WorldWideScience

Sample records for cluster states characterization

  1. Di - lambpha cluster states

    International Nuclear Information System (INIS)

    Motoba, Toshio

    1982-01-01

    The lightest (p, n, Λ) closed-shell hypernucleus sub(ΛΛ) sup(6)He can be considered as a most likely candidate for the unit of hypernuclear cluster structure. First the internal structure of lambpha, α sub(Λ) = sub(ΛΛ) sup(6)He, is investigated by solving the α + Λ + Λ three-body problem microscopically. The compact h. o. wave function (0 s) 6 is found to be a good description for α sub(Λ). Secondly, by using the fully microscopic GCM, we have demonstrated that di - α sub(Λ) cluster states constitute a characteristic rotational band of J = 0 + -- 6 + . The E2 transition rate from particle - stable 2 + to 0 + states is predicted to be 2 - order faster than the weak decay rate of this system. (author)

  2. Clustering of resting state networks.

    Directory of Open Access Journals (Sweden)

    Megan H Lee

    Full Text Available The goal of the study was to demonstrate a hierarchical structure of resting state activity in the healthy brain using a data-driven clustering algorithm.The fuzzy-c-means clustering algorithm was applied to resting state fMRI data in cortical and subcortical gray matter from two groups acquired separately, one of 17 healthy individuals and the second of 21 healthy individuals. Different numbers of clusters and different starting conditions were used. A cluster dispersion measure determined the optimal numbers of clusters. An inner product metric provided a measure of similarity between different clusters. The two cluster result found the task-negative and task-positive systems. The cluster dispersion measure was minimized with seven and eleven clusters. Each of the clusters in the seven and eleven cluster result was associated with either the task-negative or task-positive system. Applying the algorithm to find seven clusters recovered previously described resting state networks, including the default mode network, frontoparietal control network, ventral and dorsal attention networks, somatomotor, visual, and language networks. The language and ventral attention networks had significant subcortical involvement. This parcellation was consistently found in a large majority of algorithm runs under different conditions and was robust to different methods of initialization.The clustering of resting state activity using different optimal numbers of clusters identified resting state networks comparable to previously obtained results. This work reinforces the observation that resting state networks are hierarchically organized.

  3. Clustering of resting state networks.

    Science.gov (United States)

    Lee, Megan H; Hacker, Carl D; Snyder, Abraham Z; Corbetta, Maurizio; Zhang, Dongyang; Leuthardt, Eric C; Shimony, Joshua S

    2012-01-01

    The goal of the study was to demonstrate a hierarchical structure of resting state activity in the healthy brain using a data-driven clustering algorithm. The fuzzy-c-means clustering algorithm was applied to resting state fMRI data in cortical and subcortical gray matter from two groups acquired separately, one of 17 healthy individuals and the second of 21 healthy individuals. Different numbers of clusters and different starting conditions were used. A cluster dispersion measure determined the optimal numbers of clusters. An inner product metric provided a measure of similarity between different clusters. The two cluster result found the task-negative and task-positive systems. The cluster dispersion measure was minimized with seven and eleven clusters. Each of the clusters in the seven and eleven cluster result was associated with either the task-negative or task-positive system. Applying the algorithm to find seven clusters recovered previously described resting state networks, including the default mode network, frontoparietal control network, ventral and dorsal attention networks, somatomotor, visual, and language networks. The language and ventral attention networks had significant subcortical involvement. This parcellation was consistently found in a large majority of algorithm runs under different conditions and was robust to different methods of initialization. The clustering of resting state activity using different optimal numbers of clusters identified resting state networks comparable to previously obtained results. This work reinforces the observation that resting state networks are hierarchically organized.

  4. Monophyletic clustering and characterization of protein families

    Directory of Open Access Journals (Sweden)

    Zhang Jian

    2007-12-01

    Full Text Available A protein family contains sequences that are evolutionarily related. Generally, this is reflected by sequence similarity. There have been many attempts to organize the set of protein families into evolutionarily homogenous clusters using certain clustering methods. How do we characterize these clusters? How can we cluster protein families using these characterizations? In this work, these questions were addressed by use of a concept called group-wide co-evolution, and was exemplified by some real and simulated protein family data. The results have shown that the trend of a group of monophyletic proteins might be characterized by a normal distribution, while the strength and variability of this trend can be described by the sample mean and variance of the observed correlation coefficients after a suitable transformation. To exploit this property, we have developed a monophyletic clustering method called monophyletic k−medoids clustering. A software package written in R has been made available at http://www.kent.ac.uk/ims/personal/jz .

  5. Automated clustering-based workload characterization

    Science.gov (United States)

    Pentakalos, Odysseas I.; Menasce, Daniel A.; Yesha, Yelena

    1996-01-01

    The demands placed on the mass storage systems at various federal agencies and national laboratories are continuously increasing in intensity. This forces system managers to constantly monitor the system, evaluate the demand placed on it, and tune it appropriately using either heuristics based on experience or analytic models. Performance models require an accurate workload characterization. This can be a laborious and time consuming process. It became evident from our experience that a tool is necessary to automate the workload characterization process. This paper presents the design and discusses the implementation of a tool for workload characterization of mass storage systems. The main features of the tool discussed here are: (1)Automatic support for peak-period determination. Histograms of system activity are generated and presented to the user for peak-period determination; (2) Automatic clustering analysis. The data collected from the mass storage system logs is clustered using clustering algorithms and tightness measures to limit the number of generated clusters; (3) Reporting of varied file statistics. The tool computes several statistics on file sizes such as average, standard deviation, minimum, maximum, frequency, as well as average transfer time. These statistics are given on a per cluster basis; (4) Portability. The tool can easily be used to characterize the workload in mass storage systems of different vendors. The user needs to specify through a simple log description language how the a specific log should be interpreted. The rest of this paper is organized as follows. Section two presents basic concepts in workload characterization as they apply to mass storage systems. Section three describes clustering algorithms and tightness measures. The following section presents the architecture of the tool. Section five presents some results of workload characterization using the tool.Finally, section six presents some concluding remarks.

  6. The state and creative clusters

    DEFF Research Database (Denmark)

    Vang, Jan; Jakobsen, Hannes

    2013-01-01

    Studies on the spatial organisation of so-called creative industries have exploded the last decade. This has resulted in an impressive amount of research on the clustering of creative industries, their reliance on buzz and why they are based on projects, and so forth. This literature has, however...... creative industries, especially film industries outside Hollywood. Based on an original empirical study of the Danish film cluster we show how it has emerged almost from scratch and positioned itself as a noteworthy player on the global scene industry during the last 20 years. Special attention is paid...

  7. Quantification of the clustering properties of nuclear states

    International Nuclear Information System (INIS)

    Beck, R.; Dickmann, F.

    1985-05-01

    The amount of particular type of clustering in a nuclear state is defined in this paper as the norm square of the projection of the wave function onto the particular cluster model subspace. It is pointed out that, although the clusters can not be localized in space by measurement, the amount of clustering characterizes the cluster formation in close analogy with a quantum mechanical probability. The cluster model component of the wave function is proved to have a variational property. This facilitates the computation of the amount of clustering. The model dependence of the amounts of various clusterings and their relationship to the corresponding spectroscopic factors are studied via numerical examples for two models of sup(6)Li. It is concluded that, in a relative sense, the spectroscopic factor, which is more directly related to experiment, is also characteristic of the clustering contents of different states of the same nucleus, but it can not be used for comparisons between different nuclei or clusterings. (author)

  8. Dipole cluster states in light, medium heavy and heavy nuclei

    International Nuclear Information System (INIS)

    Gai, Moshe

    1984-01-01

    Tests of the Vibron cluster model in sup(18)O, sup(218)Ra and sup(156)Yb are reported, as well as a test in progress in sup(52)Ti. Low lying negative parity states which appear to be members of rotational bands of alternating parity states with enhanced B(E1) intraband deexcitation rates are found. The cluster band, within the model framework, is also characterized by large alpha decay widths and enhanced radiative deexcitation widths of several multipolarities B(E1), B(E2), B(E3). A discussion of the model and the underlying, newly suggested dipole degree of freedom is presented. (author)

  9. Peeking Network States with Clustered Patterns

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jinoh [Texas A & M Univ., Commerce, TX (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Sim, Alex [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2015-10-20

    Network traffic monitoring has long been a core element for effec- tive network management and security. However, it is still a chal- lenging task with a high degree of complexity for comprehensive analysis when considering multiple variables and ever-increasing traffic volumes to monitor. For example, one of the widely con- sidered approaches is to scrutinize probabilistic distributions, but it poses a scalability concern and multivariate analysis is not gen- erally supported due to the exponential increase of the complexity. In this work, we propose a novel method for network traffic moni- toring based on clustering, one of the powerful deep-learning tech- niques. We show that the new approach enables us to recognize clustered results as patterns representing the network states, which can then be utilized to evaluate “similarity” of network states over time. In addition, we define a new quantitative measure for the similarity between two compared network states observed in dif- ferent time windows, as a supportive means for intuitive analysis. Finally, we demonstrate the clustering-based network monitoring with public traffic traces, and show that the proposed approach us- ing the clustering method has a great opportunity for feasible, cost- effective network monitoring.

  10. Controlled quantum dialogue using cluster states

    Science.gov (United States)

    Kao, Shih-Hung; Hwang, Tzonelih

    2017-05-01

    This paper presents a new controlled quantum dialogue (CQD) protocol based on the cluster entangled states. The security analyses indicate that the proposed scheme is secure under not only various well-known attacks but also the collusive attack, where the participants may collude to communicate without the controller's permission. Compared to a previous CQD scheme, which is also robust against the conspiracy attack, the proposed protocol is more efficient in both the qubit efficiency and the hardware requirement.

  11. Radiative width of molecular-cluster states

    International Nuclear Information System (INIS)

    Alhassid, Y.; Gai, M.; Bertsch, G.F.

    1982-01-01

    Molecular states are characterized by enhanced electromagnetic deexcitations of many different multipolarities. The expected enhancement of E1, E2, and E3 transitions is examined by deriving molecular sum rules for radiative deexcitation widths and via a dimensionality approach. The enhancement of the E1 transitions is the most striking

  12. Ground-state structures of Hafnium clusters

    Energy Technology Data Exchange (ETDEWEB)

    Ng, Wei Chun; Yoon, Tiem Leong [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia); Lim, Thong Leng [Faculty of Engineering and Technoloty, Multimedia University, Melaca Campus, 75450 Melaka (Malaysia)

    2015-04-24

    Hafnium (Hf) is a very large tetra-valence d-block element which is able to form relatively long covalent bond. Researchers are interested to search for substitution to silicon in the semi-conductor industry. We attempt to obtain the ground-state structures of small Hf clusters at both empirical and density-functional theory (DFT) levels. For calculations at the empirical level, charge-optimized many-body functional potential (COMB) is used. The lowest-energy structures are obtained via a novel global-minimum search algorithm known as parallel tempering Monte-Carlo Basin-Hopping and Genetic Algorithm (PTMBHGA). The virtue of using COMB potential for Hf cluster calculation lies in the fact that by including the charge optimization at the valence shells, we can encourage the formation of proper bond hybridization, and thus getting the correct bond order. The obtained structures are further optimized using DFT to ensure a close proximity to the ground-state.

  13. Blind Quantum Signature with Controlled Four-Particle Cluster States

    Science.gov (United States)

    Li, Wei; Shi, Jinjing; Shi, Ronghua; Guo, Ying

    2017-08-01

    A novel blind quantum signature scheme based on cluster states is introduced. Cluster states are a type of multi-qubit entangled states and it is more immune to decoherence than other entangled states. The controlled four-particle cluster states are created by acting controlled-Z gate on particles of four-particle cluster states. The presented scheme utilizes the above entangled states and simplifies the measurement basis to generate and verify the signature. Security analysis demonstrates that the scheme is unconditional secure. It can be employed to E-commerce systems in quantum scenario.

  14. Low oxidation state aluminum-containing cluster anions: Cp∗AlnH-, n = 1-3

    Science.gov (United States)

    Zhang, Xinxing; Ganteför, Gerd; Eichhorn, Bryan; Mayo, Dennis; Sawyer, William H.; Gill, Ann F.; Kandalam, Anil K.; Schnöckel, Hansgeorg; Bowen, Kit

    2016-08-01

    Three new, low oxidation state, aluminum-containing cluster anions, Cp*AlnH-, n = 1-3, were prepared via reactions between aluminum hydride cluster anions, AlnHm-, and Cp*H ligands. These were characterized by mass spectrometry, anion photoelectron spectroscopy, and density functional theory based calculations. Agreement between the experimentally and theoretically determined vertical detachment energies and adiabatic detachment energies validated the computed geometrical structures. Reactions between aluminum hydride cluster anions and ligands provide a new avenue for discovering low oxidation state, ligated aluminum clusters.

  15. Characterization of Resistance Genes and Plasmids from Outbreaks and Illness Clusters Caused by Salmonella Resistant to Ceftriaxone in the United States, 2011-2012.

    Science.gov (United States)

    Folster, Jason P; Grass, Julian E; Bicknese, Amelia; Taylor, Julia; Friedman, Cindy R; Whichard, Jean M

    2017-03-01

    Salmonella is an important cause of foodborne illness; however, quickly identifying the source of these infections can be difficult, and source identification is a crucial step in preventing additional illnesses. Although most infections are self-limited, invasive salmonellosis may require antimicrobial treatment. Ceftriaxone, an extended-spectrum cephalosporin, is commonly used for treatment of salmonellosis. Previous studies have identified a correlation between the food animal/retail meat source of ceftriaxone-resistant Salmonella and the type of resistance gene and plasmid it carries. In this study, we examined seven outbreaks of ceftriaxone-resistant Salmonella infections, caused by serotypes Typhimurium, Newport, Heidelberg, and Infantis. All isolates were positive for a plasmid-encoded bla CMY gene. Plasmid incompatibility typing identified five IncI1 and two IncA/C plasmids. Both outbreaks containing bla CMY -IncA/C plasmids were linked to consumption of cattle products. Three of five outbreaks with bla CMY -IncI1 (ST12) plasmids were linked to a poultry source. The remaining IncI1 outbreaks were associated with ground beef (ST20) and tomatoes (ST12). In addition, we examined isolates from five unsolved clusters of ceftriaxone-resistant Salmonella infections and used our plasmid-encoded gene findings to predict the source. Overall, we identified a likely association between the source of ceftriaxone-resistant Salmonella outbreaks and the type of resistance gene/plasmid it carries.

  16. Characterization of population exposure to organochlorines: A cluster analysis application

    NARCIS (Netherlands)

    R.M. Guimarães (Raphael Mendonça); S. Asmus (Sven); A. Burdorf (Alex)

    2013-01-01

    textabstractThis study aimed to show the results from a cluster analysis application in the characterization of population exposure to organochlorines through variables related to time and exposure dose. Characteristics of 354 subjects in a population exposed to organochlorine pesticides residues

  17. Search for C+ C clustering in Mg ground state

    Indian Academy of Sciences (India)

    2017-01-04

    Jan 4, 2017 ... Abstract. In the backdrop of many models, the heavy cluster structure of the ground state of 24Mg has been probed experimentally for the first time using the heavy cluster knockout reaction 24Mg(12C,212C)12C in the quasifree scattering kinematic domain. In the (12C,212C) reaction, the direct ...

  18. Reduce, reuse, recycle for robust cluster-state generation

    International Nuclear Information System (INIS)

    Horsman, Clare; Brown, Katherine L.; Kendon, Vivien M.; Munro, William J.

    2011-01-01

    Efficient generation of cluster states is crucial for engineering large-scale measurement-based quantum computers. Hybrid matter-optical systems offer a robust, scalable path to this goal. Such systems have an ancilla which acts as a bus connecting the qubits. We show that by generating the cluster in smaller sections of interlocking bricks, reusing one ancilla per brick, the cluster can be produced with maximal efficiency, requiring fewer than half the operations compared with no bus reuse. By reducing the time required to prepare sections of the cluster, bus reuse more than doubles the size of the computational workspace that can be used before decoherence effects dominate. A row of buses in parallel provides fully scalable cluster-state generation requiring only 20 controlled-phase gates per bus use.

  19. Study of radicals, clusters and transition state species by anion photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Arnold, D.W.

    1994-08-01

    Free radicals, elemental and van der Waals clusters and transition state species for bimolecular chemical reactions are investigated using anion photoelectron spectroscopy. Several low-lying electronic states of ozone have been identified via photoelectron spectroscopy of O 3 - . A characterization of these states is important to models for atmospheric ozone reaction kinetics. The fluoroformyloxyl radical, FCO 2 , has been investigated, providing vibrational frequencies and energies for two electronic states. The technique has also been employed to make the first direct observation and characterization of the NNO 2 molecule. Several electronic states are observed for this species which is believed to play a role as a reactive intermediate in the N + NO 2 reaction. The experimental results for all three of these radicals are supplemented by ab initio investigations of their molecular properties. The clusters investigations include studies of elemental carbon clusters (C 2 - - C 11 - ), and van der Waals clusters (X - (CO 2 ) n , X = I, Br, Cl; n ≤ 13 and I - (N 2 O) n=1--11 ). Primarily linear clusters are observed for the smaller carbon clusters, while the spectra of the larger clusters contain contribution from cyclic anion photodetachment. Very interesting ion-solvent interactions are observed in the X - (CO 2 )n clusters. The transition state regions for several bimolecular chemical reactions have also been investigated by photodetachment of a negative ion precursor possessing a geometry similar to that of the transition state species. These spectra show features which are assigned to motions of the unstable neutral complex existing between reactants and products

  20. Study of radicals, clusters and transition state species by anion photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Arnold, Don Wesley [Univ. of California, Berkeley, CA (United States)

    1994-08-01

    Free radicals, elemental and van der Waals clusters and transition state species for bimolecular chemical reactions are investigated using anion photoelectron spectroscopy. Several low-lying electronic states of ozone have been identified via photoelectron spectroscopy of O3-. A characterization of these states is important to models for atmospheric ozone reaction kinetics. The fluoroformyloxyl radical, FCO2, has been investigated, providing vibrational frequencies and energies for two electronic states. The technique has also been employed to make the first direct observation and characterization of the NNO2 molecule. Several electronic states are observed for this species which is believed to play a role as a reactive intermediate in the N + NO2 reaction. The experimental results for all three of these radicals are supplemented by ab initio investigations of their molecular properties. The clusters investigations include studies of elemental carbon clusters (C2- - C11-), and van der Waals clusters (X-(CO2)n, X = I, Br, Cl; n {le} 13 and I- (N2O)n=1--11). Primarily linear clusters are observed for the smaller carbon clusters, while the spectra of the larger clusters contain contribution from cyclic anion photodetachment. Very interesting ion-solvent interactions are observed in the X-(CO2)n clusters. The transition state regions for several bimolecular chemical reactions have also been investigated by photodetachment of a negative ion precursor possessing a geometry similar to that of the transition state species. These spectra show features which are assigned to motions of the unstable neutral complex existing between reactants and products.

  1. Hybrid cluster state proposal for a quantum game

    International Nuclear Information System (INIS)

    Paternostro, M; Tame, M S; Kim, M S

    2005-01-01

    We propose an experimental implementation of a quantum game algorithm in a hybrid scheme combining the quantum circuit approach and the cluster state model. An economical cluster configuration is suggested to embody a quantum version of the Prisoners' Dilemma. Our proposal is shown to be within the experimental state of the art and can be realized with existing technology.The effects of relevant experimental imperfections are also carefully examined

  2. Hybrid cluster state proposal for a quantum game

    Energy Technology Data Exchange (ETDEWEB)

    Paternostro, M; Tame, M S; Kim, M S [School of Mathematics and Physics, The Queen' s University, Belfast BT7 1NN (United Kingdom)

    2005-10-15

    We propose an experimental implementation of a quantum game algorithm in a hybrid scheme combining the quantum circuit approach and the cluster state model. An economical cluster configuration is suggested to embody a quantum version of the Prisoners' Dilemma. Our proposal is shown to be within the experimental state of the art and can be realized with existing technology.The effects of relevant experimental imperfections are also carefully examined.

  3. Characterization of an M-Cluster-Substituted Nitrogenase VFe Protein.

    Science.gov (United States)

    Rebelein, Johannes G; Lee, Chi Chung; Newcomb, Megan; Hu, Yilin; Ribbe, Markus W

    2018-03-13

    The Mo- and V-nitrogenases are two homologous members of the nitrogenase family that are distinguished mainly by the presence of different heterometals (Mo or V) at their respective cofactor sites (M- or V-cluster). However, the V-nitrogenase is ~600-fold more active than its Mo counterpart in reducing CO to hydrocarbons at ambient conditions. Here, we expressed an M-cluster-containing, hybrid V-nitrogenase in Azotobacter vinelandii and compared it to its native, V-cluster-containing counterpart in order to assess the impact of protein scaffold and cofactor species on the differential reactivities of Mo- and V-nitrogenases toward CO. Housed in the VFe protein component of V-nitrogenase, the M-cluster displayed electron paramagnetic resonance (EPR) features similar to those of the V-cluster and demonstrated an ~100-fold increase in hydrocarbon formation activity from CO reduction, suggesting a significant impact of protein environment on the overall CO-reducing activity of nitrogenase. On the other hand, the M-cluster was still ~6-fold less active than the V-cluster in the same protein scaffold, and it retained its inability to form detectable amounts of methane from CO reduction, illustrating a fine-tuning effect of the cofactor properties on this nitrogenase-catalyzed reaction. Together, these results provided important insights into the two major determinants for the enzymatic activity of CO reduction while establishing a useful framework for further elucidation of the essential catalytic elements for the CO reactivity of nitrogenase. IMPORTANCE This is the first report on the in vivo generation and in vitro characterization of an M-cluster-containing V-nitrogenase hybrid. The "normalization" of the protein scaffold to that of the V-nitrogenase permits a direct comparison between the cofactor species of the Mo- and V-nitrogenases (M- and V-clusters) in CO reduction, whereas the discrepancy between the protein scaffolds of the Mo- and V-nitrogenases (MoFe and VFe

  4. Quantization State of Baryonic Mass in Clusters of Galaxies

    Directory of Open Access Journals (Sweden)

    Potter F.

    2007-01-01

    Full Text Available The rotational velocity curves for clusters of galaxies cannot be explained by Newtonian gravitation using the baryonic mass nor does MOND succeed in reducing this discrepancy to acceptable differences. The dark matter hypothesis appears to offer a solution; however, non-baryonic dark matter has never been detected. As an alternative approach, quantum celestial mechanics (QCM predicts that galactic clusters are in quantization states determined solely by the total baryonic mass of the cluster and its total angular momentum. We find excellent agreement with QCM for ten galactic clusters, demonstrating that dark matter is not needed to explain the rotation velocities and providing further support to the hypothesis that all gravitationally bound systems have QCM quantization states.

  5. Cluster expansion for ground states of local Hamiltonians

    Directory of Open Access Journals (Sweden)

    Alvise Bastianello

    2016-08-01

    Full Text Available A central problem in many-body quantum physics is the determination of the ground state of a thermodynamically large physical system. We construct a cluster expansion for ground states of local Hamiltonians, which naturally incorporates physical requirements inherited by locality as conditions on its cluster amplitudes. Applying a diagrammatic technique we derive the relation of these amplitudes to thermodynamic quantities and local observables. Moreover we derive a set of functional equations that determine the cluster amplitudes for a general Hamiltonian, verify the consistency with perturbation theory and discuss non-perturbative approaches. Lastly we verify the persistence of locality features of the cluster expansion under unitary evolution with a local Hamiltonian and provide applications to out-of-equilibrium problems: a simplified proof of equilibration to the GGE and a cumulant expansion for the statistics of work, for an interacting-to-free quantum quench.

  6. Solid state and aqueous behavior of uranyl peroxide cage clusters

    Science.gov (United States)

    Pellegrini, Kristi Lynn

    Uranyl peroxide cage clusters include a large family of more than 50 published clusters of a variety of sizes, which can incorporate various ligands including pyrophosphate and oxalate. Previous studies have reported that uranyl clusters can be used as a method to separate uranium from a solid matrix, with potential applications in reprocessing of irradiated nuclear fuel. Because of the potential applications of these novel structures in an advanced nuclear fuel cycle and their likely presence in areas of contamination, it is important to understand their behavior in both solid state and aqueous systems, including complex environments where other ions are present. In this thesis, I examine the aqueous behavior of U24Pp 12, as well as aqueous cluster systems with added mono-, di-, and trivalent cations. The resulting solutions were analyzed using dynamic light scattering and ultra-small angle X-ray scattering to evaluate the species in solution. Precipitates of these systems were analyzed using powder X-ray diffraction, X-ray fluorescence spectrometry, and Raman spectroscopy. The results of these analyses demonstrate the importance of cation size, charge, and concentration of added cations on the aqueous behavior of uranium macroions. Specifically, aggregates of various sizes and shapes form rapidly upon addition of cations, and in some cases these aggregates appear to precipitate into an X-ray amorphous material that still contains U24Pp12 clusters. In addition, I probe aggregation of U24Pp12 and U60, another uranyl peroxide cage cluster, in mixed solvent water-alcohol systems. The aggregation of uranyl clusters in water-alcohol systems is a result of hydrogen bonding with polar organic molecules and the reduction of the dielectric constant of the system. Studies of aggregation of uranyl clusters also allow for comparison between the newer uranyl polyoxometalate family and century-old transition metal polyoxometalates. To complement the solution studies of uranyl

  7. Alpha particle cluster states in (fp)-shell nuclei

    International Nuclear Information System (INIS)

    Merchant, A.C.

    1987-07-01

    Alpha particle cluster structure is known experimentally to persist throughout the mass range 16 ≤ A ≤ 20, and has been very successfully described in this region in terms of the Buck-Dover-Vary local potential cluster model. It is argued that an analogous cluster structure should be present in nuclei at the beginning of the (fp) - shell, and the available experimental data are examined to determine likely alpha particle cluster state candidates in the mass range 40 ≤ A ≤ 44. Calculations of the cluster state spectra and mean square cluster-core separation distances (which may be readily used to evaluate E2 electromagnetic transition rates) for sup(40)Ca, sup(42)Ca, sup(42)Sc, sup(43)Sc, sup(43)Ti and sup(44)Ti using the above mentioned model are presented, and compared with experimental measurements where possible. The agreement between theory and experiment is generally good (although inferior to that obtained in the (sd)-shell) and points to the desirability of an extension and improvement of the measurements of the properties of the excited states in these nuclei. (author)

  8. Low oxidation state aluminum-containing cluster anions: Cp(∗)AlnH(-), n = 1-3.

    Science.gov (United States)

    Zhang, Xinxing; Ganteför, Gerd; Eichhorn, Bryan; Mayo, Dennis; Sawyer, William H; Gill, Ann F; Kandalam, Anil K; Schnöckel, Hansgeorg; Bowen, Kit

    2016-08-21

    Three new, low oxidation state, aluminum-containing cluster anions, Cp*AlnH(-), n = 1-3, were prepared via reactions between aluminum hydride cluster anions, AlnHm (-), and Cp*H ligands. These were characterized by mass spectrometry, anion photoelectron spectroscopy, and density functional theory based calculations. Agreement between the experimentally and theoretically determined vertical detachment energies and adiabatic detachment energies validated the computed geometrical structures. Reactions between aluminum hydride cluster anions and ligands provide a new avenue for discovering low oxidation state, ligated aluminum clusters.

  9. Three-body cluster state in 11B

    International Nuclear Information System (INIS)

    Kawabata, T.; Akimune, H.; Fujita, H.; Fujita, Y.; Fujiwara, M.; Hara, K.; Hatanaka, K.; Itoh, M.; Kanada-En'yo, Y.; Kishi, S.; Nakanishi, K.; Sakaguchi, H.; Shimbara, Y.; Tamii, A.; Terashima, S.; Uchida, M.; Wakasa, T.; Yasuda, Y.; Yoshida, H.P.; Yosoi, M.

    2007-01-01

    The cluster structures of the excited states in 11 B are studied by analyzing the isoscalar monopole and quadrupole strengths in the 11 B(d,d ' ) reaction at E d =200 MeV. The excitation strengths are compared with the predictions by the shell-model and antisymmetrized molecular-dynamics (AMD) calculations. It is found that the large monopole strength for the 3/2 3 - state at E x =8.56 MeV is well described by the AMD calculation and is an evidence for a developed three-body 2α+t cluster structure

  10. Generation of cluster states with Josephson charge qubits

    International Nuclear Information System (INIS)

    Zheng, Xiao-Hu; Dong, Ping; Xue, Zheng-Yuan; Cao, Zhuo-Liang

    2007-01-01

    A scheme for the generation of the cluster states based on the Josephson charge qubits is proposed. The two-qubit generation case is introduced first, and then generalized to multi-qubit case. The successful probability and fidelity of current multi-qubit cluster state are both 1.0. The scheme is simple and can be easily manipulated, because any two charge qubits can be selectively and effectively coupled by a common inductance. More manipulations can be realized before decoherence sets in. All the devices in the scheme are well within the current technology

  11. DIVERSE PROTOSTELLAR EVOLUTIONARY STATES IN THE YOUNG CLUSTER AFGL961

    International Nuclear Information System (INIS)

    Williams, Jonathan P.; Mann, Rita K.; Beaumont, Christopher N.; Swift, Jonathan J.; Adams, Joseph D.; Hora, Joe; Kassis, Marc; Lada, Elizabeth A.; Roman-Zuniga, Carlos G.

    2009-01-01

    We present arcsecond resolution mid-infrared and millimeter observations of the center of the young stellar cluster AFGL961 in the Rosette molecular cloud. Within 0.2 pc of each other, we find an early B star embedded in a dense core, a neighboring star of similar luminosity with no millimeter counterpart, a protostar that has cleared out a cavity in the circumcluster envelope, and two massive, dense cores with no infrared counterparts. An outflow emanates from one of these cores, indicating a deeply embedded protostar, but the other is starless, bound, and appears to be collapsing. The diversity of states implies either that protostellar evolution is faster in clusters than in isolation or that clusters form via quasi-static rather than dynamic collapse. The existence of a pre-stellar core at the cluster center shows that some star formation continues after and in close proximity to massive, ionizing stars.

  12. Preparation and characterization of Au nanoparticles capped with mercaptocarboranyl clusters.

    Science.gov (United States)

    Cioran, Ana M; Teixidor, Francesc; Krpetić, Željka; Brust, Mathias; Viñas, Clara

    2014-04-07

    The preparation of 3-4 nm and 10 nm gold nanoparticles capped with neutral carborane-based mercaptocarboranes, via two different preparative routes, is reported. The resulting boron-enriched nanomaterials exhibit complete dispersibility in water, opening the way for the use of these monolayer protected clusters (MPCs) in medical applications, such as boron neutron capture therapy (BNCT). These newly prepared MPCs have been characterized by FTIR, (1)H and (11)B NMR spectroscopy, UV-visible, centrifugal particle sizing (CPS), and, in some cases, inductively coupled plasma atomic emission spectrometry (ICP-AES). Water dispersibility exhibited by these MPCs allowed the study of the cellular uptake by HeLa cells.

  13. Synthesis and characterization of metal sulfide clusters for toxicological studies.

    Science.gov (United States)

    Bowles, L C; Bell, Russell A; Ernste, Michael J; Kramer, James R; Manolopoulos, Helen; Ogden, Nancy

    2002-04-01

    Zinc sulfide clusters were synthesized and characterized at low micromolar concentrations to assess the effect of metal-sulfide ligands on metal toxicity to aquatic organisms in oxic environments. Recommended preparation times are greater than 2 h initial reaction of equimolar sodium sulfide and zinc nitrate, followed by oxic aeration for 3 d. Ionic strength, pH, and anoxic stabilization time were found to be relatively unimportant in controlling the final yield. Adsorptive losses of zinc sulfide (ZnS) clusters to surfaces, however, were significant for a variety of vessel materials and membrane filters. Ionic strength and pH were found to be important factors controlling the extent of adsorptive losses with minimal loss for pHs greater than 9 and for soft waters. The Ag(I), Cu(II), and Hg(II) as metal sulfides completely suppress the analysis of sulfide, whereas Pb(II), Mn(II), and Co(II) partially suppress the analysis of sulfide by the methylene blue technique. Ultraviolet and fluorescence spectra are shown for synthesized ZnS clusters.

  14. Excited electronic state decomposition mechanisms of clusters of ...

    Indian Academy of Sciences (India)

    Excited electronic state decomposition mechanisms of clusters of dimethylnitramine and aluminum. ANUPAM BERA and ATANU BHATTACHARYA. ∗. Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012, India e-mail: atanub@ipc.iisc.ernet.in. MS received 5 September 2014; ...

  15. An entanglement concentration protocol for cluster states using ...

    Indian Academy of Sciences (India)

    Abstract. The purpose of this paper is a proposal on entanglement concentration protocol for cluster states. The protocol uses CNOT gate operation and is assisted with a single qubit. Moreover, the local and non-local operations are performed by a single party. We also make a comparative numerical study of the residual ...

  16. Search for C+ C clustering in Mg ground state

    Indian Academy of Sciences (India)

    2017-01-04

    12C+12C) structure models for the ground state of 24Mg. Keywords. Direct nuclear reactions; heavy cluster knockout; structure of 24Mg(g.s); C–C optical potential. PACS Nos 24.50.+g; 24.10.Eq; 24.10.Ht; 25.40.−h; 25.40.Cl; 25.60.−t.

  17. Excited electronic state decomposition mechanisms of clusters of ...

    Indian Academy of Sciences (India)

    In this report, electronically non-adiabatic decomposition pathways of clusters of dimethylnitramine and aluminum (DMNA-Al and DMNA-Al2) are discussed in comparison to isolated dimethylnitramine (DMNA). Electronically excited state processes of DMNA-Al and DMNA-Al2 are explored using the complete active space ...

  18. Two-phonon states in alkali-metal clusters

    International Nuclear Information System (INIS)

    Abada, A.; Vautherin, D.

    1992-12-01

    Two phonon-states of alkali-metal clusters (treated as jellium spheres) are calculated by using a method based on a perturbative construction of periodic orbits of the time-dependent mean-field equations. Collective vibrations with various multipolarities in charged Na 21 + are considered. (author) 26 refs.; 2 figs.; 3 tabs

  19. New topologies in pentanuclear nickel/oximato clusters: structural and magnetic characterization.

    Science.gov (United States)

    Esteban, Jordi; Font-Bardia, Mercè; Costa, José Sánchez; Teat, Simon J; Escuer, Albert

    2014-03-17

    In the present work, five new Ni5 clusters employing the versatile 2-pyridylcyanoxime ligand have been synthesized and chemically, structurally, and magnetically characterized. The crystallographic examination of these Ni5 clusters together with those already published in the literature, giving a total number of 14 complexes, exhibiting up to 8 different topologies for which the relationship between topology, reaction conditions and magnetic response has been analyzed. DC magnetic measurements were carried in the 300-2 K range for the new complexes and the analysis of the experimental data revealed an antiferromagnetic response for the oximato mediated interactions with a variety of ground states (S = 0, 1, 3) as function of the cluster topology.

  20. Workload Characterization of a Leadership Class Storage Cluster

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Youngjae [ORNL; Gunasekaran, Raghul [ORNL; Shipman, Galen M [ORNL; Dillow, David A [ORNL; Zhang, Zhe [ORNL; Settlemyer, Bradley W [ORNL

    2010-01-01

    Understanding workload characteristics is critical for optimizing and improving the performance of current systems and software, and architecting new storage systems based on observed workload patterns. In this paper, we characterize the scientific workloads of the world s fastest HPC (High Performance Computing) storage cluster, Spider, at the Oak Ridge Leadership Computing Facility (OLCF). Spider provides an aggregate bandwidth of over 240 GB/s with over 10 petabytes of RAID 6 formatted capacity. OLCFs flagship petascale simulation platform, Jaguar, and other large HPC clusters, in total over 250 thousands compute cores, depend on Spider for their I/O needs. We characterize the system utilization, the demands of reads and writes, idle time, and the distribution of read requests to write requests for the storage system observed over a period of 6 months. From this study we develop synthesized workloads and we show that the read and write I/O bandwidth usage as well as the inter-arrival time of requests can be modeled as a Pareto distribution.

  1. Normalized cut group clustering of resting-state FMRI data.

    Directory of Open Access Journals (Sweden)

    Martijn van den Heuvel

    Full Text Available BACKGROUND: Functional brain imaging studies have indicated that distinct anatomical brain regions can show coherent spontaneous neuronal activity during rest. Regions that show such correlated behavior are said to form resting-state networks (RSNs. RSNs have been investigated using seed-dependent functional connectivity maps and by using a number of model-free methods. However, examining RSNs across a group of subjects is still a complex task and often involves human input in selecting meaningful networks. METHODOLOGY/PRINCIPAL FINDINGS: We report on a voxel based model-free normalized cut graph clustering approach with whole brain coverage for group analysis of resting-state data, in which the number of RSNs is computed as an optimal clustering fit of the data. Inter-voxel correlations of time-series are grouped at the individual level and the consistency of the resulting networks across subjects is clustered at the group level, defining the group RSNs. We scanned a group of 26 subjects at rest with a fast BOLD sensitive fMRI scanning protocol on a 3 Tesla MR scanner. CONCLUSIONS/SIGNIFICANCE: An optimal group clustering fit revealed 7 RSNs. The 7 RSNs included motor/visual, auditory and attention networks and the frequently reported default mode network. The found RSNs showed large overlap with recently reported resting-state results and support the idea of the formation of spatially distinct RSNs during rest in the human brain.

  2. The hybrid-cluster protein ('prismane protein') from Escherichia coli. Characterization of the hybrid-cluster protein, redox properties of the [2Fe-2S] and [4Fe-2S-2O] clusters and identification of an associated NADH oxidoreductase containing FAD and[2Fe-2S

    NARCIS (Netherlands)

    Berg, van den W.A.M.; Hagen, W.R.; Dongen, van W.M.A.M.

    2000-01-01

    Hybrid-cluster proteins ('prismane proteins') have previously been isolated and characterized from strictly anaerobic sulfate-reducing bacteria. These proteins contain two types of Fe/S clusters unique in biological systems: a [4Fe-4S] cubane cluster with spin-admixed S = 3/2 ground-state

  3. Asymmetric electroresistance of cluster glass state in manganites

    KAUST Repository

    Lourembam, James

    2014-03-31

    We report the electrostatic modulation of transport in strained Pr0.65(Ca0.75Sr0.25)0.35MnO3 thin films grown on SrTiO3 by gating with ionic liquid in electric double layer transistors (EDLT). In such manganite films with strong phase separation, a cluster glass magnetic state emerges at low temperatures with a spin freezing temperature of about 99 K, which is accompanied by the reentrant insulating state with high resistance below 30 K. In the EDLT, we observe bipolar and asymmetric modulation of the channel resistance, as well as an enhanced electroresistance up to 200% at positive gate bias. Our results provide insights on the carrier-density-dependent correlated electron physics of cluster glass systems.

  4. Production and characterization of supersonic carbon cluster beams

    International Nuclear Information System (INIS)

    Rohlfing, E.A.; Cox, D.M.; Kaldor, A.

    1984-01-01

    Laser vaporization of a substrate within the throat of a pulsed nozzle is used to generate a supersonic beam of carbon clusters. The neutral cluster beam is probed downstream by UV laser photoionization with time-of-flight mass analysis of the resulting photoions. Using graphite as the substrate, carbon clusters C/sub n/ for n = 1--190 have been produced having a distinctly bimodal cluster size distribution: (i) Both even and odd clusters for C/sub n/, 1 + /sub n/ signals are interpreted on the basis of cluster formation and stability arguments. Ionizing laser power dependences taken at several different photon energies are used to roughly bracket the carbon cluster ionization potentials, and, at high laser intensity, to observe the onset of multiphoton fragmentation. By treating the graphite rod with KOH, a greatly altered carbon cluster distribution with mixed carbon/potassium clusters of formula K 2 C/sub 2n/ is produced

  5. 2α + t cluster state in 11B

    International Nuclear Information System (INIS)

    Kawabata, T; Akimune, H; Fujita, H; Fujita, Y; Fujiwara, M; Hara, K; Hatanaka, K; Itoh, M; Kanada-En'yo, Y; Kishi, S; Nakanishi, K; Sakaguchi, H; Shimbara, Y; Tamii, A; Terashima, S; Uchida, M; Wakasa, T; Yasuda, Y; Yoshida, H P; Yosoi, M

    2006-01-01

    The cluster structures of the excited states in 11 B are studied by analyzing the isoscalar monopole and quadrupole strengths in the 11 B(d, d') reaction at E d = 200 MeV. The excitation strengths are compared with the theoretical predictions by the antisymmetrized molecular-dynamics (AMD) calculations. It is found that the large monopole strength for the 3/2 - 3 state at E x = 8.56 MeV is well described by the AMD wave function with a dilute 2α + tcluster structure

  6. Structural oxidation state studies of the manganese cluster in the oxygen evolving complex of photosystem II

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Wenchuan [Univ. of California, Berkeley, CA (United States)

    1994-11-01

    X-ray absorption spectroscopy (XAS) was performed on Photosystem II (PSII)-enriched membranes prepared from spinach to explore: (1) the correlation between structure and magnetic spin state of the Mn cluster in the oxygen evolving complex (OEC) in the S2 state; and (2) the oxidation state changes of the Mn cluster in the flash-induced S-states. The structure of the Mn cluster in the S2 state with the g~4 electron paramagnetic resonance (EPR) signal (S2-g4 state) was compared with that in the S2 state with multiline signal (S2-MLS state) and the S1 state. The S2-g4 state has a higher XAS inflection point energy than that of the S1 state, indicating the oxidation of Mn in the advance from the S1 to the S2-g4 state. Differences in the edge shape and in the extended X-ray absorption fine structure (EXAFS) show that the structure of the Mn cluster in the S2-g4 state is different from that in the S2-MLS or the S1 state. In the S2-g4 state, the second shell of backscatterers from the Mn absorber contains two Mn-Mn distances of 2.73 Å and 2.85 Å. Very little distance disorder exists in the second shell of the S1 or S2-MLS states. The third shell of the S2-g4 state at about 3.3 Å also contains increased heterogeneity relative to that of the S2-MLS or the S1 state. Various S-states were prepared at room-temperature by saturating, single-turnover flashes. The flash-dependent oscillation in the amplitude of the MLS was used to characterize the S-state composition and to construct "pure" S-state Mn K-edge spectra. The edge position shifts to higher energy by 1.8 eV upon the S1 → S2 transition.

  7. Cluster-state quantum computation: the role of entanglement

    Energy Technology Data Exchange (ETDEWEB)

    Annovi, Filippo [Department of Philosophy, University of Bologna (Italy)

    2013-07-01

    Cluster-state quantum computation is computationally equivalent to the traditional circuit model, but the pictures of computational processes outlined by the two are radically different. Here are investigated some of the consequences of this situation for the explanation of the quantum speed-up, whit particular regard to the role played by entanglement. At first sight, the evolution of a cluster-state computer seems to be disentangling (at each step one qubit is measured and discarded), but in a fully-unitary dynamical account it appears to be entangling (at each step a correlation is established between one qubit and its respective recorder). It is thus suggested that the different uses made of the features of quantum systems by the two frameworks, do not rule out the thesis that the speed-up is achieved by means of an entangling transformation. However, in this last case entanglement is created step by step, and thus the main difference between the two frameworks seems to remain the absence of ''quantum parallelism''. The only entangling-generating unitary transformations acting at the same time on all the qubits are the controlled-phase operation involved in the preparation of the cluster. Thus, the explanation of the quantum speed-up should be looked for just in these type of transformations.

  8. Proposal for demonstration of long-range cluster state entanglement in the presence of photon loss

    Directory of Open Access Journals (Sweden)

    Thomas Nutz

    2017-06-01

    Full Text Available Photonic cluster states are a crucial resource for optical quantum computing. Recently a quantum dot single photon source has been demonstrated to produce strings of single photons in a small linear cluster state. Sources of this kind could produce much larger cluster states, but high photon loss rates make it impossible to characterize the entanglement generated by quantum state tomography. We present a benchmarking method for such sources that can be used to demonstrate useful long-range entanglement with currently available collection/detection efficiencies below 1%. The measurement of the polarization state of single photons in different bases can provide an estimate for the three-qubit correlation function ⟨ZXZ⟩. This value constrains correlations spanning more than three qubits, which in turn provide a lower bound for the localizable entanglement between any two qubits in the large state produced by the source. Finite localizable entanglement can be established by demonstrating ⟨ZXZ⟩>23. This result enables photonic experiments demonstrating computationally useful entanglement with currently available technology.

  9. Dispersed metal cluster catalysts by design. Synthesis, characterization, structure, and performance

    Energy Technology Data Exchange (ETDEWEB)

    Arslan, Ilke [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Dixon, David A. [Univ. of Alabama, Tuscaloosa, AL (United States); Gates, Bruce C. [Univ. of California, Davis, CA (United States); Katz, Alexander [Univ. of California, Berkeley, CA (United States)

    2015-09-30

    To understand the class of metal cluster catalysts better and to lay a foundation for the prediction of properties leading to improved catalysts, we have synthesized metal catalysts with well-defined structures and varied the cluster structures and compositions systematically—including the ligands bonded to the metals. These ligands include supports and bulky organics that are being tuned to control both the electron transfer to or from the metal and the accessibility of reactants to influence catalytic properties. We have developed novel syntheses to prepare these well-defined catalysts with atomic-scale control the environment by choice and placement of ligands and applied state-of-the art spectroscopic, microscopic, and computational methods to determine their structures, reactivities, and catalytic properties. The ligands range from nearly flat MgO surfaces to enveloping zeolites to bulky calixarenes to provide controlled coverages of the metal clusters, while also enforcing unprecedented degrees of coordinative unsaturation at the metal site—thereby facilitating bonding and catalysis events at exposed metal atoms. With this wide range of ligand properties and our arsenal of characterization tools, we worked to achieve a deep, fundamental understanding of how to synthesize robust supported and ligand-modified metal clusters with controlled catalytic properties, thereby bridging the gap between active site structure and function in unsupported and supported metal catalysts. We used methods of organometallic and inorganic chemistry combined with surface chemistry for the precise synthesis of metal clusters and nanoparticles, characterizing them at various stages of preparation and under various conditions (including catalytic reaction conditions) and determining their structures and reactivities and how their catalytic properties depend on their compositions and structures. Key characterization methods included IR, NMR, and EXAFS spectroscopies to identify

  10. Relationships and Centrality in a Cluster of the Milk Production Network in the State of Parana/Brazil

    OpenAIRE

    Menegassi Lima, Elizangela,; Pona, Jorge,; Sacomano, Jose,; Reis, João,; Lobo, Debora,

    2015-01-01

    Part 1: Collaborative Networks; International audience; The objective of this research is to evaluate the relationships of the network formed by the important milk cluster in the city of Umuarama, State of Parana (PR)/BRAZIL, using the Social Network Analysis (SNA) focusing on the collective gains and competitive advantages of this cluster. The methodology used was qualitative and quantitative. Questionnaires were applied to the network for the characterization of the existing relationships b...

  11. Low oxidation state aluminum-containing cluster anions: LAlH-and LAln-(n = 2-4, L = N[Si(Me)3]2).

    Science.gov (United States)

    Zhang, Xinxing; Wang, Linjie; Montone, Georgia R; Gill, Ann F; Ganteför, Gerd; Eichhorn, Bryan; Kandalam, Anil K; Bowen, Kit H

    2017-06-14

    Several low oxidation state aluminum-containing cluster anions, LAlH - and LAl n - (n = 2-4, L = N[Si(Me) 3 ] 2 ), were produced via reactions between aluminum hydride cluster anions, Al x H y - , and hexamethyldisilazane (HMDS). These clusters were characterized by mass spectrometry, anion photoelectron spectroscopy, and density functional theory (DFT) based calculations. Agreement between the experimental and theoretical vertical detachment energies (VDEs) and adiabatic detachment energies (ADEs) validated the computed geometrical structures. Reactions between aluminum hydride cluster anions and ligands promise to be a new synthetic scheme for low oxidation state, ligated aluminum clusters.

  12. Synthesis and Characterization of Cluster-Derived Supported Bimetallic Catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Adams, Richard D; Amiridis, Michael D

    2008-10-10

    New procedures have been developed for synthesizing di- and tri-metallic cluster complexes. The chemical properties of the new complexes have been investigated, particularly toward the activation of molecular hydrogen. These complexes were then converted into bi- and tri-metallic nanoparticles on silica and alumina supports. These nanoparticles were characterized by electron microscopy and were then tested for their ability to produce catalytic hydrogenation of unsaturated hydrocarbons and for the preferential oxidation of CO in the presence of hydrogen. The bi- and tri-metallic nanoparticles exhibited far superior activity and selectivity as hydrogenation catalysts when compared to the individual metallic components. It was found that the addition of tin greatly improved the selectivity of the catalysts for the hydrogenation of polyolefins. The addition of iron improves the catalysts for the selective oxidation of CO by platinum in the presence of hydrogen. The observations should lead to the development of lower cost routes to molecules that can be used to produce polymers and plastics for use by the general public and for procedures to purify hydrogen for use as an alternative energy in the hydrogen economy of the future.

  13. Quantum picturalism for topological cluster-state computing

    International Nuclear Information System (INIS)

    Horsman, Clare

    2011-01-01

    Topological quantum computing (QC) is a way of allowing precise quantum computations to run on noisy and imperfect hardware. One implementation uses surface codes created by forming defects in a highly-entangled cluster state. Such a method of computing is a leading candidate for large-scale QC. However, there has been a lack of sufficiently powerful high-level languages to describe computing in this form without resorting to single-qubit operations, which quickly become prohibitively complex as the system size increases. In this paper, we apply the category-theoretic work of Abramsky and Coecke to the topological cluster-state model of QC to give a high-level graphical language that enables direct translation between quantum processes and physical patterns of measurement in a computer-a 'compiler language'. We give the equivalence between the graphical and topological information flows, and show the applicable rewrite algebra for this computing model. We show that this gives us a native graphical language for the design and analysis of topological quantum algorithms, and finish by discussing the possibilities for automating this process on a large scale.

  14. Wavelet-based clustering of resting state MRI data in the rat

    Science.gov (United States)

    Medda, Alessio; Hoffmann, Lukas; Magnuson, Matthew; Thompson, Garth; Pan, Wen-Ju; Keilholz, Shella

    2015-01-01

    While functional connectivity has typically been calculated over the entire length of the scan (5-10 min), interest has been growing in dynamic analysis methods that can detect changes in connectivity on the order of cognitive processes (seconds). Previous work with sliding window correlation has shown that changes in functional connectivity can be observed on these time scales in the awake human and in anesthetized animals. This exciting advance creates a need for improved approaches to characterize dynamic functional networks in the brain. Previous studies were performed using sliding window analysis on regions of interest defined based on anatomy or obtained from traditional steady-state analysis methods. The parcellation of the brain may therefore be suboptimal, and the characteristics of the time-varying connectivity between regions are dependent upon the length of the sliding window chosen. This manuscript describes an algorithm based on wavelet decomposition that allows data-driven clustering of voxels into functional regions based on temporal and spectral properties. Previous work has shown that different networks have characteristic frequency fingerprints, and the use of wavelets ensures that both the frequency and the timing of the BOLD fluctuations are considered during the clustering process. The method was applied to resting state data acquired from anesthetized rats, and the resulting clusters agreed well with known anatomical areas. Clusters were highly reproducible across subjects. Wavelet cross-correlation values between clusters from a single scan were significantly higher than the values from randomly-matched clusters that shared no temporal information, indicating that wavelet-based analysis is sensitive to the relationship between areas. PMID:26481903

  15. Geographical Clusters and Predictors of Rabies in Three Southeastern States.

    Science.gov (United States)

    Reilly, Sara; Sanderson, Wayne T; Christian, W Jay; Browning, Steven R

    2017-06-01

    The rabies virus causes progressive encephalomyelitis that is fatal in nearly 100% of untreated cases. In the United States, wildlife act as the primary reservoir for rabies; prevention, surveillance, and control costs remain high. The purpose of this study is to understand the current distribution of wildlife rabies in three southeastern states, with particular focus on raccoons as the primary eastern reservoir, as well as identify demographic and geographic factors which may affect the risk of human exposure. This ecologic study obtained county-level rabies surveillance data from state health departments and the United States Department of Agriculture Wildlife services for North Carolina, Virginia, and West Virginia from 2010 to 2013. A spatial statistical analysis was performed to identify county clusters with high or low rates of raccoon rabies in the three states. Potential demographic and geographic factors associated with these varying rates of rabies were assessed using a multivariable negative binomial regression model. In North Carolina, raccoons constituted 50% of positive tests, in Virginia, 49%, and in West Virginia, 50%. Compared to persons residing in West Virginia counties, persons in North Carolina counties had 1.67 times the risk of exposure (p rabies exposure. Further research is needed to better understand the effect of the oral rabies vaccine program in controlling the risk of human exposure to raccoon rabies.

  16. Application of cluster analysis and unsupervised learning to multivariate tissue characterization

    International Nuclear Information System (INIS)

    Momenan, R.; Insana, M.F.; Wagner, R.F.; Garra, B.S.; Loew, M.H.

    1987-01-01

    This paper describes a procedure for classifying tissue types from unlabeled acoustic measurements (data type unknown) using unsupervised cluster analysis. These techniques are being applied to unsupervised ultrasonic image segmentation and tissue characterization. The performance of a new clustering technique is measured and compared with supervised methods, such as a linear Bayes classifier. In these comparisons two objectives are sought: a) How well does the clustering method group the data?; b) Do the clusters correspond to known tissue classes? The first question is investigated by a measure of cluster similarity and dispersion. The second question involves a comparison with a supervised technique using labeled data

  17. α cluster structures in unbound states in 19Ne

    Science.gov (United States)

    Otani, Reiji; Iwasaki, Masataka; Ito, Makoto

    2016-06-01

    Cluster structures in 19Ne are studied by the microscopic and macroscopic cluster models. In the microscopic calculation, the coupled-channels problem of (3He+16O) + (α+15O) is solved, and the adiabatic energy surfaces, which are the series of the energy eigenvalues as a function of the He-O distance, are investigated. In the adiabatic energy curves, the several local minima are generated in the spatial region of the small core distance, where the neutron hole inside of the He or O nucleus is strongly coupled to the residual nuclei. The energy spectra, which are constructed from the strong coupling states, nicely reproduce the the low-lying energy levels in the 19Ne nucleus. In the macroscopic approach, the α + 15O potential is evaluated from the elastic scattering of the α + 15N system, and the resonant levels of the α + 15O system are calculated under the absorbing boundary condition. The potential model predicts the existence of the resonances above the α threshold, which has a weak-coupling scheme of the α particle and one hole inside of the 16O nucleus. The extended microscopic calculations of (3He+16O) + (α+15O) + (5He+14O) are performed in order to see the coupling effect of the 5p-2h configuration, which corresponds to the shell model limit of the 5He + 14O cluster configuration. The extended calculation suggests that the 5He + 14O configuration plays an important role on the formation of the 3/2+ resonance at 0.5 MeV with respect to the α threshold.

  18. α cluster structures in unbound states in 19Ne

    Directory of Open Access Journals (Sweden)

    Otani Reiji

    2016-01-01

    Full Text Available Cluster structures in 19Ne are studied by the microscopic and macroscopic cluster models. In the microscopic calculation, the coupled-channels problem of (3He+16O + (α+15O is solved, and the adiabatic energy surfaces, which are the series of the energy eigenvalues as a function of the He–O distance, are investigated. In the adiabatic energy curves, the several local minima are generated in the spatial region of the small core distance, where the neutron hole inside of the He or O nucleus is strongly coupled to the residual nuclei. The energy spectra, which are constructed from the strong coupling states, nicely reproduce the the low-lying energy levels in the 19Ne nucleus. In the macroscopic approach, the α + 15O potential is evaluated from the elastic scattering of the α + 15N system, and the resonant levels of the α + 15O system are calculated under the absorbing boundary condition. The potential model predicts the existence of the resonances above the α threshold, which has a weak-coupling scheme of the α particle and one hole inside of the 16O nucleus. The extended microscopic calculations of (3He+16O + (α+15O + (5He+14O are performed in order to see the coupling effect of the 5p-2h configuration, which corresponds to the shell model limit of the 5He + 14O cluster configuration. The extended calculation suggests that the 5He + 14O configuration plays an important role on the formation of the 3/2+ resonance at 0.5 MeV with respect to the α threshold.

  19. State selective dynamics of molecules, clusters, and nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Keto, John W. [Univ. of Texas, Austin, TX (United States)

    2005-06-01

    Early objectives of this grant were: (1) Measure two-photon excitation of even parity excitons in liquid an solid xenon, (2) Study state-to-state energy transver between two-photon laser excited states or rare-gas atoms to other rare has atoms, (3) study reactive half-collisions between xenon and chlorine leading to the XeCl* B state, (4) measure the spectra of ro-vibrational states of cluster ions and radicals formed in high-pressure discharges and to study their dynamics, (5) measure the surface and bulk electronic states of nanoparticles produced by a unique method of synthesis--laser ablation of microspheres (LAM). Using near-field and microluminescence techniques, we obtained spectra of single nanocrystals to compare with spectra obtained in a supersonic jet apparatus using resonance excitation followed by photoionization (REMPI) with time-of-flight mass analysis. These materials combine the functional advantages obtained from the size-tunable properties of nanocomposite materials with the fabrication and direct-write advantages of NPs manufactured by LAM. We demostrated that CdSe nanoparticles produced by LAM were efficiient fluorescers, even when deposited dry on sapphire substrates. Si nanoparticles were fluorescent when captured in ethylene glycol. We also obtiained efficient fluorescence from Er doped phosphate glass nanopartiicles which have application to gain wafeguides in integrated optics or to nanoslush lasers. We used a femptosecond laser to study the nonlinear spectra of NC composites. We are currently measuring fluorescence and second and third-order susceptibilities of composites of Ag, Si, and GaN nanoparticles encapsulated within thin films of sapphire or SiO 2.

  20. State selective dynamics of molecules, clusters, and nanostructures

    International Nuclear Information System (INIS)

    John W. Keto

    2005-01-01

    Early objectives of this grant were: (1) Measure two-photon excitation of even parity excitons in liquid an solid xenon, (2) Study state-to-state energy transfer between two-photon laser excited states or rare-gas atoms to other rare has atoms, (3) study reactive half-collisions between xenon and chlorine leading to the XeCl* B state, (4) measure the spectra of ro-vibrational states of cluster ions and radicals formed in high-pressure discharges and to study their dynamics, (5) measure the surface and bulk electronic states of nanoparticles produced by a unique method of synthesis--laser ablation of microspheres (LAM). Using near-field and microluminescence techniques, we obtained spectra of single nanocrystals to compare with spectra obtained in a supersonic jet apparatus using resonance excitation followed by photoionization (REMPI) with time-of-flight mass analysis. These materials combine the functional advantages obtained from the size-tunable properties of nanocomposite materials with the fabrication and direct-write advantages of NPs manufactured by LAM. We demonstrated that CdSe nanoparticles produced by LAM were efficient fluorescers, even when deposited dry on sapphire substrates. Si nanoparticles were fluorescent when captured in ethylene glycol. We also obtained efficient fluorescence from Er doped phosphate glass nanoparticles which have application to gain waveguides in integrated optics or to nanoslush lasers. We used a femptosecond laser to study the nonlinear spectra of NC composites. We are currently measuring fluorescence and second and third-order susceptibilities of composites of Ag, Si, and GaN nanoparticles encapsulated within thin films of sapphire or SiO2

  1. Characterizing Heterogeneity within Head and Neck Lesions Using Cluster Analysis of Multi-Parametric MRI Data.

    Directory of Open Access Journals (Sweden)

    Marco Borri

    Full Text Available To describe a methodology, based on cluster analysis, to partition multi-parametric functional imaging data into groups (or clusters of similar functional characteristics, with the aim of characterizing functional heterogeneity within head and neck tumour volumes. To evaluate the performance of the proposed approach on a set of longitudinal MRI data, analysing the evolution of the obtained sub-sets with treatment.The cluster analysis workflow was applied to a combination of dynamic contrast-enhanced and diffusion-weighted imaging MRI data from a cohort of squamous cell carcinoma of the head and neck patients. Cumulative distributions of voxels, containing pre and post-treatment data and including both primary tumours and lymph nodes, were partitioned into k clusters (k = 2, 3 or 4. Principal component analysis and cluster validation were employed to investigate data composition and to independently determine the optimal number of clusters. The evolution of the resulting sub-regions with induction chemotherapy treatment was assessed relative to the number of clusters.The clustering algorithm was able to separate clusters which significantly reduced in voxel number following induction chemotherapy from clusters with a non-significant reduction. Partitioning with the optimal number of clusters (k = 4, determined with cluster validation, produced the best separation between reducing and non-reducing clusters.The proposed methodology was able to identify tumour sub-regions with distinct functional properties, independently separating clusters which were affected differently by treatment. This work demonstrates that unsupervised cluster analysis, with no prior knowledge of the data, can be employed to provide a multi-parametric characterization of functional heterogeneity within tumour volumes.

  2. Quantum teleportation and information splitting via four-qubit cluster state and a Bell state

    Science.gov (United States)

    Ramírez, Marlon David González; Falaye, Babatunde James; Sun, Guo-Hua; Cruz-Irisson, M.; Dong, Shi-Hai

    2017-10-01

    Quantum teleportation provides a "bodiless" way of transmitting the quantum state from one object to another, at a distant location, using a classical communication channel and a previously shared entangled state. In this paper, we present a tripartite scheme for probabilistic teleportation of an arbitrary single qubit state, without losing the information of the state being teleported, via a fourqubit cluster state of the form | ϕ>1234 = α|0000>+ β|1010>+ γ|0101>- η|1111>, as the quantum channel, where the nonzero real numbers α, β, γ, and η satisfy the relation j αj2 + | β|2 + | γ|2 + | η|2 = 1. With the introduction of an auxiliary qubit with state |0>, using a suitable unitary transformation and a positive-operator valued measure (POVM), the receiver can recreate the state of the original qubit. An important advantage of the teleportation scheme demonstrated here is that, if the teleportation fails, it can be repeated without teleporting copies of the unknown quantum state, if the concerned parties share another pair of entangled qubit. We also present a protocol for quantum information splitting of an arbitrary two-particle system via the aforementioned cluster state and a Bell-state as the quantum channel. Problems related to security attacks were examined for both the cases and it was found that this protocol is secure. This protocol is highly efficient and easy to implement.

  3. Structural Characterizations of Palladium Clusters Prepared by Polyol Reduction of [PdCl 4 ] (2-) Ions.

    Science.gov (United States)

    Schiavo, Loredana; Aversa, Lucrezia; Tatti, Roberta; Verucchi, Roberto; Carotenuto, Gianfranco

    2016-01-01

    Palladium nanoparticles are of great interest in many industrial fields, ranging from catalysis and hydrogen technology to microelectronics, thanks to their unique physical and chemical properties. In this work, palladium clusters have been prepared by reduction of [PdCl4](2-) ions with ethylene glycol, in the presence of poly(N-vinyl-2-pyrrolidone) (PVP) as stabilizer. The stabilizer performs the important role of nucleating agent for the Pd atoms with a fast phase separation, since palladium atoms coordinated to the polymer side-groups are forced at short distances during nucleation. Quasispherical palladium clusters with a diameter of ca. 2.6 nm were obtained by reaction in air at 90°C for 2 hours. An extensive materials characterization by transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and other characterizations (TGA, SEM, EDS-SEM, and UV-Vis) has been performed in order to evaluate the structure and oxidation state of nanopalladium.

  4. Characterization of micron-size hydrogen clusters using Mie scattering.

    Science.gov (United States)

    Jinno, S; Tanaka, H; Matsui, R; Kanasaki, M; Sakaki, H; Kando, M; Kondo, K; Sugiyama, A; Uesaka, M; Kishimoto, Y; Fukuda, Y

    2017-08-07

    Hydrogen clusters with diameters of a few micrometer range, composed of 10 8-10 hydrogen molecules, have been produced for the first time in an expansion of supercooled, high-pressure hydrogen gas into a vacuum through a conical nozzle connected to a cryogenic pulsed solenoid valve. The size distribution of the clusters has been evaluated by measuring the angular distribution of laser light scattered from the clusters. The data were analyzed based on the Mie scattering theory combined with the Tikhonov regularization method including the instrumental functions, the validity of which was assessed by performing a calibration study using a reference target consisting of standard micro-particles with two different sizes. The size distribution of the clusters was found discrete peaked at 0.33 ± 0.03, 0.65 ± 0.05, 0.81 ± 0.06, 1.40 ± 0.06 and 2.00 ± 0.13 µm in diameter. The highly reproducible and impurity-free nature of the micron-size hydrogen clusters can be a promising target for laser-driven multi-MeV proton sources with the currently available high power lasers.

  5. Characterization of the largest effector gene cluster of Ustilago maydis.

    Directory of Open Access Journals (Sweden)

    Thomas Brefort

    2014-07-01

    Full Text Available In the genome of the biotrophic plant pathogen Ustilago maydis, many of the genes coding for secreted protein effectors modulating virulence are arranged in gene clusters. The vast majority of these genes encode novel proteins whose expression is coupled to plant colonization. The largest of these gene clusters, cluster 19A, encodes 24 secreted effectors. Deletion of the entire cluster results in severe attenuation of virulence. Here we present the functional analysis of this genomic region. We show that a 19A deletion mutant behaves like an endophyte, i.e. is still able to colonize plants and complete the infection cycle. However, tumors, the most conspicuous symptoms of maize smut disease, are only rarely formed and fungal biomass in infected tissue is significantly reduced. The generation and analysis of strains carrying sub-deletions identified several genes significantly contributing to tumor formation after seedling infection. Another of the effectors could be linked specifically to anthocyanin induction in the infected tissue. As the individual contributions of these genes to tumor formation were small, we studied the response of maize plants to the whole cluster mutant as well as to several individual mutants by array analysis. This revealed distinct plant responses, demonstrating that the respective effectors have discrete plant targets. We propose that the analysis of plant responses to effector mutant strains that lack a strong virulence phenotype may be a general way to visualize differences in effector function.

  6. Muscle Synergies-Based Characterization and Clustering of Poststroke Patients in Reaching Movements

    Directory of Open Access Journals (Sweden)

    Alessandro Scano

    2017-10-01

    Full Text Available BackgroundA deep characterization of neurological patients is a crucial step for a detailed knowledge of the pathology and maximal exploitation and customization of the rehabilitation therapy. The muscle synergies analysis was designed to investigate how muscles coactivate and how their eliciting commands change in time during movement production. Few studies investigated the value of muscle synergies for the characterization of neurological patients before rehabilitation therapies. In this article, the synergy analysis was used to characterize a group of chronic poststroke hemiplegic patients.MethodsTwenty-two poststroke patients performed a session composed of a sequence of 3D reaching movements. They were assessed through an instrumental assessment, by recording kinematics and electromyography to extract muscle synergies and their activation commands. Patients’ motor synergies were grouped by the means of cluster analysis. Consistency and characterization of each cluster was assessed and clinically profiled by comparison with standard motor assessments.ResultsMotor synergies were successfully extracted on all 22 patients. Five basic clusters were identified as a trade-off between clustering precision and synthesis power, representing: healthy-like activations, two shoulder compensatory strategies, two elbow predominance patterns. Each cluster was provided with a deep characterization and correlation with clinical scales, range of motion, and smoothness.ConclusionThe clustering of muscle synergies enabled a pretherapy characterization of patients. Such technique may affect several aspects of the therapy: prediction of outcomes, evaluation of the treatments, customization of doses, and therapies.

  7. Hierarchical Controlled Remote State Preparation by Using a Four-Qubit Cluster State

    Science.gov (United States)

    Ma, Peng-Cheng; Chen, Gui-Bin; Li, Xiao-Wei; Zhan, You-Bang

    2018-02-01

    We propose a scheme for hierarchical controlled remote preparation of an arbitrary single-qubit state via a four-qubit cluster state as the quantum channel. In this scheme, a sender wishes to help three agents to remotely prepare a quantum state, respectively. The three agents are divided into two grades, that is, an agent is in the upper grade and other two agents are in the lower grade. In this process of remote state preparation, the agent of the upper grade only needs the assistance of any one of the other two agents for recovering the sender's original state, while an agent of the lower grade needs the collaboration of all the other two agents. In other words, the agents of two grades have different authorities to reconstruct sender's original state.

  8. Preparation and characterization of keratin and chicken egg white-templated luminescent Au cluster composite film

    Science.gov (United States)

    Xing, Yao; Liu, Hongling; Yu, Weidong

    2016-02-01

    The characterization of keratin-chicken egg white-templated luminescent Au cluster composite films were studied using fourier-transform infrared spectroscopy (FTIR) to demonstrate and quantify the secondary transformation of composite films. The results showed that the secondary structure of treated films was transformed from disordered structure to ordered conformation including α-helix conformation and β-pleated-sheet conformation due to the increase of protein-templated luminescent Au cluster. The absorption features of treated films were exhibited by the UV-vis spectra. The bule-shift and decreased intensity indicated the change of microenvironment due to the concentration of protein-templated luminescent Au cluster. The transmission electron microscopy images of composite films supported the aggregation resulting from microenvironment. The effect of protein-templated luminescent Au cluster was characterized by the laser scanning confocal microscope (LSCM) images which showed the gradually intensive luminescence with increasing Au cluster and the transformation from the whiskers to nanoparticle.

  9. Electron localization, polarons and clustered states in manganites

    International Nuclear Information System (INIS)

    Mannella, N.

    2004-01-01

    Full text: A recent multi-spectroscopic study of prototypical colossal magnetoresistance (CMR) compounds La 1-x Sr x MnO 3 (LSMO, x = 0.3, 0.4) using photoemission (PE), x-ray absorption (XAS), x-ray emission (XES) and extended x-ray absorption e structure (EXAFS) has exposed a dramatic change in the electronic structure on crossing the ferromagnetic-to-paramagnetic transition temperature (T C ). In particular, this investigation revealed an increase of the Mn magnetic moment by ca. 1 Bohr magneton and charge transfer to the Mn atom on crossing T C concomitant with the presence of Jahn-Teller distortions, thus providing direct evidence of lattice polaron formation. These results thus challenge the belief of some authors that the LSMO compounds are canonical double-exchange (DE) systems in which polaron formation is unimportant, and thus help to unify the theoretical description of the CMR oxides. The relationship of these data to other recent work suggesting electron localization, polarons and phase separation, along with additional measurements of magnetic susceptibility indicating the formation of ferromagnetic clusters in the metallic paramagnetic state above T C will be discussed

  10. Rheological Characterization and Cluster Classification of Iranian Commercial Foods, Drinks and Desserts to Recommend for Esophageal Dysphagia Diets.

    Science.gov (United States)

    Zargaraan, Azizollaah; Omaraee, Yasaman; Rastmanesh, Reza; Taheri, Negin; Fadavi, Ghasem; Fadaei, Morteza; Mohammadifar, Mohammad Amin

    2013-12-01

    In the absence of dysphagia-oriented food products, rheological characterization of available food items is of importance for safe swallowing and adequate nutrient intake of dysphagic patients. In this way, introducing alternative items (with similar ease of swallow) is helpful to improve quality of life and nutritional intake of esophageal cancer dysphagia patients. The present study aimed at rheological characterization and cluster classification of potentially suitable foodstuffs marketed in Iran for their possible use in dysphagia diets. In this descriptive study, rheological data were obtained during January and February 2012 in Rheology Lab of National Nutrition and Food Technology Research Institute Tehran, Iran. Steady state and oscillatory shear parameters of 39 commercial samples were obtained using a Physica MCR 301 rheometer (Anton-Paar, GmbH, Graz, Austria). Matlab Fuzzy Logic Toolbox (R2012 a) was utilized for cluster classification of the samples. Using an extended list of rheological parameters and fuzzy logic methods, 39 commercial samples (drinks, main courses and desserts) were divided to 5 clusters and degree of membership to each cluster was stated by a number between 0 and 0.99. Considering apparent viscosity of foodstuffs as a single criterion for classification of dysphagia-oriented food products is shortcoming of current guidelines in dysphagia diets. Authors proposed to some revisions in classification of dysphagia-oriented food products and including more rheological parameters (especially, viscoelastic parameters) in the classification.

  11. Resource-efficient generation of linear cluster states by linear optics with postselection

    International Nuclear Information System (INIS)

    Uskov, D B; Alsing, P M; Fanto, M L; Szep, A; Smith, A M; Kaplan, L; Kim, R

    2015-01-01

    We report on theoretical research in photonic cluster-state computing. Finding optimal schemes of generating non-classical photonic states is of critical importance for this field as physically implementable photon–photon entangling operations are currently limited to measurement-assisted stochastic transformations. A critical parameter for assessing the efficiency of such transformations is the success probability of a desired measurement outcome. At present there are several experimental groups that are capable of generating multi-photon cluster states carrying more than eight qubits. Separate photonic qubits or small clusters can be fused into a single cluster state by a probabilistic optical CZ gate conditioned on simultaneous detection of all photons with 1/9 success probability for each gate. This design mechanically follows the original theoretical scheme of cluster state generation proposed more than a decade ago by Raussendorf, Browne and Briegel. The optimality of the destructive CZ gate in application to linear optical cluster state generation has not been analyzed previously. Our results reveal that this method is far from the optimal one. Employing numerical optimization we have identified that the maximal success probability of fusing n unentangled dual-rail optical qubits into a linear cluster state is equal to (1/2) n−1 ; an m-tuple of photonic Bell pair states, commonly generated via spontaneous parametric down-conversion, can be fused into a single cluster with the maximal success probability of (1/4) m−1 . (paper)

  12. Synthesis and characterization of several molybdenum chloride cluster compounds

    Energy Technology Data Exchange (ETDEWEB)

    Beers, W.W.

    1983-06-01

    Investigation into the direct synthesis of Mo/sub 4/Cl/sub 8/(P(C/sub 2/H/sub 5/)/sub 3/)/sub 4/ from Mo/sub 2/(OAc)/sub 4/ led to a synthetic procedure that produces yields greater than 80%. The single-crystal structure disclosed a planar rectangular cluster of molybdenum atoms. Metal-metal bond distances suggest that the long edges of the rectangular cluster should be considered to be single bonds and the short metal-metal bonds to be triple bonds. This view is reinforced by an extended Hueckel calculation. Attempts to add a metal atom to Mo/sub 4/Cl/sub 8/(PR/sub 3/)/sub 4/ to form Mo/sub 5/Cl/sub 10/(PR/sub 3/)/sub 3/ led instead to a compound with the composition Mo/sub 8/Cl/sub 16/(PR/sub 3/)/sub 4/. Solution and reflectance uv-visible spectra and x-ray photoelectron spectra suggest that tetranuclear molybdenum units are present. The facile reaction between Mo/sub 8/Cl/sub 16/(PR/sub 3/)/sub 4/ and PR/sub 3/ imply that the linkage between tetrameric units is weak.

  13. Alpha cluster states and molecular orbitals in sd-shell nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Kimura, M. [Creative Research Institution Sousei Research Department, Hokkaido University, Sapporo 001-0021 (Japan); Furutachi, N. [Meme Media Laboratory, Hokkaido University, Sapporo 060-8628 (Japan); Kanada-En' yo, Y. [Yukawa Institute for Theoretical Physics, Kyoto University, Kyoto 606-8502 (Japan)

    2010-03-01

    The alpha-clustering and molecular-orbitals of {sup 22}Ne and F isotopes are investigated based on antisymmetrized molecular dynamics (AMD). The observed candidates for the alpha cluster state of {sup 22}Ne are understood as the molecular-orbital states and alpha+{sup 18}O di-nuclei states. The presence of the molecular-orbital states in the O and F isotopes and the drastic reduction of their excitation energy near the neutron-drip line are predicted.

  14. clusters

    Indian Academy of Sciences (India)

    2017-09-27

    Sep 27, 2017 ... while CuCoNO, Co3NO, Cu3CoNO, Cu2Co3NO, Cu3Co3NO and Cu6CoNO clusters display stronger chemical stability. Magnetic and electronic properties are also discussed. The magnetic moment is affected by charge transfer and the spd hybridization. Keywords. CumConNO (m + n = 2–7) clusters; ...

  15. Female cluster headache in the United States of America: what are the gender differences? Results from the United States Cluster Headache Survey.

    Science.gov (United States)

    Rozen, Todd D; Fishman, Royce S

    2012-06-15

    To present results from the United States Cluster Headache Survey regarding gender differences in cluster headache demographics, clinical characteristics, diagnostic delay, triggers, treatment response and personal burden. Very few studies have looked at the gender differences in cluster headache presentation. The United States Cluster Headache Survey is the largest study of cluster headache sufferers ever completed in the United States and it is also the largest study of female cluster headache patients ever presented. The total survey consisted of 187 multiple choice questions which dealt with various issues related to cluster headache including: demographics, clinical characteristics, concomitant medical conditions, family history, triggers, smoking history, diagnosis, treatment response and personal burden. A group of questions were specifically targeted to female cluster headache patients. The survey was placed on a website from October to December 2008. For all survey responders the diagnosis of cluster headache needed to be made by a neurologist but there was no validation of the headache diagnosis by the authors. 1134 individuals completed the survey (816 male, 318 female). Key Points that define the differences between female and male cluster headache include: a. Age of onset: women develop cluster headache at an earlier age than men and are more likely to develop a second peak of cluster headache onset after 50 years of age. b. Family history: woman cluster headache sufferers are more likely to have a family history of both cluster headache and migraine and have an increased familial risk of Parkinson's disease. c. Comorbid conditions: female cluster headaches sufferers are significantly more likely to experience depression and have asthma than males. d. Aura issues: aura with cluster headache is equally common in both sexes, but aura duration is shorter in women. Women are much more likely to experience sensory, language and brainstem auras. e. Pain

  16. Cluster-state quantum computing enhanced by high-fidelity generalized measurements.

    Science.gov (United States)

    Biggerstaff, D N; Kaltenbaek, R; Hamel, D R; Weihs, G; Rudolph, T; Resch, K J

    2009-12-11

    We introduce and implement a technique to extend the quantum computational power of cluster states by replacing some projective measurements with generalized quantum measurements (POVMs). As an experimental demonstration we fully realize an arbitrary three-qubit cluster computation by implementing a tunable linear-optical POVM, as well as fast active feedforward, on a two-qubit photonic cluster state. Over 206 different computations, the average output fidelity is 0.9832+/-0.0002; furthermore the error contribution from our POVM device and feedforward is only of O(10(-3)), less than some recent thresholds for fault-tolerant cluster computing.

  17. Mental State Talk Structure in Children’s Narratives: A Cluster Analysis

    Directory of Open Access Journals (Sweden)

    Giuliana Pinto

    2017-01-01

    Full Text Available This study analysed children’s Theory of Mind (ToM as assessed by mental state talk in oral narratives. We hypothesized that the children’s mental state talk in narratives has an underlying structure, with specific terms organized in clusters. Ninety-eight children attending the last year of kindergarten were asked to tell a story twice, at the beginning and at the end of the school year. Mental state talk was analysed by identifying terms and expressions referring to perceptual, physiological, emotional, willingness, cognitive, moral, and sociorelational states. The cluster analysis showed that children’s mental state talk is organized in two main clusters: perceptual states and affective states. Results from the study confirm the feasibility of narratives as an outlet to inquire mental state talk and offer a more fine-grained analysis of mental state talk structure.

  18. Cluster emission in superdeformed Sr isotopes in the ground state ...

    Indian Academy of Sciences (India)

    is found that inclusion of excitation energy increases the decay rate (decreases T1/2 value) considerably and these nuclei become unstable against decay. These findings support earlier observation of Gupta et al based on PCM. Keywords. Cluster decay; exotic decay. PACS Nos 23.70.+j; 23.60.+e; 27.50.+e. 1. Introduction.

  19. Teleportation of a specific family of tripartite entangled pure states via a five-qubit cluster state

    Science.gov (United States)

    Tang, Jingwu; Peng, Zhaohui

    2010-01-01

    We propose teleporting a specific family of tripartite entangled pure states, which include both the Greenberger-Horne-Zeilinger (GHZ) state and the W-class state, with the five-qubit cluster state. In this scheme, two different measurement strategies are introduced and the successful probability of both is one theoretically. In cavity quantum electrodynamics (QED), we propose generating the five-qubit cluster state and discuss the local measurement of the Bell state and the five-qubit cluster state. It is shown that our scheme may be realizable based on present cavity QED technology. In future, our scheme may be useful for establishing general tripartite entanglement in remote nodes of the communication network.

  20. Carbonate reservoir characterization with lithofacies clustering and porosity prediction

    International Nuclear Information System (INIS)

    Al Moqbel, Abdulrahman; Wang, Yanghua

    2011-01-01

    One of the objectives in reservoir characterization is to quantitatively or semi-quantitatively map the spatial distribution of its heterogeneity and related properties. With the availability of 3D seismic data, artificial neural networks are capable of discovering the nonlinear relationship between seismic attributes and reservoir parameters. For a target carbonate reservoir, we adopt a two-stage approach to conduct characterization. First, we use an unsupervised neural network, the self-organizing map method, to classify the reservoir lithofacies. Then we apply a supervised neural network, the back-propagation algorithm, to quantitatively predict the porosity of the carbonate reservoir. Based on porosity maps at different time levels, we interpret the target reservoir vertically related to three depositional phases corresponding to, respectively, a lowstand system tract before sea water immersion, a highstand system tract when water covers organic deposits and a transition zone for the sea level falling. The highstand system is the most prospective zone, given the organic content deposited during this stage. The transition zone is also another prospective feature in the carbonate depositional system due to local build-ups

  1. cluster

    Indian Academy of Sciences (India)

    has been investigated electrochemically in positive and negative microenvironments, both in solution and in film. Charge nature around the active centre ... in plants, bacteria and also in mammals. This cluster is also an important constituent of a ..... selection of non-cysteine amino acid in the active centre of Rieske proteins.

  2. Search for 12 C+ 12 C clustering in 24 Mg ground state

    Indian Academy of Sciences (India)

    In the backdrop of many models, the heavy cluster structure of the ground state of 24 Mg has been probed experimentally for the first time using the heavy cluster knockout reaction 24 Mg( 12 C, 212 C) 12 C in thequasifree scattering kinematic domain. In the ( 12 C, 212 C) reaction, the direct 12 C-knockout cross-section was ...

  3. 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 ...

  4. Characterization of electrical appliances in transient state

    Science.gov (United States)

    Wójcik, Augustyn; Winiecki, Wiesław

    2017-08-01

    The article contains the study about electrical appliance characterization on the basis of power grid signals. To represent devices, parameters of current and voltage signals recorded during transient states are used. In this paper only transients occurring as a result of switching on devices are considered. The way of data acquisition performed in specialized measurement setup developed for electricity load monitoring is described. The paper presents the method of transients detection and the method of appliance parameters calculation. Using the set of acquired measurement data and appropriate software the set of parameters for several household appliances operating in different operating conditions was processed. Usefulness of appliances characterization in Non-Intrusive Appliance Load Monitoring System (NIALMS) with the use of proposed method is discussed focusing on obtained results.

  5. State of the art of parallel scientific visualization applications on PC clusters

    International Nuclear Information System (INIS)

    Juliachs, M.

    2004-01-01

    In this state of the art on parallel scientific visualization applications on PC clusters, we deal with both surface and volume rendering approaches. We first analyze available PC cluster configurations and existing parallel rendering software components for parallel graphics rendering. CEA/DIF has been studying cluster visualization since 2001. This report is part of a study to set up a new visualization research platform. This platform consisting of an eight-node PC cluster under Linux and a tiled display was installed in collaboration with Versailles-Saint-Quentin University in August 2003. (author)

  6. Topological one-way quantum computation on verified logical cluster states

    International Nuclear Information System (INIS)

    Fujii, Keisuke; Yamamoto, Katsuji

    2010-01-01

    We present a scheme to improve the noise threshold for fault-tolerant topological one-way computation with constant overhead. Certain cluster states of finite size, say star clusters, are constructed with logical qubits through an efficient verification process to achieve high fidelity. Then, the star clusters are connected near-deterministically with verification to form a three-dimensional cluster state to implement topological one-way computation. The necessary postselection for verification is localized within the star clusters, ensuring the scalability of computation. By using the Steane seven-qubit code for the logical qubits, this scheme works with a high error rate of 2% and reasonable resources comparable to or less than those for the other fault-tolerant schemes. A higher noise threshold would be achieved by adopting a larger code.

  7. Identifying Subgroups of Tinnitus Using Novel Resting State fMRI Biomarkers and Cluster Analysis

    Science.gov (United States)

    2017-10-13

    applied to the resting-state data to identify tinnitus subgroups within the patient population and pair them with specific behavioral ...and behavioral data  Specific Aim 2: Determine tinnitus subgroups using automated cluster analysis of resting state data and associate the subgroups...data analysis and clustering method previously developed to apply to current tinnitus data set o Percentage of completion at end of Year 2 (24 months

  8. Study on multipartite quantum states: preparation, simulation, and characterization

    International Nuclear Information System (INIS)

    Kruszynska, C.

    2009-01-01

    In this thesis different problems are investigated related to the description as well as the manipulation of multipartite quantum states. Because of the superposition principle, the state of a composite quantum system can be entangled, i.e. exhibit quantum correlations between the sites. The entanglement of two-qubit systems is well understood. There is only one kind of entanglement which can be directly related to the value of the Schmidt coefficients. However this is not the case for multipartite entanglement of qubit systems. Unlike in the two-qubit case, a multipartite quantum state can be entangled in many different ways, which complicates the classification and characterization of such states. The storage and manipulation of a quantum state is a challenging task because of the decoherence resulting from the interaction of the state with its environment. One way to overcome this difficulty is to use entanglement purification which will be the subject of the first part of this thesis. Entanglement purification allows to extract a small number of nearly pure states out of a bigger set of mixed states. We review existing bipartite and multipartite entanglement purification protocols and introduce new protocols which are capable of purifying any graph state, enlarging by this the class of states which can be purified. The second part deals with the preparation and distribution of high-fidelity multi-party entangled states via noisy channels and operations. In the particular case of GHZ and cluster states, we study different strategies using bipartite or multipartite purification protocols. The most efficient strategy depends on the target fidelity one wishes to achieve and on the quality of transmission channel and local operations. We show the existence of a crossing point beyond which the strategy making use of the purification of the state as a whole is more efficient than a strategy in which pairs are purified before they are connected to the final state. We

  9. Fault-tolerant measurement-based quantum computing with continuous-variable cluster states.

    Science.gov (United States)

    Menicucci, Nicolas C

    2014-03-28

    A long-standing open question about Gaussian continuous-variable cluster states is whether they enable fault-tolerant measurement-based quantum computation. The answer is yes. Initial squeezing in the cluster above a threshold value of 20.5 dB ensures that errors from finite squeezing acting on encoded qubits are below the fault-tolerance threshold of known qubit-based error-correcting codes. By concatenating with one of these codes and using ancilla-based error correction, fault-tolerant measurement-based quantum computation of theoretically indefinite length is possible with finitely squeezed cluster states.

  10. Characterization of induced seismicity patterns derived from internal structure in event clusters

    Science.gov (United States)

    Goertz-Allmann, B. P.; Gibbons, S. J.; Oye, V.; Bauer, R.; Will, R.

    2017-05-01

    microseismicity induced by CO2 injection at Decatur, Illinois, occurs in distinct clusters and shows no obvious correlation with the proceeding pressure front. We analyze some of these clusters in more depth by using a waveform cross-correlation approach. With this approach we can associate about 1400 events from two clusters, with moment magnitudes between 1.1 and -1.7, with specific formations of much smaller vertical dimensions (tens of meters) than the depth resolution of traveltime-based event locations. The differentiation of reservoir and basement events, and the definition of subclusters by waveform correlation, rather than by location, helps to better analyze the spatiotemporal evolution of the events within a cluster. In the Decatur case, this is characterized by event migration from the reservoir into the adjacent basement. The spatial variation of Brune stress drop and Gutenberg b value exhibits signs of a fluid-driven triggering mechanism at the cluster level, revealing a punctual hydraulic connection between reservoir and basement, most likely associated with basement faults cutting into the reservoir. The observed clustering of microseismicity can thus be explained by the lateral heterogeneity of permeability and crustal strength and is overall consistent with a pressure-induced triggering mechanism. Hence, proper long-term risk mitigation for large-scale fluid injection close to the basement requires prior mapping of small subseismic basement-connected faults.

  11. Steady state subchannel analysis of AHWR fuel cluster

    International Nuclear Information System (INIS)

    Dasgupta, A.; Chandraker, D.K.; Vijayan, P.K.; Saha, D.

    2006-09-01

    Subchannel analysis is a technique used to predict the thermal hydraulic behavior of reactor fuel assemblies. The rod cluster is subdivided into a number of parallel interacting flow subchannels. The conservation equations are solved for each of these subchannels, taking into account subchannel interactions. Subchannel analysis of AHWR D-5 fuel cluster has been carried out to determine the variations in thermal hydraulic conditions of coolant and fuel temperatures along the length of the fuel bundle. The hottest regions within the AHWR fuel bundle have been identified. The effect of creep on the fuel performance has also been studied. MCHFR has been calculated using Jansen-Levy correlation. The calculations have been backed by sensitivity analysis for parameters whose values are not known accurately. The sensitivity analysis showed the calculations to have a very low sensitivity to these parameters. Apart from the analysis, the report also includes a brief introduction of a few subchannel codes. A brief description of the equations and solution methodology used in COBRA-IIIC and COBRA-IV-I is also given. (author)

  12. A Resting-State Brain Functional Network Study in MDD Based on Minimum Spanning Tree Analysis and the Hierarchical Clustering

    Directory of Open Access Journals (Sweden)

    Xiaowei Li

    2017-01-01

    Full Text Available A large number of studies demonstrated that major depressive disorder (MDD is characterized by the alterations in brain functional connections which is also identifiable during the brain’s “resting-state.” But, in the present study, the approach of constructing functional connectivity is often biased by the choice of the threshold. Besides, more attention was paid to the number and length of links in brain networks, and the clustering partitioning of nodes was unclear. Therefore, minimum spanning tree (MST analysis and the hierarchical clustering were first used for the depression disease in this study. Resting-state electroencephalogram (EEG sources were assessed from 15 healthy and 23 major depressive subjects. Then the coherence, MST, and the hierarchical clustering were obtained. In the theta band, coherence analysis showed that the EEG coherence of the MDD patients was significantly higher than that of the healthy controls especially in the left temporal region. The MST results indicated the higher leaf fraction in the depressed group. Compared with the normal group, the major depressive patients lost clustering in frontal regions. Our findings suggested that there was a stronger brain interaction in the MDD group and a left-right functional imbalance in the frontal regions for MDD controls.

  13. Experimental observation of chimera and cluster states in a minimal globally coupled network

    Energy Technology Data Exchange (ETDEWEB)

    Hart, Joseph D. [Institute for Research in Electronics and Applied Physics, University of Maryland, College Park, Maryland 20742 (United States); Department of Physics, University of Maryland, College Park, Maryland 20742 (United States); Bansal, Kanika [Department of Mathematics, University at Buffalo, SUNY Buffalo, New York 14260 (United States); US Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005 (United States); Murphy, Thomas E. [Institute for Research in Electronics and Applied Physics, University of Maryland, College Park, Maryland 20742 (United States); Department of Electrical and Computer Engineering, University of Maryland, College Park, Maryland 20742 (United States); Roy, Rajarshi [Institute for Research in Electronics and Applied Physics, University of Maryland, College Park, Maryland 20742 (United States); Department of Physics, University of Maryland, College Park, Maryland 20742 (United States); Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742 (United States)

    2016-09-15

    A “chimera state” is a dynamical pattern that occurs in a network of coupled identical oscillators when the symmetry of the oscillator population is broken into synchronous and asynchronous parts. We report the experimental observation of chimera and cluster states in a network of four globally coupled chaotic opto-electronic oscillators. This is the minimal network that can support chimera states, and our study provides new insight into the fundamental mechanisms underlying their formation. We use a unified approach to determine the stability of all the observed partially synchronous patterns, highlighting the close relationship between chimera and cluster states as belonging to the broader phenomenon of partial synchronization. Our approach is general in terms of network size and connectivity. We also find that chimera states often appear in regions of multistability between global, cluster, and desynchronized states.

  14. [Synthesis and characterization of non fluorescent ZnS nano clusters].

    Science.gov (United States)

    Ding, Liang; Yang, Hui; Xi, Ya-nan; Zhang, Jin-chao; Shen, Shi-gang

    2015-01-01

    Zinc sulfide nano clusters were synthesized and characterized. A kind of method using zinc sulfide nanoparticles cluster cation exchange reaction(CX) to detect trace biological molecules was established. Non fluorescent ZnS nanoparticles (NCCs) were synthesized and characterized. The property of nano clusters directly influences the detection results. Through transmission electron microscopy images and X-ray diffraction, nano clusters which could quickly release a mass of Zn2+ from rapid cation exchange reaction were known to be porous and generate fluorescence signal under the action of zinc reagent. The external crystal arranges loosely compared to the internal, which is conducive to rapid cation exchange, and the crystal size is related to heating time. It was demonstrated that the smallest nanocluster had a relative large surface area and higher cationic exchange efficiency through the determination of the specific surface area of nano clusters for detecting surface area and pore size. Three methods (acid dissolution method, cation exchange and micro wave aided by cation exchange) which effected Zn2+ release performance were experimented. It turned out that microwave auxiliary cation exchange method had high SNR, simple operation, and could be used in zinc sulfide nanoparticle immunoassay. Having compared the relations between the release efficiency, target binding force of ZnZ2+ and its average diameter, the results show that the nano cluster size of 44 nm exhibits the highest cation exchange efficiency. All these features make the ZnS nanocluster cation exchange amplifier to be a highly sensitive, fairly biocompatible, low-cost and environment friendly detection tool in the detection of biomolecules.

  15. Physical-depth architectural requirements for generating universal photonic cluster states

    Science.gov (United States)

    Morley-Short, Sam; Bartolucci, Sara; Gimeno-Segovia, Mercedes; Shadbolt, Pete; Cable, Hugo; Rudolph, Terry

    2018-01-01

    Most leading proposals for linear-optical quantum computing (LOQC) use cluster states, which act as a universal resource for measurement-based (one-way) quantum computation. In ballistic approaches to LOQC, cluster states are generated passively from small entangled resource states using so-called fusion operations. Results from percolation theory have previously been used to argue that universal cluster states can be generated in the ballistic approach using schemes which exceed the critical threshold for percolation, but these results consider cluster states with unbounded size. Here we consider how successful percolation can be maintained using a physical architecture with fixed physical depth, assuming that the cluster state is continuously generated and measured, and therefore that only a finite portion of it is visible at any one point in time. We show that universal LOQC can be implemented using a constant-size device with modest physical depth, and that percolation can be exploited using simple pathfinding strategies without the need for high-complexity algorithms.

  16. Characterization of Staphylococcus and Corynebacterium clusters in the human axillary region.

    Directory of Open Access Journals (Sweden)

    Chris Callewaert

    Full Text Available The skin microbial community is regarded as essential for human health and well-being, but likewise plays an important role in the formation of body odor in, for instance, the axillae. Few molecular-based research was done on the axillary microbiome. This study typified the axillary microbiome of a group of 53 healthy subjects. A profound view was obtained of the interpersonal, intrapersonal and temporal diversity of the human axillary microbiota. Denaturing gradient gel electrophoresis (DGGE and next generation sequencing on 16S rRNA gene region were combined and used as extent to each other. Two important clusters were characterized, where Staphylococcus and Corynebacterium species were the abundant species. Females predominantly clustered within the Staphylococcus cluster (87%, n = 17, whereas males clustered more in the Corynebacterium cluster (39%, n = 36. The axillary microbiota was unique to each individual. Left-right asymmetry occurred in about half of the human population. For the first time, an elaborate study was performed on the dynamics of the axillary microbiome. A relatively stable axillary microbiome was noticed, although a few subjects evolved towards another stable community. The deodorant usage had a proportional linear influence on the species diversity of the axillary microbiome.

  17. Design principle of multi-cluster and desynchronized states in oscillatory media via nonlinear global feedback

    Energy Technology Data Exchange (ETDEWEB)

    Kobayashi, Yasuaki [Meme Media Laboratory, Hokkaido University, Sapporo 060-0813 (Japan); Kori, Hiroshi [Division of Advanced Sciences, Ochadai Academic Production, Ochanomizu University, Tokyo 112-8610 (Japan)], E-mail: kobayashi@nsc.es.hokudai.ac.jp, E-mail: kori.hiroshi@ocha.ac.jp

    2009-03-15

    A theoretical framework is developed for the precise control of spatial patterns in oscillatory media using nonlinear global feedback, where a proper form of the feedback function corresponding to a specific pattern is predicted through the analysis of a phase diffusion equation with global coupling. In particular, feedback functions that generate the following spatial patterns are analytically given: (i) 2-cluster states with an arbitrary population ratio, (ii) equally populated multi-cluster states and (iii) a desynchronized state. Our method is demonstrated numerically by using the Brusselator model in the oscillatory regime. Experimental realization is also discussed.

  18. Characterization of atom clusters in irradiated pressure vessel steels and model alloys

    International Nuclear Information System (INIS)

    Auger, P.; Pareige, P.; Akamatsu, M.; Van Duysen, J.C.

    1993-12-01

    In order to characterize the microstructural evolution of the iron solid solution under irradiation, two pressure vessel steels irradiated in service conditions and, for comparison, low copper model alloys irradiated with neutrons and electrons have been studied. The characterization has been carried out mainly thanks to small angle neutron scattering and atom probe experiments. Both techniques lead to the conclusion that clusters develop with irradiations. In Fe-Cu model alloys, copper clusters are formed containing uncertain proportions of iron. In the low copper industrial steels, the feature is more complex. Solute atoms like Ni, Mn and Si, sometimes associated with Cu, segregate as ''clouds'' more or less condensed in the iron solid solution. These silicides, or at least Si, Ni, Mn association, may facilitate the copper segregation although the initial iron matrix contains a low copper concentration. (authors). 24 refs., 3 figs., 2 tabs

  19. Event-by-Event Cluster Analysis of Final States from Heavy Ion Collisions

    International Nuclear Information System (INIS)

    Fialkowski, K.; Wit, R.

    1999-01-01

    We present an event-by-event analysis of the cluster structure of final multihadron states resulting from heavy ion collisions. A comparison of experimental data with the states obtained from Monte Carlo generators is shown. The analysis of the first available experimental events suggests that the method is suitable for selecting some different types of events. (author)

  20. Strategies for the preparation of large cluster states using non-deterministic gates

    International Nuclear Information System (INIS)

    Rohde, Peter P; Barrett, Sean D

    2007-01-01

    The cluster state model for quantum computation has paved the way for schemes that allow scalable quantum computing, even when using non-deterministic quantum gates. Here the initial step is to prepare a large entangled state using non-deterministic gates. A key question in this context is the relative efficiencies of different 'strategies', i.e. in what order should the non-deterministic gates be applied, in order to maximize the size of the resulting cluster states? In this paper we consider this issue in the context of 'large' cluster states. Specifically, we assume an unlimited resource of qubits and ask what the steady state rate at which 'large' clusters are prepared from this resource is, given an entangling gate with particular characteristics. We measure this rate in terms of the number of entangling gate operations that are applied. Our approach works for a variety of different entangling gate types, with arbitrary failure probability. Our results indicate that strategies whereby one preferentially bonds together clusters of identical length are considerably more efficient than those in which one does not. Additionally, compared to earlier analytic results, our numerical study offers substantially improved resource scaling

  1. An entanglement concentration protocol for cluster states using ...

    Indian Academy of Sciences (India)

    Entanglement is the most precious quantum resource in the theory of quantum information and communication [1,2]. ... quantum system with the environment, and also after some use has been made of an entan- gled state, the ..... [2] D McMahon, Quantum computing explained (John Wiley and Sons, 2007). [3] A Einstein, B ...

  2. An entanglement concentration protocol for cluster states using ...

    Indian Academy of Sciences (India)

    Permanent link: http://www.ias.ac.in/article/fulltext/pram/086/05/0973-0983 ... The purpose of this paper is a proposal on entanglement concentration protocol forcluster states. The protocol ... We also make a comparative numerical study of the residual entanglement left out after the execution of each step of the protocol.

  3. An entanglement concentration protocol for cluster states using ...

    Indian Academy of Sciences (India)

    The purpose of this paper is a proposal on entanglement concentration protocol forcluster states. The protocol uses CNOT gate operation and is assisted with a single qubit. Moreover, the local and non-local operations are performed by a single party. We also make a comparative numerical study of the residual ...

  4. Identification and characterization of earthquake clusters: a comparative analysis for selected sequences in Italy

    Science.gov (United States)

    Peresan, Antonella; Gentili, Stefania

    2017-04-01

    Identification and statistical characterization of seismic clusters may provide useful insights about the features of seismic energy release and their relation to physical properties of the crust within a given region. Moreover, a number of studies based on spatio-temporal analysis of main-shocks occurrence require preliminary declustering of the earthquake catalogs. Since various methods, relying on different physical/statistical assumptions, may lead to diverse classifications of earthquakes into main events and related events, we aim to investigate the classification differences among different declustering techniques. Accordingly, a formal selection and comparative analysis of earthquake clusters is carried out for the most relevant earthquakes in North-Eastern Italy, as reported in the local OGS-CRS bulletins, compiled at the National Institute of Oceanography and Experimental Geophysics since 1977. The comparison is then extended to selected earthquake sequences associated with a different seismotectonic setting, namely to events that occurred in the region struck by the recent Central Italy destructive earthquakes, making use of INGV data. Various techniques, ranging from classical space-time windows methods to ad hoc manual identification of aftershocks, are applied for detection of earthquake clusters. In particular, a statistical method based on nearest-neighbor distances of events in space-time-energy domain, is considered. Results from clusters identification by the nearest-neighbor method turn out quite robust with respect to the time span of the input catalogue, as well as to minimum magnitude cutoff. The identified clusters for the largest events reported in North-Eastern Italy since 1977 are well consistent with those reported in earlier studies, which were aimed at detailed manual aftershocks identification. The study shows that the data-driven approach, based on the nearest-neighbor distances, can be satisfactorily applied to decompose the seismic

  5. Entangled states decoherence in coupled molecular spin clusters

    Science.gov (United States)

    Troiani, Filippo; Szallas, Attila; Bellini, Valerio; Affronte, Marco

    2010-03-01

    Localized electron spins in solid-state systems are widely investigated as potential building blocks of quantum devices and computers. While most efforts in the field have been focused on semiconductor low-dimensional structures, molecular antiferromagnets were recently recognized as alternative implementations of effective few-level spin systems. Heterometallic, Cr-based spin rings behave as effective spin-1/2 systems at low temperature and show long decoherence times [1]; besides, they can be chemically linked and magnetically coupled in a controllable fascion [2]. Here, we theoretically investigate the decoherence of the Bell states in such ring dimers, resulting from hyperfine interactions with nuclear spins. Based on a microscopic description of the molecules [3], we simulate the effect of inhomogeneous broadening, spectral diffusion and electron-nuclear entanglement on the electron-spin coherence, estimating the role of the different nuclei (and of possible chemical substitutions), as well as the effect of simple spin-echo sequences. References: [1] F. Troiani, et al., Phys. Rev. Lett. 94, 207208 (2005). [2] G. A. Timco, S: Carretta, F. Troiani et al., Nature Nanotech. 4, 173 (2009). [3] F. Troiani, V. Bellini, and M. Affronte, Phys. Rev. B 77, 054428 (2008).

  6. A Novel Quantum Blind Signature Scheme with Four-Particle Cluster States

    Science.gov (United States)

    Fan, Ling

    2016-03-01

    In an arbitrated quantum signature scheme, the signer signs the message and the receiver verifies the signature's validity with the assistance of the arbitrator. We present an arbitrated quantum blind signature scheme by measuring four-particle cluster states and coding. By using the special relationship of four-particle cluster states, we cannot only support the security of quantum signature, but also guarantee the anonymity of the message owner. It has a wide application to E-payment system, E-government, E-business, and etc.

  7. α-cluster states in {sup 46,54}Cr from double-folding potentials

    Energy Technology Data Exchange (ETDEWEB)

    Mohr, Peter [Diakonie-Klinikum, Schwaebisch Hall (Germany); Institute for Nuclear Research (Atomki), Debrecen (Hungary)

    2017-10-15

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

  8. The NIDS Cluster: Scalable, Stateful Network Intrusion Detection on Commodity Hardware

    Energy Technology Data Exchange (ETDEWEB)

    Tierney, Brian L; Vallentin, Matthias; Sommer, Robin; Lee, Jason; Leres, Craig; Paxson, Vern; Tierney, Brian

    2007-09-19

    In this work we present a NIDS cluster as a scalable solution for realizing high-performance, stateful network intrusion detection on commodity hardware. The design addresses three challenges: (i) distributing traffic evenly across an extensible set of analysis nodes in a fashion that minimizes the communication required for coordination, (ii) adapting the NIDS's operation to support coordinating its low-level analysis rather than just aggregating alerts; and (iii) validating that the cluster produces sound results. Prototypes of our NIDS cluster now operate at the Lawrence Berkeley National Laboratory and the University of California at Berkeley. In both environments the clusters greatly enhance the power of the network security monitoring.

  9. Structural Characterizations of Palladium Clusters Prepared by Polyol Reduction of [PdCl4]2− Ions

    Directory of Open Access Journals (Sweden)

    Loredana Schiavo

    2016-01-01

    Full Text Available Palladium nanoparticles are of great interest in many industrial fields, ranging from catalysis and hydrogen technology to microelectronics, thanks to their unique physical and chemical properties. In this work, palladium clusters have been prepared by reduction of [PdCl4]2− ions with ethylene glycol, in the presence of poly(N-vinyl-2-pyrrolidone (PVP as stabilizer. The stabilizer performs the important role of nucleating agent for the Pd atoms with a fast phase separation, since palladium atoms coordinated to the polymer side-groups are forced at short distances during nucleation. Quasispherical palladium clusters with a diameter of ca. 2.6 nm were obtained by reaction in air at 90°C for 2 hours. An extensive materials characterization by transmission electron microscopy (TEM, X-ray diffraction (XRD, X-ray photoelectron spectroscopy (XPS, and other characterizations (TGA, SEM, EDS-SEM, and UV-Vis has been performed in order to evaluate the structure and oxidation state of nanopalladium.

  10. Bimetallic octahedral ruthenium-nickel carbido cluster complexes. Synthesis and structural characterization.

    Science.gov (United States)

    Saha, Sumit; Zhu, Lei; Captain, Burjor

    2013-03-04

    The reaction of Ru5(CO)15(μ5-C) with Ni(COD)2 in acetonitrile at 80 °C affords the bimetallic octahedral ruthenium-nickel cluster complex Ru5Ni(NCMe)(CO)15(μ6-C), 3. The acetonitrile ligand in 3 can be replaced by CO and NH3 to yield Ru5Ni(CO)16(μ6-C), 4, and Ru5Ni(NH3)(CO)15(μ6-C), 5, respectively. Photolysis of compound 3 in benzene and toluene solvent yielded the η(6)-coordinated benzene and toluene Ru5Ni carbido cluster complexes Ru5Ni(CO)13(η(6)-C6H6)(μ6-C), 6, and Ru5Ni(CO)13(η(6)-C7H8)(μ6-C), 7, respectively. All five new compounds were structurally characterized by single-crystal X-ray diffraction analyses.

  11. An Integrated Method 3D Velocity Model and Fuzzy Clustering for Fracture Characterization

    Science.gov (United States)

    Fattah, Erlangga Ibrahim; Nugraha, Andri Dian; Sule, Rachmat

    2017-04-01

    Enhanced Geothermal system assessment conducted to have a better understanding of characteristics of fracture caused by a fluid injection in the geothermal reservoir. Fluid injection may cause microseismic occur. These events allow us to map and characterize fractures in the geothermal system. Fractures play important role at the geothermal system due to its ability to increase permeability for fluid movement within the reservoir. In this study, we combined tomographic inversion method and fuzzy clustering to identify fracture characteristics at the EIF Geothermal Field. Tomography helped in delineating fluid-filled fractures with high permeability area which shown by lower velocity Vs anomaly than Vp and higher Vp/Vs ratio. Fuzzy clustering allowed us to map microseismic movement and estimate suitable locations for the future well injections or productions.

  12. XAFS Characterization of Platinum Clusters Synthesized in the Channel of a Mesoporous Zeolite

    OpenAIRE

    Shido, T.; Yamamoto, T.; Harada, M.; Ichikawa, M.

    1997-01-01

    [Pt15(CO)30]2- was synthesized by reductive carbonylation of H2PtCl6 in the channels of FSM-16 modified with NEt4Cl. The platinum clusters in the channels whose diameter was 28 Å were characterized by Pt LIII edge EXAFS as well as FT-IR. UV-vis spectroscopy, and TEM measurements. After exposure of H2PtCl6/NEt4Cl/FSM-16 to CO + H2O at 323 K, Pt carbonyl clusters were selectively produced. The Pi LIII edge EXAFS spectrum of this sample was exactly the same as that of [NEt4]2[Pt15(CO)30], and ga...

  13. Long-lived charge-separated states in ligand-stabilized silver clusters

    KAUST Repository

    Pelton, Matthew

    2012-07-25

    Recently developed synthesis methods allow for the production of atomically monodisperse clusters of silver atoms stabilized in solution by aromatic thiol ligands, which exhibit intense absorption peaks throughout the visible and near-IR spectral regions. Here we investigated the time-dependent optical properties of these clusters. We observed two kinetic processes following ultrafast laser excitation of any of the absorption peaks: a rapid decay, with a time constant of 1 ps or less, and a slow decay, with a time constant that can be longer than 300 ns. Both time constants decrease as the polarity of the solvent increases, indicating that the two processes correspond to the formation and recombination, respectively, of a charge-separated state. The long lifetime of this state and the broad optical absorption spectrum mean that the ligand-stabilized silver clusters are promising materials for solar energy harvesting. © 2012 American Chemical Society.

  14. Characterization of Spaces of Filtering States

    Science.gov (United States)

    Navara, Mirko

    2010-12-01

    Filtering states on orthomodular lattices have been introduced by G.T. Rüttimann as an “opposite” of completely additive states. He proved that they form a face of the state space. The question which faces can be the sets of filtering states remained open. Here we prove that, for any semi-exposed face F of a compact convex set C, there is an orthomodular lattice L and an affine homeomorphism φ of C onto the state space of L such that φ( F) is the space of filtering states.

  15. Communication: Application of state-specific multireference coupled cluster methods to core-level excitations

    Czech Academy of Sciences Publication Activity Database

    Brabec, Jiří; Bhaskaran-Neir, K.; Govind, N.; Pittner, Jiří

    2012-01-01

    Roč. 137, č. 17 (2012), s. 171101 ISSN 0021-9606 R&D Projects: GA ČR GAP208/11/2222 Institutional support: RVO:61388955 Keywords : coupled cluster calculations * electron correlations * excited states Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.164, year: 2012

  16. Iterative universal state selective correction for the Brillouin-Wigner multireference coupled-cluster theory

    Czech Academy of Sciences Publication Activity Database

    Banik, Subrata; Ravichandran, Lalitha; Brabec, J.; Hubač, I.; Kowalski, K.; Pittner, Jiří

    2015-01-01

    Roč. 142, č. 11 (2015), s. 114106 ISSN 0021-9606 R&D Projects: GA MŠk LH13117; GA ČR GAP208/11/2222 Institutional support: RVO:61388955 Keywords : QUADRUPLY EXCITED CLUSTER S * QUASI-DEGENERATE STATES * DOUBLE-EXCITATION MODEL Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.894, year: 2015

  17. Search for 12 C+ 12 C clustering in 24 Mg ground state

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 88; Issue 2. Search for 12C+12C clustering in 24Mg ground state. B N JOSHI ARUN K JAIN D C BISWAS B V JOHN Y K GUPTA L S DANU R P VIND G K PRAJAPATI S MUKHOPADHYAY A SAXENA. Regular Volume 88 Issue 2 February 2017 Article ID 29 ...

  18. Identifying Subgroups of Tinnitus Using Novel Resting State fMRI Biomarkers and Cluster Analysis

    Science.gov (United States)

    2016-10-01

    project activities, for the purpose of enhancing public understanding and increasing interest in learning and careers in science, technology, and the... Unsupervised hierarchical clustering of resting state functional connectivity data to identify patients with mild tinnitus. Poster session presented...including drafting of IRB behavioral and scanning protocols, advising on recruiting and initial data collection. She also supervised analysis of data and

  19. Vibrational dynamics of aniline (N2)1 clusters in their first excited singlet state

    Science.gov (United States)

    Hineman, M. F.; Kim, S. K.; Bernstein, E. R.; Kelley, D. F.

    1992-04-01

    The first excited singlet state S1 vibrational dynamics of aniline(N2)1 clusters are studied and compared to previous results on aniline(CH4)1 and aniline(Ar)1. Intramolecular vibrational energy redistribution (IVR) and vibrational predissociation (VP) rates fall between the two extremes of the CH4 (fast IVR, slow VP) and Ar (slow IVR, fast VP) cluster results as is predicted by a serial IVR/VP model using Fermi's golden rule to describe IVR processes and a restricted Rice-Ramsperger-Kassel-Marcus (RRKM) theory to describe unimolecular VP rates. The density of states is the most important factor determining the rates. Two product states, 00 and 10b1, of bare aniline and one intermediate state ˜(00) in the overall IVR/VP process are observed and time resolved measurements are obtained for the 000 and ˜(000) transitions. The results are modeled with the serial mechanism described above.

  20. Open-Source Sequence Clustering Methods Improve the State Of the Art.

    Science.gov (United States)

    Kopylova, Evguenia; Navas-Molina, Jose A; Mercier, Céline; Xu, Zhenjiang Zech; Mahé, Frédéric; He, Yan; Zhou, Hong-Wei; Rognes, Torbjørn; Caporaso, J Gregory; Knight, Rob

    2016-01-01

    Sequence clustering is a common early step in amplicon-based microbial community analysis, when raw sequencing reads are clustered into operational taxonomic units (OTUs) to reduce the run time of subsequent analysis steps. Here, we evaluated the performance of recently released state-of-the-art open-source clustering software products, namely, OTUCLUST, Swarm, SUMACLUST, and SortMeRNA, against current principal options (UCLUST and USEARCH) in QIIME, hierarchical clustering methods in mothur, and USEARCH's most recent clustering algorithm, UPARSE. All the latest open-source tools showed promising results, reporting up to 60% fewer spurious OTUs than UCLUST, indicating that the underlying clustering algorithm can vastly reduce the number of these derived OTUs. Furthermore, we observed that stringent quality filtering, such as is done in UPARSE, can cause a significant underestimation of species abundance and diversity, leading to incorrect biological results. Swarm, SUMACLUST, and SortMeRNA have been included in the QIIME 1.9.0 release. IMPORTANCE Massive collections of next-generation sequencing data call for fast, accurate, and easily accessible bioinformatics algorithms to perform sequence clustering. A comprehensive benchmark is presented, including open-source tools and the popular USEARCH suite. Simulated, mock, and environmental communities were used to analyze sensitivity, selectivity, species diversity (alpha and beta), and taxonomic composition. The results demonstrate that recent clustering algorithms can significantly improve accuracy and preserve estimated diversity without the application of aggressive filtering. Moreover, these tools are all open source, apply multiple levels of multithreading, and scale to the demands of modern next-generation sequencing data, which is essential for the analysis of massive multidisciplinary studies such as the Earth Microbiome Project (EMP) (J. A. Gilbert, J. K. Jansson, and R. Knight, BMC Biol 12:69, 2014, http

  1. Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianions

    International Nuclear Information System (INIS)

    Ehara, Masahiro; Piecuch, Piotr; Lutz, Jesse J.; Gour, Jeffrey R.

    2012-01-01

    Graphical abstract: Electronically excited states of CuCl 4 2- and CuBr 4 2- are determined using the scalar relativistic symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster calculations. The results are compared with experimental spectra. Highlights: ► Electronic spectra of CuCl 4 2- and CuBr 4 2- are examined by SAC-CI and EOMCC methods. ► Relativistic SAC-CI and EOMCC results are compared with experimental spectra. ► An assignment of bands in the CuCl 4 2- and CuBr 4 2- absorption spectra is obtained. ► Relativistic effects affect excitation energies and ground-state geometries. ► The effect of relativity on the oscillator strengths is generally small. - Abstract: The valence excitation spectra of the copper tetrachloride and copper tetrabromide open-shell dianions, CuCl 4 2- and CuBr 4 2- , respectively, are investigated by a variety of symmetry-adapted-cluster configuration-interaction (SAC-CI) and equation-of-motion coupled-cluster (EOMCC) methods. The valence excited states of the CuCl 4 2- and CuBr 4 2- species that correspond to transitions from doubly occupied molecular orbitals (MOs) to a singly occupied MO (SOMO), for which experimental spectra are available, are examined with the ionized (IP) variants of the SAC-CI and EOMCC methods. The higher-energy excited states of CuCl 4 2- and CuBr 4 2- that correspond to transitions from SOMO to unoccupied MOs, which have not been characterized experimentally, are determined using the electron-attached (EA) SAC-CI and EOMCC approaches. An emphasis is placed on the scalar relativistic SAC-CI and EOMCC calculations based on the spin-free part of the second-order Douglass–Kroll–Hess Hamiltonian (DKH2) and on a comparison of the results of the IP and EA SAC-CI and EOMCC calculations with up to 2-hole-1-particle (2h-1p) and 2-particle-1-hole (2p-1h) excitations, referred to as the IP-SAC-CI SD-R and IP-EOMCCSD(2h-1p) methods in the IP case and EA-SAC-CI SD-R and EA

  2. Production and characterization of protonated molecular clusters containing a given number of water molecules with the DIAM set-up

    International Nuclear Information System (INIS)

    Bruny, G.

    2010-01-01

    nano-scale characterization of irradiation in bio-molecular systems requires observation of novel features which are now achievable with the recent technical progress. This work is a central part in the development of DIAM which is a new experimental set-up devoted to irradiation of bio-molecular clusters at the Institut de Physique Nucleaire de Lyon. The development of the cluster source and of a double focusing mass spectrometer leads to the production of intense beams of mass selected protonated molecular clusters. Combined with this mass selected cluster beams an innovative detection technique is demonstrated in collision induced dissociation experiments. The results contribute to the knowledge of the stability and the structure of the small protonated water clusters and mixed clusters of water and pyridine. (author)

  3. Storage of polarization-encoded cluster states in an atomic system

    Science.gov (United States)

    Yuan, Chun-Hua; Chen, Li-Qing; Zhang, Weiping

    2009-05-01

    We present a scheme for entanglement of macroscopic atomic ensembles which are four spatially separate regions of an atomic cloud using cluster-correlated beams. We show that the cluster-type polarization-encoded entanglement could be mapped onto the long-lived collective ground state of the atomic ensembles, and the stored entanglement could be retrieved based on the technique of electromagnetically induced transparency. We also discuss the efficiency of, the lifetime of, and some quantitative restrictions to the proposed quantum memory.

  4. Electrodeposition of Isolated Platinum Atoms and Clusters on Bismuth-Characterization and Electrocatalysis.

    Science.gov (United States)

    Zhou, Min; Dick, Jeffrey E; Bard, Allen J

    2017-12-06

    We describe a method for the electrodeposition of an isolated single Pt atom or small cluster, up to 9 atoms, on a bismuth ultramicroelectrode (UME). This deposition was immediately followed by electrochemical characterization via the hydrogen evolution reaction (HER) that occurs readily on the electrodeposited Pt but not on Bi. The observed voltammetric current plateau, even for a single atom, which behaves as an electrode, allows the estimation of deposit size. Pt was plated from solutions of femtomolar PtCl 6 2- , which allowed precise control of the arrival of ions and thus the plating rate on the Bi UME, to one ion every few seconds. This allowed the atom-by-atom fabrication of isolated platinum deposits, ranging from single atoms to 9-atom clusters. The limiting currents in voltammetry gave the size and number of atoms of the clusters. Given the stochasticity of the plating process, we show that the number of atoms plated over a given time (10 and 20 s) follows a Poisson distribution. Taking the potential at a certain current density as a measure of the relative rate of the HER, we found that the potential shifted positively as the size increased, with single atoms showing the largest overpotentials compared to bulk Pt.

  5. Characterizing the degree of convective clustering using radar reflectivity and its application to evaluating model simulations

    Science.gov (United States)

    Cheng, W. Y.; Kim, D.; Rowe, A.; Park, S.

    2017-12-01

    Despite the impact of mesoscale convective organization on the properties of convection (e.g., mixing between updrafts and environment), parameterizing the degree of convective organization has only recently been attempted in cumulus parameterization schemes (e.g., Unified Convection Scheme UNICON). Additionally, challenges remain in determining the degree of convective organization from observations and in comparing directly with the organization metrics in model simulations. This study addresses the need to objectively quantify the degree of mesoscale convective organization using high quality S-PolKa radar data from the DYNAMO field campaign. One of the most noticeable aspects of mesoscale convective organization in radar data is the degree of convective clustering, which can be characterized by the number and size distribution of convective echoes and the distance between them. We propose a method of defining contiguous convective echoes (CCEs) using precipitating convective echoes identified by a rain type classification algorithm. Two classification algorithms, Steiner et al. (1995) and Powell et al. (2016), are tested and evaluated against high-resolution WRF simulations to determine which method better represents the degree of convective clustering. Our results suggest that the CCEs based on Powell et al.'s algorithm better represent the dynamical properties of the convective updrafts and thus provide the basis of a metric for convective organization. Furthermore, through a comparison with the observational data, the WRF simulations driven by the DYNAMO large-scale forcing, similarly applied to UNICON Single Column Model simulations, will allow us to evaluate the ability of both WRF and UNICON to simulate convective clustering. This evaluation is based on the physical processes that are explicitly represented in WRF and UNICON, including the mechanisms leading to convective clustering, and the feedback to the convective properties.

  6. Molecular Characterization and Cluster Analysis of Field Isolates of Avian Infectious Laryngotracheitis Virus from Argentina

    Directory of Open Access Journals (Sweden)

    María I. Craig

    2017-12-01

    Full Text Available Avian infectious laryngotracheitis (ILT is a worldwide infectious disease that causes important economic losses in the poultry industry. Although it is known that ILT virus (ILTV is present in Argentina, there is no information about the circulating strains. With the aim to characterize them, seven different genomic regions (thymidine kinase, glycoproteins D, G, B, C, and J, and infected cell polypeptide 4 were partially sequenced and compared between field samples. The gJ sequence resulted to be the most informative segment, it allowed the differentiation among field sample strains, and also, between wild and vaccine viruses. Specific changes in selected nucleotidic positions led to the definition of five distinct haplotypes. Tests for detection of clustering were run to test the null hypothesis that ILTV haplotypes were randomly distributed in time in Argentina and in space in the most densely populated poultry region of this country, Entre Rios. From this study, it was possible to identify a 46 km radius cluster in which higher proportions of haplotypes 4 and 5 were observed, next to a provincial route in Entre Rios and a significant decline of haplotype 5 between 2009 and 2011. Results here provide an update on the molecular epidemiology of ILT in Argentina, including data on specific genome segments that may be used for rapid characterization of the virus in the field. Ultimately, results will contribute to the surveillance of ILT in the country.

  7. Characterization of the cathelicidin cluster in the Japanese quail (Coturnix japonica).

    Science.gov (United States)

    Ishige, Taichiro; Hara, Hiromi; Hirano, Takashi; Kono, Tomohiro; Hanzawa, Kei

    2017-09-01

    The Japanese quail has several advantages as a low-fat meat bird with high immunity against diseases. Cathelicidins (CATHs) are antimicrobial peptides that play an important role in innate immunity. The aim of this study was to characterize the CATH cluster in the Japanese quail (Coturnix japonica). The Japanese quail CATH (CjCATH) cluster, contains four CATH genes, as in the chicken. The coding sequences of CjCATHs exhibited >85.3% identity to chicken CATHs. The predicted amino acid sequences of the four CjCATH genes contained the cathelin-like domain characteristic of CATH proteins. Polymorphisms were detected in the open reading frames (ORFs) of all CjCATH sequences. Two amino acid substitutions were observed in the antimicrobial region of the mature peptide of CjCATH2, and predicted to influence peptide function. CjCATH1 is expressed in lung, heart, bone marrow and bursa of Fabricius (BF). CjCATH2 is expressed in bone marrow. CjCATH3 is expressed in lung, heart, bone marrow, BF, tongue and duodenum. CjCATHB1 is expressed in bone marrow and BF. This study is the first to characterize CATH genes in the Japanese quail, and identifies novel antimicrobial peptide sequences belonging to the cathelicidin family, which may play a role in immunity in this species. © 2017 Japanese Society of Animal Science.

  8. Multi-party Measurement-Device-Independent Quantum Key Distribution Based on Cluster States

    Science.gov (United States)

    Liu, Chuanqi; Zhu, Changhua; Ma, Shuquan; Pei, Changxing

    2018-03-01

    We propose a novel multi-party measurement-device-independent quantum key distribution (MDI-QKD) protocol based on cluster states. A four-photon analyzer which can distinguish all the 16 cluster states serves as the measurement device for four-party MDI-QKD. Any two out of four participants can build secure keys after the analyzers obtains successful outputs and the two participants perform post-processing. We derive a security analysis for the protocol, and analyze the key rates under different values of polarization misalignment. The results show that four-party MDI-QKD is feasible over 280 km in the optical fiber channel when the key rate is about 10- 6 with the polarization misalignment parameter 0.015. Moreover, our work takes an important step toward a quantum communication network.

  9. Globular cluster neutron stars and the determination of the dense matter equation of state

    Science.gov (United States)

    Guillot, Sebastien

    2016-09-01

    Combining measurements of the mass and radius of multiple neutron stars (NSs) represents the most promising way to determine the equation of state of dense NS matter. NSs in quiescent low-mass x-ray binaries (qLMXB) located in globular clusters have placed useful constraints on the equation of state. The statistical approaches combining measurements from multiple NSs can be further improved by the addition of more NS observations. We propose here to obtain a high signal to noise spectrum of the qLMXB in M30, the only low-absorption globular cluster qLMXBs that does not have deep X-ray observations, and which requires Chandra unmatched angular resolution. The 300 ks proposed observation will permit measurement of the NS radius with 12-15% uncertainties.

  10. Multi-party Measurement-Device-Independent Quantum Key Distribution Based on Cluster States

    Science.gov (United States)

    Liu, Chuanqi; Zhu, Changhua; Ma, Shuquan; Pei, Changxing

    2017-12-01

    We propose a novel multi-party measurement-device-independent quantum key distribution (MDI-QKD) protocol based on cluster states. A four-photon analyzer which can distinguish all the 16 cluster states serves as the measurement device for four-party MDI-QKD. Any two out of four participants can build secure keys after the analyzers obtains successful outputs and the two participants perform post-processing. We derive a security analysis for the protocol, and analyze the key rates under different values of polarization misalignment. The results show that four-party MDI-QKD is feasible over 280 km in the optical fiber channel when the key rate is about 10- 6 with the polarization misalignment parameter 0.015. Moreover, our work takes an important step toward a quantum communication network.

  11. INTEGRATING BUSINESS INTELLIGENCE IN STATE ADMINISTRATIVE STRUCTURES FOR STIMULATING INNOVATIVE CLUSTERS

    Directory of Open Access Journals (Sweden)

    Ioana COMSULEA

    2014-12-01

    Full Text Available Business intelligence and knowledge management seems to gain the attention of the society regarding the benefits that brings to it when this two domains are considered as a whole. The advantage of using business intelligence in order to take decisions and bring innovation to the business, are convincing more and more entrepreneurs to implement this solution. The challenge in managing and using the knowledge that the business intelligence offers to the business, comes with the integration of the information with state administrative structures datas that have to be available to business clusters in order to improve their decisional process. In our paper, we demonstrate the benefits of using business intelligence in Romanian state administrative structures underlying the way that this adoption would support the activity of innovative and creative clusters.

  12. Hyperdeformed states in 36Ar and 48Cr in the cranked cluster model

    Science.gov (United States)

    Rae, W. D. M.; Merchant, A. C.

    1992-04-01

    The pure harmonic oscillator model predicts a family of axially symmetric hyperdeformed states with 3:1 major to minor axis ratios. Two members of this family have previously been identified in 12C and 24Mg within the Bloch-Brink alpha-cluster model. Here we present cranked cluster model calculations for similar hyperdeformed states in 36Ar and 48Cr. We suggest that the configuration in 48Cr is associated with resonances observed in 24Mg+24Mg scattering, while that in 36Ar may be involved in the excitation of the 12C+12C barrier resonances reported recently in the 12C(24Mg, 12C, 12C)12C reaction and also in the excitation of those resonances previously observed in the 20Ne+16O reaction. Permanent address: Instituto de Estudos Avançados, Centro Técnico Aeroespacial, 12225 Sa~o José dos Campos, Sa~o Paulo, Brazil.

  13. Cluster analysis applied to the spatial and temporal variability of monthly rainfall in Mato Grosso do Sul State, Brazil

    Science.gov (United States)

    Teodoro, Paulo Eduardo; de Oliveira-Júnior, José Francisco; da Cunha, Elias Rodrigues; Correa, Caio Cezar Guedes; Torres, Francisco Eduardo; Bacani, Vitor Matheus; Gois, Givanildo; Ribeiro, Larissa Pereira

    2016-04-01

    The State of Mato Grosso do Sul (MS) located in Brazil Midwest is devoid of climatological studies, mainly in the characterization of rainfall regime and producers' meteorological systems and rain inhibitors. This state has different soil and climatic characteristics distributed among three biomes: Cerrado, Atlantic Forest and Pantanal. This study aimed to apply the cluster analysis using Ward's algorithm and identify those meteorological systems that affect the rainfall regime in the biomes. The rainfall data of 32 stations (sites) of the MS State were obtained from the Agência Nacional de Águas (ANA) database, collected from 1954 to 2013. In each of the 384 monthly rainfall temporal series was calculated the average and applied the Ward's algorithm to identify spatial and temporal variability of rainfall. Bartlett's test revealed only in January homogeneous variance at all sites. Run test showed that there was no increase or decrease in trend of monthly rainfall. Cluster analysis identified five rainfall homogeneous regions in the MS State, followed by three seasons (rainy, transitional and dry). The rainy season occurs during the months of November, December, January, February and March. The transitional season ranges between the months of April and May, September and October. The dry season occurs in June, July and August. The groups G1, G4 and G5 are influenced by South Atlantic Subtropical Anticyclone (SASA), Chaco's Low (CL), Bolivia's High (BH), Low Levels Jet (LLJ) and South Atlantic Convergence Zone (SACZ) and Maden-Julian Oscillation (MJO). Group G2 is influenced by Upper Tropospheric Cyclonic Vortex (UTCV) and Front Systems (FS). The group G3 is affected by UTCV, FS and SACZ. The meteorological systems' interaction that operates in each biome and the altitude causes the rainfall spatial and temporal diversity in MS State.

  14. CHARACTERIZING THE PSYCHOLOGICAL STATE PRODUCED BY LSD.

    Science.gov (United States)

    KATZ, MARTIN M.; AND OTHERS

    THE DEVELOPMENT AND COMPONENTS OF LYSERGIC ACID DIETHYLAMIDE (LSD) PRODUCED PSYCHOLOGICAL STATES ARE INVESTIGATED. THE SUBJECTS WERE PAID VOLUNTEERS FROM THE PATUXENT INSTITUTION, A TREATMENT CENTER FOR EMOTIONALLY UNSTABLE CRIMINAL OFFENDERS. IN ONE STUDY, GROUPS OF 23 SUBJECTS RECEIVED LSD, AN AMPHETAMINE, OR A PLACEBO. IN THE SECOND STUDY, 11…

  15. Geographical Clusters of Rape in the United States: 2000-2012

    Science.gov (United States)

    Amin, Raid; Nabors, Nicole S.; Nelson, Arlene M.; Saqlain, Murshid; Kulldorff, Martin

    2016-01-01

    Background While rape is a very serious crime and public health problem, no spatial mapping has been attempted for rape on the national scale. This paper addresses the three research questions: (1) Are reported rape cases randomly distributed across the USA, after being adjusted for population density and age, or are there geographical clusters of reported rape cases? (2) Are the geographical clusters of reported rapes still present after adjusting for differences in poverty levels? (3) Are there geographical clusters where the proportion of reported rape cases that lead to an arrest is exceptionally low or exceptionally high? Methods We studied the geographical variation of reported rape events (2003-2012) and rape arrests (2000-2012) in the 48 contiguous states of the USA. The disease Surveillance software SaTScan™ with its spatial scan statistic is used to evaluate the spatial variation in rapes. The spatial scan statistic has been widely used as a geographical surveillance tool for diseases, and we used it to identify geographical areas with clusters of reported rape and clusters of arrest rates for rape. Results The spatial scan statistic was used to identify geographical areas with exceptionally high rates of reported rape. The analyses were adjusted for age, and in secondary analyses, for both age and poverty level. We also identified geographical areas with either a low or a high proportion of reported rapes leading to an arrest. Conclusions We have identified geographical areas with exceptionally high (low) rates of reported rape. The geographical problem areas identified are prime candidates for more intensive preventive counseling and criminal prosecution efforts by public health, social service, and law enforcement agencies Geographical clusters of high rates of reported rape are prime areas in need of expanded implementation of preventive measures, such as changing attitudes in our society toward rape crimes, in addition to having the criminal

  16. State-of-the-art multi-wavelength observations of nearby brightest group/cluster galaxies

    Science.gov (United States)

    Gendron-Marsolais, Marie-Lou; Hlavacek-Larrondo, Julie

    2018-01-01

    Nearby galaxy groups and clusters are crucial to our understanding of the impact of nuclear outbursts on the intracluster medium as their proximity allows us to study in detail the processes of feedback from active galactic nuclei in these systems. In this talk, I will present state-of-the-art multi-wavelength observations signatures of this mechanism.I will first show results on multi-configuration 230-470 MHz observations of the Perseus cluster from the Karl G. Jansky Very Large Array, probing the non-thermal emission from the old particle population of the AGN outflows. These observations reveal a multitude of new structures associated with the “mini-halo” and illustrate the high-quality images that can be obtained with the new JVLA at low radio-frequencies.Second, I will present new observations with the optical imaging Fourier transform spectrometer SITELLE (CFHT) of NGC 1275, the Perseus cluster's brightest galaxy. With its wide field of view, it is the only integral field unit spectroscopy instrument able to cover the large emission-line filamentary nebula in NGC 1275. I will present the first detailed velocity map of this nebula in its entirety and tackle the question of its origin (residual cooling flow or dragged gas).Finally, I will present deep Chandra observations of the nearby early-type massive elliptical galaxy NGC 4472, the most optically luminous galaxy in the local Universe, lying on the outskirts of the Virgo cluster. Enhanced X-ray rims around the radio lobes are detected and interpreted as gas uplifted from the core by the buoyant rise of the radio bubbles. We estimate the energy required to lift the gas to constitute a significant fraction of the total outburst energy.I will thus show how these high-fidelity observations of nearby brightest group/cluster galaxies are improving our understanding of the AGN feedback mechanism taking place in galaxy groups and clusters.

  17. Construction of the basis states with l=2 for a three-cluster system

    International Nuclear Information System (INIS)

    Filippov, G.F.; Dotsenko, I.S.; Lisetskiy, A.P.

    1995-01-01

    The harmonic-oscillator basis with L=2 for the description of three-cluster systems is constructed in the Fock-Bargmann representation. An algorithm of constructing the basis states by using the symmetry properties of the overlap integrals and the Wigner D-functions is developed. Some properties of the basis are analysed. The idea that the results of the present work hold also for the Two Rotor Model is stressed. 12 refs., 2 tab

  18. Many Worlds, the Cluster-state Quantum Computer, and the Problem of the Preferred Basis

    OpenAIRE

    Cuffaro, Michael

    2011-01-01

    I argue that the many worlds explanation of quantum computation is not licensed by, and in fact is conceptually inferior to, the many worlds interpretation of quantum mechanics from which it is derived. I argue that the many worlds explanation of quantum computation is incompatible with the recently developed cluster state model of quantum computation. Based on these considerations I conclude that we should reject the many worlds explanation of quantum computation.

  19. Genomic organization, tissue distribution and functional characterization of the rat Pate gene cluster.

    Directory of Open Access Journals (Sweden)

    Angireddy Rajesh

    Full Text Available The cysteine rich prostate and testis expressed (Pate proteins identified till date are thought to resemble the three fingered protein/urokinase-type plasminogen activator receptor proteins. In this study, for the first time, we report the identification, cloning and characterization of rat Pate gene cluster and also determine the expression pattern. The rat Pate genes are clustered on chromosome 8 and their predicted proteins retained the ten cysteine signature characteristic to TFP/Ly-6 protein family. PATE and PATE-F three dimensional protein structure was found to be similar to that of the toxin bucandin. Though Pate gene expression is thought to be prostate and testis specific, we observed that rat Pate genes are also expressed in seminal vesicle and epididymis and in tissues beyond the male reproductive tract. In the developing rats (20-60 day old, expression of Pate genes seem to be androgen dependent in the epididymis and testis. In the adult rat, androgen ablation resulted in down regulation of the majority of Pate genes in the epididymides. PATE and PATE-F proteins were found to be expressed abundantly in the male reproductive tract of rats and on the sperm. Recombinant PATE protein exhibited potent antibacterial activity, whereas PATE-F did not exhibit any antibacterial activity. Pate expression was induced in the epididymides when challenged with LPS. Based on our results, we conclude that rat PATE proteins may contribute to the reproductive and defense functions.

  20. Characterization of the biosynthetic gene cluster for cryptic phthoxazolin A in Streptomyces avermitilis.

    Directory of Open Access Journals (Sweden)

    Dian Anggraini Suroto

    Full Text Available Phthoxazolin A, an oxazole-containing polyketide, has a broad spectrum of anti-oomycete activity and herbicidal activity. We recently identified phthoxazolin A as a cryptic metabolite of Streptomyces avermitilis that produces the important anthelmintic agent avermectin. Even though genome data of S. avermitilis is publicly available, no plausible biosynthetic gene cluster for phthoxazolin A is apparent in the sequence data. Here, we identified and characterized the phthoxazolin A (ptx biosynthetic gene cluster through genome sequencing, comparative genomic analysis, and gene disruption. Sequence analysis uncovered that the putative ptx biosynthetic genes are laid on an extra genomic region that is not found in the public database, and 8 open reading frames in the extra genomic region could be assigned roles in the biosynthesis of the oxazole ring, triene polyketide and carbamoyl moieties. Disruption of the ptxA gene encoding a discrete acyltransferase resulted in a complete loss of phthoxazolin A production, confirming that the trans-AT type I PKS system is responsible for the phthoxazolin A biosynthesis. Based on the predicted functional domains in the ptx assembly line, we propose the biosynthetic pathway of phthoxazolin A.

  1. Identification, characterization and metagenome analysis of oocyte-specific genes organized in clusters in the mouse genome

    Directory of Open Access Journals (Sweden)

    Vaiman Daniel

    2005-05-01

    Full Text Available Abstract Background Genes specifically expressed in the oocyte play key roles in oogenesis, ovarian folliculogenesis, fertilization and/or early embryonic development. In an attempt to identify novel oocyte-specific genes in the mouse, we have used an in silico subtraction methodology, and we have focused our attention on genes that are organized in genomic clusters. Results In the present work, five clusters have been studied: a cluster of thirteen genes characterized by an F-box domain localized on chromosome 9, a cluster of six genes related to T-cell leukaemia/lymphoma protein 1 (Tcl1 on chromosome 12, a cluster composed of a SPErm-associated glutamate (E-Rich (Speer protein expressed in the oocyte in the vicinity of four unknown genes specifically expressed in the testis on chromosome 14, a cluster composed of the oocyte secreted protein-1 (Oosp-1 gene and two Oosp-related genes on chromosome 19, all three being characterized by a partial N-terminal zona pellucida-like domain, and another small cluster of two genes on chromosome 19 as well, composed of a TWIK-Related spinal cord K+ channel encoding-gene, and an unknown gene predicted in silico to be testis-specific. The specificity of expression was confirmed by RT-PCR and in situ hybridization for eight and five of them, respectively. Finally, we showed by comparing all of the isolated and clustered oocyte-specific genes identified so far in the mouse genome, that the oocyte-specific clusters are significantly closer to telomeres than isolated oocyte-specific genes are. Conclusion We have studied five clusters of genes specifically expressed in female, some of them being also expressed in male germ-cells. Moreover, contrarily to non-clustered oocyte-specific genes, those that are organized in clusters tend to map near chromosome ends, suggesting that this specific near-telomere position of oocyte-clusters in rodents could constitute an evolutionary advantage. Understanding the biological

  2. Microstructural characterization of atom clusters in irradiated pressure vessel steels and model alloys

    International Nuclear Information System (INIS)

    Auger, P.; Pareige, P.; Akamatsu, M.; Van Duysen, J.C.

    1993-01-01

    In order to characterize the microstructural evolution of iron solid solution under irradiation, two pressure vessel steels irradiated in service conditions, and, for comparison, low copper model alloys irradiated with neutrons and electrons, have been studied through small angle neutron scattering and atom probe experiments. In Fe-Cu model alloys, copper clusters are formed containing uncertain proportions of iron. In the low copper industrial steels, the feature is more complex; solute atoms such as Ni, Mn and Si, sometimes associated with Cu, segregate as ''clouds'' more or less condensed in the iron solid solution. These silicides, or at least Si, Ni, Mn association, may facilitate the copper segregation although the initial iron matrix contains a low copper concentration. (authors). 24 refs., 3 figs., 2 tabs

  3. A priori data-driven multi-clustered reservoir generation algorithm for echo state network.

    Directory of Open Access Journals (Sweden)

    Xiumin Li

    Full Text Available Echo state networks (ESNs with multi-clustered reservoir topology perform better in reservoir computing and robustness than those with random reservoir topology. However, these ESNs have a complex reservoir topology, which leads to difficulties in reservoir generation. This study focuses on the reservoir generation problem when ESN is used in environments with sufficient priori data available. Accordingly, a priori data-driven multi-cluster reservoir generation algorithm is proposed. The priori data in the proposed algorithm are used to evaluate reservoirs by calculating the precision and standard deviation of ESNs. The reservoirs are produced using the clustering method; only the reservoir with a better evaluation performance takes the place of a previous one. The final reservoir is obtained when its evaluation score reaches the preset requirement. The prediction experiment results obtained using the Mackey-Glass chaotic time series show that the proposed reservoir generation algorithm provides ESNs with extra prediction precision and increases the structure complexity of the network. Further experiments also reveal the appropriate values of the number of clusters and time window size to obtain optimal performance. The information entropy of the reservoir reaches the maximum when ESN gains the greatest precision.

  4. Perturbative triples corrections in state-specific multireference coupled cluster theory.

    Science.gov (United States)

    Evangelista, Francesco A; Prochnow, Eric; Gauss, Jürgen; Schaefer, Henry F

    2010-02-21

    We formulated and implemented a perturbative triples correction for the state-specific multireference coupled cluster approach with singles and doubles suggested by Mukherjee and co-workers, Mk-MRCCSD [Mol. Phys. 94, 157 (1998)]. Our derivation of the energy correction [Mk-MRCCSD(T)] is based on a constrained search for stationary points of the Mk-MRCC energy functional together with a perturbative expansion with respect to the appearing triples cluster operator. The Lambda-Mk-MRCCSD(T) approach derived in this way consists in (1) a correction to the off-diagonal matrix elements of the effective Hamiltonian which is unique to coupled cluster methods based on the Jeziorski-Monkhorst ansatz, and (2) an asymmetric energy correction to the diagonal elements of the effective Hamiltonian. The Mk-MRCCSD(T) correction is obtained from the Lambda-Mk-MRCCSD(T) method by approximating the singles and doubles Lagrange multipliers with the corresponding cluster amplitudes. We investigate the performance of the Mk-MRCCSD(T) method by applying it to the potential energy curve of the BeH(2) model and F(2) and the geometry and harmonic vibrational frequencies of ozone. Computation of the energy difference between the mono- and bicyclic forms of the 2,6-pyridyne diradical illustrates the potential of Mk-MRCCSD(T) as a tool for the study of realistic chemical problems requiring multireference zeroth-order wave functions.

  5. The association between mood state and chronobiological characteristics in bipolar I disorder: a naturalistic, variable cluster analysis-based study.

    Science.gov (United States)

    Gonzalez, Robert; Suppes, Trisha; Zeitzer, Jamie; McClung, Colleen; Tamminga, Carol; Tohen, Mauricio; Forero, Angelica; Dwivedi, Alok; Alvarado, Andres

    2018-02-19

    Multiple types of chronobiological disturbances have been reported in bipolar disorder, including characteristics associated with general activity levels, sleep, and rhythmicity. Previous studies have focused on examining the individual relationships between affective state and chronobiological characteristics. The aim of this study was to conduct a variable cluster analysis in order to ascertain how mood states are associated with chronobiological traits in bipolar I disorder (BDI). We hypothesized that manic symptomatology would be associated with disturbances of rhythm. Variable cluster analysis identified five chronobiological clusters in 105 BDI subjects. Cluster 1, comprising subjective sleep quality was associated with both mania and depression. Cluster 2, which comprised variables describing the degree of rhythmicity, was associated with mania. Significant associations between mood state and cluster analysis-identified chronobiological variables were noted. Disturbances of mood were associated with subjectively assessed sleep disturbances as opposed to objectively determined, actigraphy-based sleep variables. No associations with general activity variables were noted. Relationships between gender and medication classes in use and cluster analysis-identified chronobiological characteristics were noted. Exploratory analyses noted that medication class had a larger impact on these relationships than the number of psychiatric medications in use. In a BDI sample, variable cluster analysis was able to group related chronobiological variables. The results support our primary hypothesis that mood state, particularly mania, is associated with chronobiological disturbances. Further research is required in order to define these relationships and to determine the directionality of the associations between mood state and chronobiological characteristics.

  6. Characterization of deuterium clusters mixed with helium gas for an application in beam-target-fusion experiments

    Science.gov (United States)

    Bang, W.; Quevedo, H. J.; Bernstein, A. C.; Dyer, G.; Ihn, Y. S.; Cortez, J.; Aymond, F.; Gaul, E.; Donovan, M. E.; Barbui, M.; Bonasera, A.; Natowitz, J. B.; Albright, B. J.; Fernández, J. C.; Ditmire, T.

    2014-12-01

    We measured the average deuterium cluster size within a mixture of deuterium clusters and helium gas by detecting Rayleigh scattering signals. The average cluster size from the gas mixture was comparable to that from a pure deuterium gas when the total backing pressure and temperature of the gas mixture were the same as those of the pure deuterium gas. According to these measurements, the average size of deuterium clusters depends on the total pressure and not the partial pressure of deuterium in the gas mixture. To characterize the cluster source size further, a Faraday cup was used to measure the average kinetic energy of the ions resulting from Coulomb explosion of deuterium clusters upon irradiation by an intense ultrashort pulse. The deuterium ions indeed acquired a similar amount of energy from the mixture target, corroborating our measurements of the average cluster size. As the addition of helium atoms did not reduce the resulting ion kinetic energies, the reported results confirm the utility of using a known cluster source for beam-target-fusion experiments by introducing a secondary target gas.

  7. Characterization of the Iron-Sulfur Clusters in Xanthine Dehydrogenase Using Electron Paramagnetic Resonance Spectroscopy and Magnetic Coupling Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Scott, J. Robert

    2004-02-04

    Xanthine dehydrogenase is a metalloenzyme that is present in numerous eukaryotic and prokaryotic organisms. It contains molybdenum, two different iron-sulfur clusters, and flavin. While the structures of both iron-sulfur clusters were known, it was unclear as to which structure was in which location. Electron paramagnetic resonance spectroscopy probes the paramagnetic qualities of molecules or ions. With this technology we wished to understand which EPR spectrum was associated with which iron-sulfur cluster by looking at magnetic coupling between the paramagnetic Mo(V) oxidation state and the reduced iron-sulfur clusters. We then assigned the clusters to their corresponding locations. The spin-spin interactions observed between Mo(V) and Fe-S I in xanthine dehydrogenase at low temperature show that Fe-S I is the closer site in contrast to Fe-S II.

  8. Effect of mesoscopic fluctuations on equation of state in cluster-forming systems

    Directory of Open Access Journals (Sweden)

    A. Ciach

    2012-06-01

    Full Text Available Equation of state for systems with particles self-assembling into aggregates is derived within a mesoscopic theory combining density functional and field-theoretic approaches. We focus on the effect of mesoscopic fluctuations in the disordered phase. The pressure - volume fraction isotherms are calculated explicitly for two forms of the short-range attraction long-range repulsion potential. Mesoscopic fluctuations lead to an increased pressure in each case, except for very small volume fractions. When large clusters are formed, the mechanical instability of the system is present at much higher temperature than found in mean-field approximation. In this case phase separation competes with the formation of periodic phases (colloidal crystals. In the case of small clusters, no mechanical instability associated with separation into dilute and dense phases appears.

  9. Research on the method of information system risk state estimation based on clustering particle filter

    Directory of Open Access Journals (Sweden)

    Cui Jia

    2017-05-01

    Full Text Available With the purpose of reinforcing correlation analysis of risk assessment threat factors, a dynamic assessment method of safety risks based on particle filtering is proposed, which takes threat analysis as the core. Based on the risk assessment standards, the method selects threat indicates, applies a particle filtering algorithm to calculate influencing weight of threat indications, and confirms information system risk levels by combining with state estimation theory. In order to improve the calculating efficiency of the particle filtering algorithm, the k-means cluster algorithm is introduced to the particle filtering algorithm. By clustering all particles, the author regards centroid as the representative to operate, so as to reduce calculated amount. The empirical experience indicates that the method can embody the relation of mutual dependence and influence in risk elements reasonably. Under the circumstance of limited information, it provides the scientific basis on fabricating a risk management control strategy.

  10. Research on the method of information system risk state estimation based on clustering particle filter

    Science.gov (United States)

    Cui, Jia; Hong, Bei; Jiang, Xuepeng; Chen, Qinghua

    2017-05-01

    With the purpose of reinforcing correlation analysis of risk assessment threat factors, a dynamic assessment method of safety risks based on particle filtering is proposed, which takes threat analysis as the core. Based on the risk assessment standards, the method selects threat indicates, applies a particle filtering algorithm to calculate influencing weight of threat indications, and confirms information system risk levels by combining with state estimation theory. In order to improve the calculating efficiency of the particle filtering algorithm, the k-means cluster algorithm is introduced to the particle filtering algorithm. By clustering all particles, the author regards centroid as the representative to operate, so as to reduce calculated amount. The empirical experience indicates that the method can embody the relation of mutual dependence and influence in risk elements reasonably. Under the circumstance of limited information, it provides the scientific basis on fabricating a risk management control strategy.

  11. Health state evaluation of shield tunnel SHM using fuzzy cluster method

    Science.gov (United States)

    Zhou, Fa; Zhang, Wei; Sun, Ke; Shi, Bin

    2015-04-01

    Shield tunnel SHM is in the path of rapid development currently while massive monitoring data processing and quantitative health grading remain a real challenge, since multiple sensors belonging to different types are employed in SHM system. This paper addressed the fuzzy cluster method based on fuzzy equivalence relationship for the health evaluation of shield tunnel SHM. The method was optimized by exporting the FSV map to automatically generate the threshold value. A new holistic health score(HHS) was proposed and its effectiveness was validated by conducting a pilot test. A case study on Nanjing Yangtze River Tunnel was presented to apply this method. Three types of indicators, namely soil pressure, pore pressure and steel strain, were used to develop the evaluation set U. The clustering results were verified by analyzing the engineering geological conditions; the applicability and validity of the proposed method was also demonstrated. Besides, the advantage of multi-factor evaluation over single-factor model was discussed by using the proposed HHS. This investigation indicated the fuzzy cluster method and HHS is capable of characterizing the fuzziness of tunnel health, and it is beneficial to clarify the tunnel health evaluation uncertainties.

  12. Hydrophobic clustering in nonnative states of a protein: Interpretation of chemical shifts in NMR spectra of denatured states of lysozyme

    International Nuclear Information System (INIS)

    Evans, P.A.; Topping, K.D.; Woolfson, D.N.; Dobson, C.M.

    1991-01-01

    Chemical shifts of resonances of specific protons in the 1H NMR spectrum of thermally denatured hen lysozyme have been determined by exchange correlation with assigned native state resonances in 2D NOESY spectra obtained under conditions where the two states are interconverting. There are subtle but widespread deviations of the measured shifts from the values which would be anticipated for a random coil; in the case of side chain protons these are virtually all net upfield shifts and it is shown that this may be the averaged effect of interactions with aromatic rings in a partially collapsed denatured state. In a very few cases, notably that of two sequential tryptophan residues, it is possible to interpret these effects in terms of specific, local interresidue interactions. Generally, however, there is no correlation with either native state shift perturbations or with sequence proximity to aromatic groups. Diminution of most of the residual shift perturbations on reduction of the disulfide cross-links confirms that they are not simply effects of residues adjacent in the sequence. Similar effects of chemical denaturants, with the disulfides intact, demonstrate that the shift perturbations reflect an enhanced tendency to side chain clustering in the thermally denatured state. The temperature dependences of the shift perturbations suggest that this clustering is noncooperative and is driven by small, favorable enthalpy changes. While the extent of conformational averaging is clearly much greater than that observed for a homologous protein, alpha-lactalbumin, in its partially folded molten globule state, the results clearly show that thermally denatured lysozyme differs substantially from a random coil, principally in that it is partially hydrophobically collapsed

  13. Cluster expansion of the wavefunction. Electron correlations in ground and excited states by SAC (symmetry-adapted-cluster) and SAC CI theories

    International Nuclear Information System (INIS)

    Nakatsuji, H.

    1979-01-01

    The solutions of the SAC (symmetry-adapated-cluster) and SAC CI theories for the study of electron correlations in ground and excited states, respectively have been summarized. Variational and non-variational solutions are considered for both theories and their features are discussed. (Auth.)

  14. Probabilistic Broadcast-Based Multiparty Remote State Preparation scheme via Four-Qubit Cluster State

    Science.gov (United States)

    Zhou, Yun-Jing; Tao, Yuan-Hong

    2018-02-01

    In this letter,we propose a broadcast-based multiparty remote state preparation scheme which realizes the process among three participants. It allows two distant receivers to obtain the arbitrary single-qubit states separately and simultaneously, and the success probability is {d2}/{1+d2}, thus generalize the results in Yu et al. (Quantum. Inf. Process 16(2), 41, 2017).

  15. Detecting brain dynamics during resting state: a tensor based evolutionary clustering approach

    Science.gov (United States)

    Al-sharoa, Esraa; Al-khassaweneh, Mahmood; Aviyente, Selin

    2017-08-01

    Human brain is a complex network with connections across different regions. Understanding the functional connectivity (FC) of the brain is important both during resting state and task; as disruptions in connectivity patterns are indicators of different psychopathological and neurological diseases. In this work, we study the resting state functional connectivity networks (FCNs) of the brain from fMRI BOLD signals. Recent studies have shown that FCNs are dynamic even during resting state and understanding the temporal dynamics of FCNs is important for differentiating between different conditions. Therefore, it is important to develop algorithms to track the dynamic formation and dissociation of FCNs of the brain during resting state. In this paper, we propose a two step tensor based community detection algorithm to identify and track the brain network community structure across time. First, we introduce an information-theoretic function to reduce the dynamic FCN and identify the time points that are similar topologically to combine them into a tensor. These time points will be used to identify the different FC states. Second, a tensor based spectral clustering approach is developed to identify the community structure of the constructed tensors. The proposed algorithm applies Tucker decomposition to the constructed tensors and extract the orthogonal factor matrices along the connectivity mode to determine the common subspace within each FC state. The detected community structure is summarized and described as FC states. The results illustrate the dynamic structure of resting state networks (RSNs), including the default mode network, somatomotor network, subcortical network and visual network.

  16. Characterization and application of microearthquake clusters to problems of scaling, fault zone dynamics, and seismic monitoring at Parkfield, California

    Energy Technology Data Exchange (ETDEWEB)

    Nadeau, Robert Michael [Univ. of California, Berkeley, CA (United States)

    1995-10-01

    This document contains information about the characterization and application of microearthquake clusters and fault zone dynamics. Topics discussed include: Seismological studies; fault-zone dynamics; periodic recurrence; scaling of microearthquakes to large earthquakes; implications of fault mechanics and seismic hazards; and wave propagation and temporal changes.

  17. Alpha cluster states in light nuclei populated through the (6Li,d) reaction

    International Nuclear Information System (INIS)

    Borello-Lewin, Thereza; Rodrigues, M.R.D.; Horodynski-Matsushigue, L.B.; Duarte, J.L.M.; Rodrigues, C.L.; Souza, M.A.; Cunsolo, A.; Cappuzzello, F.; Ukita, Gilberto Mitsuo

    2011-01-01

    Full text: The alpha cluster correlation is an important concept in the nuclear physics of light nuclei. The main purpose of the research program in progress is the investigation of the alpha clustering phenomenon in (xα) and(xα+ν) nuclei through the ( 6 Li,d) alpha transfer reaction. In fact, there is scarce experimental information on the subject, in particular associated with resonant states predicted near (xα) and (xα+ν) thresholds. Measurements of the 12 , 13 C( 6 Li,d) 16 , 17 O reactions, at an incident energy of 25.5 MeV, have been performed employing the Sao Paulo Pelletron-Enge Split-Pole facility and the nuclear emulsion detection technique. The work is under way and an experimental energy resolution of 30 keV was obtained. Near the (4α) breakup threshold in 16 O, three narrow alpha resonances, not previously measured, were detected, revealing important α + 12 C(G.S.) components. One of these resonances corresponds to the known 0 + state at 15.1 MeV[5] of excitation that has probably, according to Funaki et al., the gas like configuration of the 4α condensate state, with a very dilute density and a large component of α + 12 C(Hoyle) configuration. As was already mentioned, our experimental information points to the necessity of including the α + 12 C(G.S.) component in the wave function. (author)

  18. How atomic nuclei cluster.

    Science.gov (United States)

    Ebran, J-P; Khan, E; Nikšić, T; Vretenar, D

    2012-07-18

    Nucleonic matter displays a quantum-liquid structure, but in some cases finite nuclei behave like molecules composed of clusters of protons and neutrons. Clustering is a recurrent feature in light nuclei, from beryllium to nickel. Cluster structures are typically observed as excited states close to the corresponding decay threshold; the origin of this phenomenon lies in the effective nuclear interaction, but the detailed mechanism of clustering in nuclei has not yet been fully understood. Here we use the theoretical framework of energy-density functionals, encompassing both cluster and quantum liquid-drop aspects of nuclei, to show that conditions for cluster formation can in part be traced back to the depth of the confining nuclear potential. For the illustrative example of neon-20, we show that the depth of the potential determines the energy spacings between single-nucleon orbitals in deformed nuclei, the localization of the corresponding wavefunctions and, therefore, the degree of nucleonic density clustering. Relativistic functionals, in particular, are characterized by deep single-nucleon potentials. When compared to non-relativistic functionals that yield similar ground-state properties (binding energy, deformation, radii), they predict the occurrence of much more pronounced cluster structures. More generally, clustering is considered as a transitional phenomenon between crystalline and quantum-liquid phases of fermionic systems.

  19. Findings in resting-state fMRI by differences from K-means clustering.

    Science.gov (United States)

    Chyzhyk, Darya; Graña, Manuel

    2014-01-01

    Resting state fMRI has growing number of studies with diverse aims, always centered on some kind of functional connectivity biomarker obtained from correlation regarding seed regions, or by analytical decomposition of the signal towards the localization of the spatial distribution of functional connectivity patterns. In general, studies are computationally costly and very sensitive to noise and preprocessing of data. In this paper we consider clustering by K-means as a exploratory procedure which can provide some results with little computational effort, due to efficient implementations that are readily available. We demonstrate the approach on a dataset of schizophrenia patients, finding differences between patients with and without auditory hallucinations.

  20. Excited-state relaxation of Ag8 clusters embedded in helium droplets

    International Nuclear Information System (INIS)

    Radcliffe, Paul; Przystawik, Andreas; Diederich, Thomas; Doeppner, Tilo; Tiggesbaeumker, Josef; Meiwes-Broer, Karl-Heinz

    2004-01-01

    Neutral silver clusters Ag N are grown in ultracold helium nanodroplets. By exploiting a strong absorption resonance recently found for Ag 8 , first photoelectron spectra of this neutral species are recorded. Variation of the laser photon energy reveals that direct vertical two-photon ionization is hindered by rapid relaxation into the lower edge of a long-living excited state manifold. The analysis of the dynamics gives a precise value of (6.89±0.09) eV for the vertical ionization potential of Ag 8 . The influence of the helium matrix on photoemission is discussed

  1. Elastic scattering of alpha particles from 208Pb to determine the properties of the alpha cluster states of 212Po

    International Nuclear Information System (INIS)

    Basu, C.; Adhikari, S.; Mitra, A.K.; Bhattacharya, S.; Bhattacharya, C.; Ghosh, T.K.; Banerjee, K.; Rana, T.K.; Pandey, R.; Prajapati, G.; Dey, A.; Meena, J.K.; Ray, S.

    2011-01-01

    In this work the study of α + 208 Pb elastic scattering have been undertaken to study the alpha spectroscopic properties of the cluster states of 212 Po and also obtain a α + 208 Pb potential to describe both elastic scattering and to predict the alpha cluster states and their properties in 212 Po. This two body cluster core picture is appropriate as both the components are closed shell nuclei. The measurements are performed at higher energy and analyzed in terms of the microscopic folding model for elastic scattering

  2. Characterizing the course of back pain after osteoporotic vertebral fracture: a hierarchical cluster analysis of a prospective cohort study.

    Science.gov (United States)

    Toyoda, Hiromitsu; Takahashi, Shinji; Hoshino, Masatoshi; Takayama, Kazushi; Iseki, Kazumichi; Sasaoka, Ryuichi; Tsujio, Tadao; Yasuda, Hiroyuki; Sasaki, Takeharu; Kanematsu, Fumiaki; Kono, Hiroshi; Nakamura, Hiroaki

    2017-09-23

    This study demonstrated four distinct patterns in the course of back pain after osteoporotic vertebral fracture (OVF). Greater angular instability in the first 6 months after the baseline was one factor affecting back pain after OVF. Understanding the natural course of symptomatic acute OVF is important in deciding the optimal treatment strategy. We used latent class analysis to classify the course of back pain after OVF and identify the risk factors associated with persistent pain. This multicenter cohort study included 218 consecutive patients with ≤ 2-week-old OVFs who were enrolled at 11 institutions. Dynamic x-rays and back pain assessment with a visual analog scale (VAS) were obtained at enrollment and at 1-, 3-, and 6-month follow-ups. The VAS scores were used to characterize patient groups, using hierarchical cluster analysis. VAS for 128 patients was used for hierarchical cluster analysis. Analysis yielded four clusters representing different patterns of back pain progression. Cluster 1 patients (50.8%) had stable, mild pain. Cluster 2 patients (21.1%) started with moderate pain and progressed quickly to very low pain. Patients in cluster 3 (10.9%) had moderate pain that initially improved but worsened after 3 months. Cluster 4 patients (17.2%) had persistent severe pain. Patients in cluster 4 showed significant high baseline pain intensity, higher degree of angular instability, and higher number of previous OVFs, and tended to lack regular exercise. In contrast, patients in cluster 2 had significantly lower baseline VAS and less angular instability. We identified four distinct groups of OVF patients with different patterns of back pain progression. Understanding the course of back pain after OVF may help in its management and contribute to future treatment trials.

  3. Three complexes of Cu(I) cluster with flexible and rigid ligands: Synthesis, characterization and photoluminescent properties

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Shu [College of Chemistry & Materials Science, Northwest University, Taibai Avenue 229, 710069 Xi’an (China); Department of Chemical Engineering, Ordos College of Inner Mongolia University, Inner Mongolia University, Ordos, Inner Mongolia 017000 (China); Liu, Li-Juan; Ma, Wang-Yang; Zhou, Wei-Xia [College of Chemistry & Materials Science, Northwest University, Taibai Avenue 229, 710069 Xi’an (China); Li, Jun, E-mail: junli@nwu.edu.cn [College of Chemistry & Materials Science, Northwest University, Taibai Avenue 229, 710069 Xi’an (China); Zhang, Feng-Xing [College of Chemistry & Materials Science, Northwest University, Taibai Avenue 229, 710069 Xi’an (China)

    2015-05-15

    Three new Cu(I) cluster complexes, viz. [(Cu{sub 4}I{sub 4})(Cu{sub 2}I{sub 2})(dimb){sub 3}]{sub n} (1; dimb=1,4-diimidazol-1-ylbutane), [(Cu{sub 3}I{sub 2})(dimb)(dmtz)]{sub n} (2; dmtz=3,5-dimethyl-1,2,4-triazole), and [Cu{sub 6}(mbt){sub 6}] (3; mbt=2-mercaptobenzothiazole), have been solvothermally synthesized and structurally characterized. In 1, a Cu{sub 4}I{sub 4} cubane core as a 4-connecting node, connects the neighboring nodes either through single dimb or μ{sub 2}-[(Cu{sub 2}I{sub 2})(dimb){sub 2}] linkers, affording an undulated 2D (4,4) net. Parallel interpenetration occurs between the adjacent nets and thus the overall 2D→3D network is formed. Complex 2 is constructed by 2D (4,4) topological plane grid layers of AB stacking. The core, a distorted triangular bipyramidal Cu{sub 3}I{sub 2} cluster, is acted as a 4-connecting node and connected with dimb and μ{sub 3}-dmtz to form the layer. Complex 3 contains a (Cu{sub 6}S{sub 6}) core in discrete paddle-wheel molecule, which serves as a 4-connecting node to link equivalent ones via π···π interaction, forming 2D (4,4) layers. Solid-state luminescence properties and thermogravimetric analyses of 1, 2 and 3 were investigated. - Graphical abstract: Complexes based on Cu(I) clusters possess two-fold 2D→3D parallel interpenetrating (1), triple emissions (2) and near-infrared emission (3). - Highlights: • Complex 1 represents two-fold 2D→3D parallel interpenetrating framework. • Complex 2 shows triple emissions. • Complex 3 displays a quite intense near-infrared (NIR) emission. • These complexes have good thermal stability.

  4. Positive XPS binding energy shift of supported Cu{sub N}-clusters governed by initial state effects

    Energy Technology Data Exchange (ETDEWEB)

    Peters, S.; Peredkov, S. [Technische Universität Berlin, IOAP, Strasse des 17. Juni 135, 10623 Berlin (Germany); Al-Hada, M. [Department of Physics, College of Education and Linguistics, University of Amran (Yemen); Neeb, M., E-mail: matthias.neeb@helmholtz-berlin.de [Helmholtz-Zentrum Berlin, Wilhelm-Conrad-Röntgen-Campus Adlershof, Elektronenspeicherring BESSY II, Albert-Einstein-Straße 15, 12489 Berlin (Germany); Eberhardt, W. [Technische Universität Berlin, IOAP, Strasse des 17. Juni 135, 10623 Berlin (Germany); DESY, Center for Free Electron Laser Science (CFEL), Notkestr. 85, 22607 Hamburg (Germany)

    2014-01-01

    Highlights: • Size dependent initial and final state effects of mass-selected deposited clusters. • Initial state effect dominates positive XPS shift in supported Cu-clusters. • Size dependent Coulomb correlation shift in the Auger final state of Cu cluster. • Size-dependent Auger parameter analysis. • Positive XPS shift differs from negative surface core level shift in crystalline copper. - Abstract: An initial state effect is established as origin for the positive 2p core electron binding energy shift found for Cu{sub N}-clusters supported by a thin silica layer of a p-doped Si(1 0 0) wafer. Using the concept of the Auger parameter and taking into account the usually neglected Coulomb correlation shift in the Auger final state (M{sub 4,5}M{sub 4,5}) it is shown that the initial state shift is comparable to the measured XPS shift while the final state relaxation shift contributes only marginally to the binding energy shift. The cluster results differ from the negative surface core-level shift of crystalline copper which has been explained in terms of a final state relaxation effect.

  5. Characterization of the biosynthetic gene cluster of rebeccamycin from Lechevalieria aerocolonigenes ATCC 39243.

    Science.gov (United States)

    Onaka, Hiroyasu; Taniguchi, Shin-ichi; Igarashi, Yasuhiro; Furumai, Tamotsu

    2003-01-01

    The biosynthetic gene cluster for rebeccamycin, an indolocarbazole antibiotic, from Lechevalieria aerocolonigenes ATCC 39243 has 11 ORFs. To clarify their functions, mutants with rebG, rebD, rebC, rebP, rebM, rebR, rebH, rebT, or orfD2 disrupted were constructed, and the gene products were examined. rebP disruptants produced 11,11'-dichlorochromopyrrolic acid, found to be a biosynthetic intermediate by a bioconversion experiment. Other genes encoded N-glycosyltransferase (rebG), monooxygenase (rebC), methyltransferase (rebM), a transcriptional activator (rebR), and halogenase (rebH). rebT disruptants produced rebeccamycin as much as the wild strain, so rebT was probably not involved in rebeccamycin production. Biosynthetic genes of staurosporine, an another indolocarbazole antibiotic, were cloned from Streptomyces sp. TP-A0274. staO, staD, and staP were similar to rebO, rebD, and rebP, respectively, all of which are responsible for indolocarbazole biosynthesis, But a rebC homolog, encoding a putative enzyme oxidizing the C-7 site of pyrrole rings, was not found in the staurosporine biosynthetic gene cluster. These results suggest that indolocarbazole is constructed by oxidative decarboxylation of chromopyrrolic acid (11,11'-dichlorochromopyrrolic acid in rebeccamycin) generated from two molecules of tryptophan by coupling and that the oxidation state at the C-7 position depends on the additional enzyme(s) encoded by the biosynthetic genes.

  6. PLGA and PHBV Microsphere Formulations and Solid-State Characterization

    DEFF Research Database (Denmark)

    Yang, Chiming; Plackett, David; Needham, David

    2009-01-01

    To develop and characterize the solid-state properties of poly(DL-lactic-co-glycolic acid) (PLGA) and poly(3-hydroxybutyric acid-co-3-hydroxyvaleric acid) (PHBV) microspheres for the localized and controlled release of fusidic acid (FA). The effects of FA loading and polymer composition on the mean...... diameter, encapsulation efficiency and FA released from the microspheres were determined. The solid-state and phase separation properties of the microspheres were characterized using DSC, XRPD, Raman spectroscopy, SEM, laser confocal and real time recording of single microspheres formation. Above a loading...

  7. Earthquake Clustering on Normal Faults: Insight from Rate-and-State Friction Models

    Science.gov (United States)

    Biemiller, J.; Lavier, L. L.; Wallace, L.

    2016-12-01

    Temporal variations in slip rate on normal faults have been recognized in Hawaii and the Basin and Range. The recurrence intervals of these slip transients range from 2 years on the flanks of Kilauea, Hawaii to 10 kyr timescale earthquake clustering on the Wasatch Fault in the eastern Basin and Range. In addition to these longer recurrence transients in the Basin and Range, recent GPS results there also suggest elevated deformation rate events with recurrence intervals of 2-4 years. These observations suggest that some active normal fault systems are dominated by slip behaviors that fall between the end-members of steady aseismic creep and periodic, purely elastic, seismic-cycle deformation. Recent studies propose that 200 year to 50 kyr timescale supercycles may control the magnitude, timing, and frequency of seismic-cycle earthquakes in subduction zones, where aseismic slip transients are known to play an important role in total deformation. Seismic cycle deformation of normal faults may be similarly influenced by its timing within long-period supercycles. We present numerical models (based on rate-and-state friction) of normal faults such as the Wasatch Fault showing that realistic rate-and-state parameter distributions along an extensional fault zone can give rise to earthquake clusters separated by 500 yr - 5 kyr periods of aseismic slip transients on some portions of the fault. The recurrence intervals of events within each earthquake cluster range from 200 to 400 years. Our results support the importance of stress and strain history as controls on a normal fault's present and future slip behavior and on the characteristics of its current seismic cycle. These models suggest that long- to medium-term fault slip history may influence the temporal distribution, recurrence interval, and earthquake magnitudes for a given normal fault segment.

  8. Gas cluster ion beam for the characterization of organic materials in submarine basalts as Mars analogs

    Energy Technology Data Exchange (ETDEWEB)

    Sano, Naoko, E-mail: naoko.sano@ncl.ac.uk; Barlow, Anders J.; Cumpson, Peter J. [National EPSRC XPS Users' Service (NEXUS), School of Mechanical and Systems Engineering, Stephenson Building, Newcastle University, Newcastle-upon-Tyne NE1 7RU (United Kingdom); Purvis, Graham W. H.; Abbott, Geoffrey D.; Gray, Neil N. D. [School of Civil Engineering and Geosciences, Devonshire Building, Newcastle University, Newcastle-upon-Tyne NE1 7RU (United Kingdom)

    2016-07-15

    The solar system contains large quantities of organic compounds that can form complex molecular structures. The processing of organic compounds by biological systems leads to molecules with distinctive structural characteristics; thus, the detection and characterization of organic materials could lead to a high degree of confidence in the existence of extra-terrestrial life. Given the nature of the surface of most planetary bodies in the solar system, evidence of life is more likely to be found in the subsurface where conditions are more hospitable. Basalt is a common rock throughout the solar system and the primary rock type on Mars and Earth. Basalt is therefore a rock type that subsurface life might exploit and as such a suitable material for the study of methods required to detect and analyze organic material in rock. Telluric basalts from Earth represent an analog for extra-terrestrial rocks where the indigenous organic matter could be analyzed for molecular biosignatures. This study focuses on organic matter in the basalt with the use of surface analysis techniques utilizing Ar gas cluster ion beams (GCIB); time of flight secondary ion mass spectrometry (ToF-SIMS), and x-ray photoelectron spectroscopy (XPS), to characterize organic molecules. Tetramethylammonium hydroxide (TMAH) thermochemolysis was also used to support the data obtained using the surface analysis techniques. The authors demonstrate that organic molecules were found to be heterogeneously distributed within rock textures. A positive correlation was observed to exist between the presence of microtubule textures in the basalt and the organic compounds detected. From the results herein, the authors propose that ToF-SIMS with an Ar GCIB is effective at detecting organic materials in such geological samples, and ToF-SIMS combined with XPS and TMAH thermochemolysis may be a useful approach in the study of extra-terrestrial organic material and life.

  9. Gas cluster ion beam for the characterization of organic materials in submarine basalts as Mars analogs

    International Nuclear Information System (INIS)

    Sano, Naoko; Barlow, Anders J.; Cumpson, Peter J.; Purvis, Graham W. H.; Abbott, Geoffrey D.; Gray, Neil N. D.

    2016-01-01

    The solar system contains large quantities of organic compounds that can form complex molecular structures. The processing of organic compounds by biological systems leads to molecules with distinctive structural characteristics; thus, the detection and characterization of organic materials could lead to a high degree of confidence in the existence of extra-terrestrial life. Given the nature of the surface of most planetary bodies in the solar system, evidence of life is more likely to be found in the subsurface where conditions are more hospitable. Basalt is a common rock throughout the solar system and the primary rock type on Mars and Earth. Basalt is therefore a rock type that subsurface life might exploit and as such a suitable material for the study of methods required to detect and analyze organic material in rock. Telluric basalts from Earth represent an analog for extra-terrestrial rocks where the indigenous organic matter could be analyzed for molecular biosignatures. This study focuses on organic matter in the basalt with the use of surface analysis techniques utilizing Ar gas cluster ion beams (GCIB); time of flight secondary ion mass spectrometry (ToF-SIMS), and x-ray photoelectron spectroscopy (XPS), to characterize organic molecules. Tetramethylammonium hydroxide (TMAH) thermochemolysis was also used to support the data obtained using the surface analysis techniques. The authors demonstrate that organic molecules were found to be heterogeneously distributed within rock textures. A positive correlation was observed to exist between the presence of microtubule textures in the basalt and the organic compounds detected. From the results herein, the authors propose that ToF-SIMS with an Ar GCIB is effective at detecting organic materials in such geological samples, and ToF-SIMS combined with XPS and TMAH thermochemolysis may be a useful approach in the study of extra-terrestrial organic material and life.

  10. Characterization of chloramphenicol palmitate drug polymorphs by Raman mapping with multivariate image segmentation using a spatial directed agglomeration clustering method.

    Science.gov (United States)

    Lin, Wei-Qi; Jiang, Jian-Hui; Yang, Hai-Feng; Ozaki, Yukihiro; Shen, Guo-Li; Yu, Ru-Qin

    2006-09-01

    Chemical imaging analysis holds great potential in probing the chemical heterogeneity of samples with high spatial resolution and molecular specificity. This paper demonstrates the implementation of Raman mapping for microscopic characterization of tablets containing chloramphenicol palmitate polymorphs with the aid of a new multivariate image segmentation approach based on spatial directed agglomeration clustering. This approach performs the agglomeration clustering by stepwise merging the pixels possessing both spatial closeness and spectral similarity into clusters that define the image segmentation. The incorporation of spatial closeness into the clustering process enables the approach to improve the robustness and avoid poorly defined image segmentation arising from clusters with highly separated pixels. Additionally, the stepwise merging of clusters offers an F-statistic-based procedure to automatically ascertain the number of image segments. Raman mapping analysis of tablets containing two polymorphs of chloramphenicol palmitate followed by multivariate image segmentation reveals that the proposed technique offers the identification of each polymorph and a quantitative visualization of the spatial distribution of the polymorphs identified. This technique holds promise in rapid, noninvasive, and quantitative polymorph analysis for pharmaceutical production processes.

  11. An efficient laser vaporization source for chemically modified metal clusters characterized by thermodynamics and kinetics

    Science.gov (United States)

    Masubuchi, Tsugunosuke; Eckhard, Jan F.; Lange, Kathrin; Visser, Bradley; Tschurl, Martin; Heiz, Ulrich

    2018-02-01

    A laser vaporization cluster source that has a room for cluster aggregation and a reactor volume, each equipped with a pulsed valve, is presented for the efficient gas-phase production of chemically modified metal clusters. The performance of the cluster source is evaluated through the production of Ta and Ta oxide cluster cations, TaxOy+ (y ≥ 0). It is demonstrated that the cluster source produces TaxOy+ over a wide mass range, the metal-to-oxygen ratio of which can easily be controlled by changing the pulse duration that influences the amount of reactant O2 introduced into the cluster source. Reaction kinetic modeling shows that the generation of the oxides takes place under thermalized conditions at less than 300 K, whereas metal cluster cores are presumably created with excess heat. These characteristics are also advantageous to yield "reaction intermediates" of interest via reactions between clusters and reactive molecules in the cluster source, which may subsequently be mass selected for their reactivity measurements.

  12. Electronic Structure and Oxidation State Changes in the Mn (4) Ca Cluster of Photosystem II

    Energy Technology Data Exchange (ETDEWEB)

    Yano, J.; Pushkar, Y.; Messinger, J.; Bergmann, U.; Glatzel, P.; Yachandra, V.K.; /SLAC

    2012-08-17

    Oxygen-evolving complex (Mn{sub 4}Ca cluster) of Photosystem II cycles through five intermediate states (S{sub i}-states, i = 0-4) before a molecule of dioxygen is released. During the S-state transitions, electrons are extracted from the OEC, either from Mn or alternatively from a Mn ligand. The oxidation state of Mn is widely accepted as Mn{sub 4}(III{sub 2},IV{sub 2}) and Mn{sub 4}(III,IV{sub 3}) for S{sub 1} and S{sub 2} states, while it is still controversial for the S{sub 0} and S{sub 3} states. We used resonant inelastic X-ray scattering (RIXS) to study the electronic structure of Mn{sub 4}Ca complex in the OEC. The RIXS data yield two-dimensional plots that provide a significant advantage by obtaining both K-edge pre-edge and L-edge-like spectra (metal spin state) simultaneously. We have collected data from PSII samples in the each of the S-states and compared them with data from various inorganic Mn complexes. The spectral changes in the Mn 1s2p{sub 3/2} RIXS spectra between the S-states were compared to those of the oxides of Mn and coordination complexes. The results indicate strong covalency for the electronic configuration in the OEC, and we conclude that the electron is transferred from a strongly delocalized orbital, compared to those in Mn oxides or coordination complexes. The magnitude for the S{sub 0} to S{sub 1}, and S{sub 1} to S{sub 2} transitions is twice as large as that during the S{sub 2} to S{sub 3} transition, indicating that the electron for this transition is extracted from a highly delocalized orbital with little change in charge density at the Mn atoms.

  13. The shape of velocity dispersion profiles and the dynamical state of galaxy clusters

    Science.gov (United States)

    Costa, A. P.; Ribeiro, A. L. B.; de Carvalho, R. R.

    2018-01-01

    Motivated by the existence of the relationship between the dynamical state of clusters and the shape of the velocity dispersion profiles (VDPs), we study the VDPs for Gaussian (G) and non-Gaussian (NG) systems for a subsample of clusters from the Yang catalogue. The groups cover a redshift interval of 0.03 ≤ z ≤ 0.1 with halo mass ≥1014 M⊙. We use a robust statistical method, Hellinger Distance, to classify the dynamical state of the systems according to their velocity distribution. The stacked VDP of each class, G and NG, is then determined using either Bright or Faint galaxies. The stacked VDP for G groups displays a central peak followed by a monotonically decreasing trend which indicates a predominance of radial orbits, with the Bright stacked VDP showing lower velocity dispersions in all radii. The distinct features we find in NG systems are manifested not only by the characteristic shape of VDP, with a depression in the central region, but also by a possible higher infall rate associated with galaxies in the Faint stacked VDP.

  14. Hyperspectral clustering and unmixing for studying the ecology of state formation and complex societies

    Science.gov (United States)

    Kwong, Justin D.; Messinger, David W.; Middleton, William D.

    2009-08-01

    This project is an application of hyperspectral classification and unmixing in support of an ongoing archaeological study. The study region is the Oaxaca Valley located in the state of Oaxaca, Mexico on the southern coast. This was the birthplace of the Zapotec civilization which grew into a complex state level society. Hyperion imagery is being collected over a 30,000 km2 area. Classification maps of regions of interest are generated using K-means clustering and a novel algorithm called Gradient Flow. Gradient Flow departs from conventional stochastic or deterministic approaches, using graph theory to cluster spectral data. Spectral unmixing is conducted using the RIT developed algorithm Max-D to automatically find end members. Stepwise unmixing is performed to better model the data using the end members found be Max-D. Data are efficiently shared between imaging scientists and archaeologists using Google Earth to stream images over the internet rather than downloading them. The overall goal of the project is to provide archaeologists with useful information maps without having to interpret the raw data.

  15. The effects of self-interstitial clusters on cascade defect evolution beyond the primary damage state

    International Nuclear Information System (INIS)

    Heinisch, H.L.

    1997-01-01

    The intracascade evolution of the defect distributions of cascades in copper is investigated using stochastic annealing simulations applied to cascades generated with molecular dynamics (MD). The temperature and energy dependencies of annihilation, clustering and free defect production are determined for individual cascades. The annealing simulation results illustrate the strong influence on intracascade evolution of the defect configuration existing in the primary damage state. Another factor significantly affecting the evolution of the defect distribution is the rapid one-dimensional diffusion of small, glissile interstitial loops produced directly in cascades. This phenomenon introduces a cascade energy dependence of defect evolution that is apparent only beyond the primary damage state, amplifying the need for further study of the annealing phase of cascade evolution and for performing many more MD cascade simulations at higher energies

  16. Recursive cluster elimination based support vector machine for disease state prediction using resting state functional and effective brain connectivity.

    Directory of Open Access Journals (Sweden)

    Gopikrishna Deshpande

    2010-12-01

    Full Text Available Brain state classification has been accomplished using features such as voxel intensities, derived from functional magnetic resonance imaging (fMRI data, as inputs to efficient classifiers such as support vector machines (SVM and is based on the spatial localization model of brain function. With the advent of the connectionist model of brain function, features from brain networks may provide increased discriminatory power for brain state classification.In this study, we introduce a novel framework where in both functional connectivity (FC based on instantaneous temporal correlation and effective connectivity (EC based on causal influence in brain networks are used as features in an SVM classifier. In order to derive those features, we adopt a novel approach recently introduced by us called correlation-purged Granger causality (CPGC in order to obtain both FC and EC from fMRI data simultaneously without the instantaneous correlation contaminating Granger causality. In addition, statistical learning is accelerated and performance accuracy is enhanced by combining recursive cluster elimination (RCE algorithm with the SVM classifier. We demonstrate the efficacy of the CPGC-based RCE-SVM approach using a specific instance of brain state classification exemplified by disease state prediction. Accordingly, we show that this approach is capable of predicting with 90.3% accuracy whether any given human subject was prenatally exposed to cocaine or not, even when no significant behavioral differences were found between exposed and healthy subjects.The framework adopted in this work is quite general in nature with prenatal cocaine exposure being only an illustrative example of the power of this approach. In any brain state classification approach using neuroimaging data, including the directional connectivity information may prove to be a performance enhancer. When brain state classification is used for disease state prediction, our approach may aid the

  17. Molecular identification and characterization of clustered regularly interspaced short palindromic repeat (CRISPR) gene cluster in Taylorella equigenitalis.

    Science.gov (United States)

    Hara, Yasushi; Hayashi, Kyohei; Nakajima, Takuya; Kagawa, Shizuko; Tazumi, Akihiro; Moore, John E; Matsuda, Motoo

    2013-09-01

    Clustered regularly interspaced short palindromic repeats (CRISPRs), of approximately 10,000 base pairs (bp) in length, were shown to occur in the Japanese Taylorella equigenitalis strain, EQ59. The locus was composed of the putative CRISPRs-associated with 5 (cas5), RAMP csd1, csd2, recB, cas1, a leader region, 13 CRISPR consensus sequence repeats (each 32 bp; 5'-TCAGCCACGTTCGCGTGGCTGTGTGTTTAAAG-3'). These were in turn separated by 12 non repetitive unique spacer regions of similar length. In addition, a leader region, a transposase/IS protein, a leader region, and cas3 were also seen. All seven putative open reading frames carry their ribosome binding sites. Promoter consensus sequences at the -35 and -10 regions and putative intrinsic ρ-independent transcription terminator regions also occurred. A possible long overlap of 170 bp in length occurred between the recB and cas1 loci. Positive reverse transcription PCR signals of cas5, RAMP csd1, csd2-recB/cas1, and cas3 were generated. A putative secondary structure of the CRISPR consensus repeats was constructed. Following this, CRISPR results of the T. equigenitalis EQ59 isolate were subsequently compared with those from the Taylorella asinigenitalis MCE3 isolate.

  18. Characterization of Omega-WINGS galaxy clusters. I. Stellar light and mass profiles

    Science.gov (United States)

    Cariddi, S.; D'Onofrio, M.; Fasano, G.; Poggianti, B. M.; Moretti, A.; Gullieuszik, M.; Bettoni, D.; Sciarratta, M.

    2018-02-01

    Context. Galaxy clusters are the largest virialized structures in the observable Universe. Knowledge of their properties provides many useful astrophysical and cosmological information. Aims: Our aim is to derive the luminosity and stellar mass profiles of the nearby galaxy clusters of the Omega-WINGS survey and to study the main scaling relations valid for such systems. Methods: We merged data from the WINGS and Omega-WINGS databases, sorted the sources according to the distance from the brightest cluster galaxy (BCG), and calculated the integrated luminosity profiles in the B and V bands, taking into account extinction, photometric and spatial completeness, K correction, and background contribution. Then, by exploiting the spectroscopic sample we derived the stellar mass profiles of the clusters. Results: We obtained the luminosity profiles of 46 galaxy clusters, reaching r200 in 30 cases, and the stellar mass profiles of 42 of our objects. We successfully fitted all the integrated luminosity growth profiles with one or two embedded Sérsic components, deriving the main clusters parameters. Finally, we checked the main scaling relation among the clusters parameters in comparison with those obtained for a selected sample of early-type galaxies (ETGs) of the same clusters. Conclusions: We found that the nearby galaxy clusters are non-homologous structures such as ETGs and exhibit a color-magnitude (CM) red-sequence relation very similar to that observed for galaxies in clusters. These properties are not expected in the current cluster formation scenarios. In particular the existence of a CM relation for clusters, shown here for the first time, suggests that the baryonic structures grow and evolve in a similar way at all scales.

  19. Solid State NMR Characterization and Adsorption Properties of ...

    African Journals Online (AJOL)

    ... agents and clinoptilolite at 140 °C inDMFunder nitrogen atmosphere. The light in weight and fluffy composites obtained were characterized by FT-IR, XRD, TGA, SEM and Solid State NMR. Results depicted possible chemical interactions between the two materials (lignocellulose and clinoptilolite). Used as adsorbents, the ...

  20. Characterization and analysis of medical solid waste in Osun State ...

    African Journals Online (AJOL)

    This paper reports the study of quantum and characterization of medica solid wastes generated by healthcare facilities in Osun State. The work involved administration of a questionnaire and detailed studies conducted on facilities selected on the basis of a combination of purposive and random sampling methods.

  1. Optical techniques for solid-state materials characterization

    CERN Document Server

    Prasankumar, Rohit P

    2016-01-01

    This book has comprehensively covered the essential optical approaches needed for solid-state materials characterization. Written by experts in the field, this will be a great reference for students, engineers, and scientists.-Professor Yoke Khin Yap, Michigan Technical University.

  2. Characterization of Ibere and Oboro clay deposits in Abia state ...

    African Journals Online (AJOL)

    Ibere and Oboro clay deposits in Ikwuano, Abia State of Nigeria were characterized for refractory and other applications. The characteristics investigated were mineralogical composition, chemical composition, plasticity, linear shrinkage, apparent porosity, bulk density, cold crushing strength, thermal shock resistance, ...

  3. Preparation and characterization of solid-state sintered aluminum ...

    Indian Academy of Sciences (India)

    Preparation and characterization of solid-state sintered aluminum-doped zinc oxide with different alumina contents. YU-HSIEN CHOU. ∗. , J L H CHAU, W L WANG, C S CHEN, S H WANG and C C YANG. Nanopowder and Thin Film Technology Centre, ITRI–South, Industrial Technology Research Institute, Tainan 70955,.

  4. High power solid state retrofit lamp thermal characterization and modeling

    NARCIS (Netherlands)

    Jakovenko, J.; Formánek, J.; Vladimír, J.; Husák, M.; Werkhoven, R.J.

    2012-01-01

    Thermal and thermo-mechanical modeling and characterization of solid state lightening (SSL) retrofit LED Lamp are presented in this paper. Paramount Importance is to design SSL lamps for reliability, in which thermal and thermo-mechanical aspects are key points. The main goal is to get a precise 3D

  5. Alpha cluster states in light nuclei populated through the (6Li,d) reaction

    Energy Technology Data Exchange (ETDEWEB)

    Borello-Lewin, Thereza; Rodrigues, M.R.D.; Horodynski-Matsushigue, L.B.; Duarte, J.L.M.; Rodrigues, C.L.; Souza, M.A. [Universidade de Sao Paulo (IF/USP), SP (Brazil). Inst. de Fisica; Cunsolo, A.; Cappuzzello, F. [Universita di Catania (Italy). Istituto Nazionale di Fisica Nucleare. Lab. Nazionali del Sud; Ukita, Gilberto Mitsuo [Universidade de Santo Amaro (UNISA), Sao Paulo, SP (Brazil). Fac. de Psicologia

    2011-07-01

    Full text: The alpha cluster correlation is an important concept in the nuclear physics of light nuclei. The main purpose of the research program in progress is the investigation of the alpha clustering phenomenon in (x{alpha}) and(x{alpha}+{nu}) nuclei through the ({sup 6}Li,d) alpha transfer reaction. In fact, there is scarce experimental information on the subject, in particular associated with resonant states predicted near (x{alpha}) and (x{alpha}+{nu}) thresholds. Measurements of the {sup 12},{sup 13}C({sup 6}Li,d) {sup 16},{sup 17}O reactions, at an incident energy of 25.5 MeV, have been performed employing the Sao Paulo Pelletron-Enge Split-Pole facility and the nuclear emulsion detection technique. The work is under way and an experimental energy resolution of 30 keV was obtained. Near the (4{alpha}) breakup threshold in {sup 16}O, three narrow alpha resonances, not previously measured, were detected, revealing important {alpha} + {sup 12}C(G.S.) components. One of these resonances corresponds to the known 0{sup +} state at 15.1 MeV[5] of excitation that has probably, according to Funaki et al., the gas like configuration of the 4{alpha} condensate state, with a very dilute density and a large component of {alpha} + {sup 12}C(Hoyle) configuration. As was already mentioned, our experimental information points to the necessity of including the {alpha} + {sup 12}C(G.S.) component in the wave function. (author)

  6. Characterization of the fumonisin B2 biosynthetic gene cluster in Aspergillus niger and A. awamori.

    Science.gov (United States)

    Aspergillus niger and A. awamori strains isolated from grapes cultivated in Mediterranean basin were examined for fumonisin B2 (FB2) production and presence/absence of sequences within the fumonisin biosynthetic gene (fum) cluster. Presence of 13 regions in the fum cluster was evaluated by PCR assay...

  7. Dynamical transitions in large systems of mean field-coupled Landau-Stuart oscillators: Extensive chaos and cluster states

    Energy Technology Data Exchange (ETDEWEB)

    Ku, Wai Lim; Girvan, Michelle; Ott, Edward [Institute for Research in Electronics and Applied Physics, University of Maryland, College Park, Maryland 20742 (United States)

    2015-12-15

    In this paper, we study dynamical systems in which a large number N of identical Landau-Stuart oscillators are globally coupled via a mean-field. Previously, it has been observed that this type of system can exhibit a variety of different dynamical behaviors. These behaviors include time periodic cluster states in which each oscillator is in one of a small number of groups for which all oscillators in each group have the same state which is different from group to group, as well as a behavior in which all oscillators have different states and the macroscopic dynamics of the mean field is chaotic. We argue that this second type of behavior is “extensive” in the sense that the chaotic attractor in the full phase space of the system has a fractal dimension that scales linearly with N and that the number of positive Lyapunov exponents of the attractor also scales linearly with N. An important focus of this paper is the transition between cluster states and extensive chaos as the system is subjected to slow adiabatic parameter change. We observe discontinuous transitions between the cluster states (which correspond to low dimensional dynamics) and the extensively chaotic states. Furthermore, examining the cluster state, as the system approaches the discontinuous transition to extensive chaos, we find that the oscillator population distribution between the clusters continually evolves so that the cluster state is always marginally stable. This behavior is used to reveal the mechanism of the discontinuous transition. We also apply the Kaplan-Yorke formula to study the fractal structure of the extensively chaotic attractors.

  8. Study of the Ground-State Geometry of Silicon Clusters Using Artificial Neural Networks

    Directory of Open Access Journals (Sweden)

    M.R. Lemes

    2002-09-01

    Full Text Available Theoretical determination of the ground-state geometry of Si clusters is a difficult task. As the number of local minima grows exponentially with the number of atoms, to find the global minimum is a real challenge. One may start the search procedure from a random distribution of atoms but it is probably wiser to make use of any available information to restrict the search space. Here, we introduce a new approach, the Assisted Genetic Optimization (AGO that couples an Artificial Neural Network (ANN to a Genetic Algorithm (GA. Using available information on small Silicon clusters, we trained an ANN to predict good starting points (initial population for the GA. AGO is applied to Si10 and Si20 and compared to pure GA. Our results indicate: i AGO is, at least, 5 times faster than pure GA in our test case; ii ANN training can be made very fast and successfully plays the role of an experienced investigator; iii AGO can easily be adapted to other optimization problems.

  9. Characterization of protein unfolding with solid-state nanopores.

    Science.gov (United States)

    Li, Jiali; Fologea, Daniel; Rollings, Ryan; Ledden, Brad

    2014-03-01

    In this work, we review the process of protein unfolding characterized by a solid-state nanopore based device. The occupied or excluded volume of a protein molecule in a nanopore depends on the protein's conformation or shape. A folded protein has a larger excluded volume in a nanopore thus it blocks more ionic current flow than its unfolded form and produces a greater current blockage amplitude. The time duration a protein stays in a pore also depends on the protein's folding state. We use Bovine Serum Albumin (BSA) as a model protein to discuss this current blockage amplitude and the time duration associated with the protein unfolding process. BSA molecules were measured in folded, partially unfolded, and completely unfolded conformations in solid-state nanopores. We discuss experimental results, data analysis, and theoretical considerations of BSA protein unfolding measured with silicon nitride nanopores. We show this nanopore method is capable of characterizing a protein's unfolding process at single molecule level. Problems and future studies in characterization of protein unfolding using a solid-state nanopore device will also be discussed.

  10. Structural characterization of small Xe clusters using their 5s correlation satellite electron spectrum.

    Science.gov (United States)

    Patanen, Minna; Nicolas, Christophe; Liu, Xiao-Jing; Travnikova, Oksana; Miron, Catalin

    2013-07-07

    The Xe 5s photoelectron spectrum and 5p(4)nl correlation satellites have been studied in small Xe clusters of an average size of about 15 atoms. The satellite structures are interpreted with the help of the atomic Xe lines. Transition energy shifts between the atomic and the corner/edge/face/bulk components in clusters are divided into polarization screening and exchange interaction energy. Interestingly enough, the ratios between corner/edge/face/bulk polarization screening and exchange interaction energies are found to reflect the ratios of the coordination numbers of corner/edge/face/bulk atoms in these small icosahedral cluster structures.

  11. Overview of Silica-Related Clusters in the United States: Will Fracking Operations Become the Next Cluster?

    Science.gov (United States)

    Quail, M Thomas

    2017-01-01

    Silicosis is the oldest know occupational pulmonary disease. It is a progressive disease and any level of exposure to respirable crystalline silica particles or dust has the potential to develop into silicosis. Silicosis is caused by silica particles or dust entering the lungs and damaging healthy lung tissue. The damage restricts the ability to breathe. Exposure to silica increases a worker’s risk of developing cancer or tuberculosis. This special report will provide background history of silicosis in the U.S., including the number of workers affected and their common industries. Over the years, these industries have impeded government oversight, resulting in silicosis exposure clusters. The risk of acquiring silicosis is diminished when industry implements safety measures with oversight by governmental agencies. Reputable authorities believe that the current innovative drilling techniques such as fracking will generate future cases of silicosis in the U.S. if safety measures to protect workers are ignored.

  12. Characterizing symmetries in a projected entangled pair state

    Energy Technology Data Exchange (ETDEWEB)

    Perez-Garcia, D; Gonzalez-Guillen, C E [Departamento Analisis Matematico and IMI, Universidad Complutense de Madrid, 28040 Madrid (Spain); Sanz, M; Cirac, J I [Max-Planck-Institut fuer Quantenoptik, Hans-Kopfermann-Str. 1, 85748 Garching (Germany); Wolf, M M [Niels Bohr Institute, Blegdamsvej 17, 2100 Copenhagen (Denmark)], E-mail: dperez@mat.ucm.es

    2010-02-15

    We show that two different tensors defining the same translational invariant injective projected entangled pair state (PEPS) in a square lattice must be the same up to a trivial gauge freedom. This allows us to characterize the existence of any local or spatial symmetry in the state. As an application of these results we prove that a SU(2) invariant PEPS with half-integer spin cannot be injective, which can be seen as a Lieb-Shultz-Mattis theorem in this context. We also give the natural generalization for U(1) symmetry in the spirit of Oshikawa-Yamanaka-Affleck, and show that a PEPS with Wilson loops cannot be injective.

  13. Cluster structure in the correlation coefficient matrix can be characterized by abnormal eigenvalues

    Science.gov (United States)

    Nie, Chun-Xiao

    2018-02-01

    In a large number of previous studies, the researchers found that some of the eigenvalues of the financial correlation matrix were greater than the predicted values of the random matrix theory (RMT). Here, we call these eigenvalues as abnormal eigenvalues. In order to reveal the hidden meaning of these abnormal eigenvalues, we study the toy model with cluster structure and find that these eigenvalues are related to the cluster structure of the correlation coefficient matrix. In this paper, model-based experiments show that in most cases, the number of abnormal eigenvalues of the correlation matrix is equal to the number of clusters. In addition, empirical studies show that the sum of the abnormal eigenvalues is related to the clarity of the cluster structure and is negatively correlated with the correlation dimension.

  14. Structural and functional characterization of three polyketide synthase gene clusters in Bacillus amyloliquefaciens FZB 42.

    Science.gov (United States)

    Chen, Xiao-Hua; Vater, Joachim; Piel, Jörn; Franke, Peter; Scholz, Romy; Schneider, Kathrin; Koumoutsi, Alexandra; Hitzeroth, Gabriele; Grammel, Nicolas; Strittmatter, Axel W; Gottschalk, Gerhard; Süssmuth, Roderich D; Borriss, Rainer

    2006-06-01

    Although bacterial polyketides are of considerable biomedical interest, the molecular biology of polyketide biosynthesis in Bacillus spp., one of the richest bacterial sources of bioactive natural products, remains largely unexplored. Here we assign for the first time complete polyketide synthase (PKS) gene clusters to Bacillus antibiotics. Three giant modular PKS systems of the trans-acyltransferase type were identified in Bacillus amyloliquefaciens FZB 42. One of them, pks1, is an ortholog of the pksX operon with a previously unknown function in the sequenced model strain Bacillus subtilis 168, while the pks2 and pks3 clusters are novel gene clusters. Cassette mutagenesis combined with advanced mass spectrometric techniques such as matrix-assisted laser desorption ionization-time of flight mass spectrometry and liquid chromatography-electrospray ionization mass spectrometry revealed that the pks1 (bae) and pks3 (dif) gene clusters encode the biosynthesis of the polyene antibiotics bacillaene and difficidin or oxydifficidin, respectively. In addition, B. subtilis OKB105 (pheA sfp(0)), a transformant of the B. subtilis 168 derivative JH642, was shown to produce bacillaene, demonstrating that the pksX gene cluster directs the synthesis of that polyketide. The GenBank accession numbers for gene clusters pks1(bae), pks2, and pks3(dif) are AJ 634060.2, AJ 6340601.2, and AJ 6340602.2, respectively.

  15. Photoelectron angular distributions for states of any mixed character: an experiment-friendly model for atomic, molecular, and cluster anions.

    Science.gov (United States)

    Khuseynov, Dmitry; Blackstone, Christopher C; Culberson, Lori M; Sanov, Andrei

    2014-09-28

    We present a model for laboratory-frame photoelectron angular distributions in direct photodetachment from (in principle) any molecular orbital using linearly polarized light. A transparent mathematical approach is used to generalize the Cooper-Zare central-potential model to anionic states of any mixed character. In the limit of atomic-anion photodetachment, the model reproduces the Cooper-Zare formula. In the case of an initial orbital described as a superposition of s and p-type functions, the model yields the previously obtained s-p mixing formula. The formalism is further advanced using the Hanstorp approximation, whereas the relative scaling of the partial-wave cross-sections is assumed to follow the Wigner threshold law. The resulting model describes the energy dependence of photoelectron anisotropy for any atomic, molecular, or cluster anions, usually without requiring a direct calculation of the transition dipole matrix elements. As a benchmark case, we apply the p-d variant of the model to the experimental results for NO(-) photodetachment and show that the observed anisotropy trend is described well using physically meaningful values of the model parameters. Overall, the presented formalism delivers insight into the photodetachment process and affords a new quantitative strategy for analyzing the photoelectron angular distributions and characterizing mixed-character molecular orbitals using photoelectron imaging spectroscopy of negative ions.

  16. Characterization and detection of a widely distributed gene cluster that predicts anaerobic choline utilization by human gut bacteria.

    Science.gov (United States)

    Martínez-del Campo, Ana; Bodea, Smaranda; Hamer, Hilary A; Marks, Jonathan A; Haiser, Henry J; Turnbaugh, Peter J; Balskus, Emily P

    2015-04-14

    Elucidation of the molecular mechanisms underlying the human gut microbiota's effects on health and disease has been complicated by difficulties in linking metabolic functions associated with the gut community as a whole to individual microorganisms and activities. Anaerobic microbial choline metabolism, a disease-associated metabolic pathway, exemplifies this challenge, as the specific human gut microorganisms responsible for this transformation have not yet been clearly identified. In this study, we established the link between a bacterial gene cluster, the choline utilization (cut) cluster, and anaerobic choline metabolism in human gut isolates by combining transcriptional, biochemical, bioinformatic, and cultivation-based approaches. Quantitative reverse transcription-PCR analysis and in vitro biochemical characterization of two cut gene products linked the entire cluster to growth on choline and supported a model for this pathway. Analyses of sequenced bacterial genomes revealed that the cut cluster is present in many human gut bacteria, is predictive of choline utilization in sequenced isolates, and is widely but discontinuously distributed across multiple bacterial phyla. Given that bacterial phylogeny is a poor marker for choline utilization, we were prompted to develop a degenerate PCR-based method for detecting the key functional gene choline TMA-lyase (cutC) in genomic and metagenomic DNA. Using this tool, we found that new choline-metabolizing gut isolates universally possessed cutC. We also demonstrated that this gene is widespread in stool metagenomic data sets. Overall, this work represents a crucial step toward understanding anaerobic choline metabolism in the human gut microbiota and underscores the importance of examining this microbial community from a function-oriented perspective. Anaerobic choline utilization is a bacterial metabolic activity that occurs in the human gut and is linked to multiple diseases. While bacterial genes responsible for

  17. Weighted Clustering

    DEFF Research Database (Denmark)

    Ackerman, Margareta; Ben-David, Shai; Branzei, Simina

    2012-01-01

    the partitional and hierarchical settings, characterizing the conditions under which algorithms react to weights. Extending a recent framework for clustering algorithm selection, we propose intuitive properties that would allow users to choose between clustering algorithms in the weighted setting and classify...

  18. Galactic Structure from Open Clusters: Photometric Characterization of Reddening, Distance and Abundance

    Science.gov (United States)

    Anthony-Twarog, Barbara; Twarog, Bruce A.; Schuster, William

    1999-02-01

    Our recent work with open clusters has indicated a surprising demarcation of the Milky Way disk's metallicity as a function of distance from the Galactic center - an apparently abrupt drop in [Fe/H] from solar to -0.3 at R_GC=10 kpc (Twarog, Ashman & Anthony- Twarog 1997). We have asserted that due to uncertain reddenings, distances and abundance data, the step-down in [Fe/H] at 10 kpc has long been masked in previous studies or interpreted as a declining radial gradient in the disk's metallicity. Current work, including observations proposed here, will address these issues for disk clusters by using uvbyCaH(beta) photometry to determine foreground reddenings, abundances and cluster distances.

  19. RAMI: a tool for identification and characterization of phylogenetic clusters in microbial communities.

    Science.gov (United States)

    Pommier, Thomas; Canbäck, Björn; Lundberg, Per; Hagström, Ake; Tunlid, Anders

    2009-03-15

    The most common approach to estimate microbial diversity is based on the analysis of DNA sequences of specific target genes including ribosomal genes. Commonly, the sequences are grouped into operational taxonomic units based on genetic distance (sequence similarity) instead of genetic change (patristic distance). This method may fail to adequately identify clusters of evolutionary related sequences and it provides no information on the phylogenetic structure of the community. An ease-of-use web application for this purpose has been missing. We have developed RAMI, which clusters related nodes in a phylogenetic tree based on the patristic distance. RAMI also produces indices of cluster properties and other indices used in population and community studies on-the-fly. RAMI is licensed under GNU GPL and can be run or downloaded from http://www.acgt.se/online.html. http://www.acgt.se/RAMI/SuppInfo.

  20. Characterizing the Properties of Clusters of Galaxies as a Function of Luminosity and Redshift

    OpenAIRE

    Andersson, K.; Peterson, J. R.; Madejski, G.; Goobar, A.

    2009-01-01

    We report the application of a new Monte Carlo method, Smoothed Particle Inference (SPI, described in a pair of companion papers), towards analysis and interpretation of X-ray observations of clusters of galaxies with the XMM-Newton satellite. Our sample consists of publicly available, well-exposed observations of clusters at redshifts z > 0.069, totaling 101 objects. We determine the luminosity and temperature structure of the X-ray emitting gas, with the goal to quantify the scatter and the...

  1. Study of the optical properties and the carbonaceous clusters in DAM-ADC solid state nuclear track detectors

    Science.gov (United States)

    Rammah, Y. S.; Abdalla, A. M.

    2017-12-01

    The optical properties of DAM-ADC solid state nuclear track detectors (SSNTDs) were investigated. Samples of DAM-ADC detector were irradiated at room temperature with gamma doses in the range of 100-500 kGy using 1.25 MeV 60Co source of dose rate 4 kGy/h. The optical characterization of these detectors have been studied through the measurements of UV-visible absorption spectra of blank and γ- irradiated samples. The optical energy band gaps, Eg for the detectors were obtained from the direct and the indirect allowed transitions in K-space using two methods (Tauc's model and absorption spectrum fitting (ASF) method). The absorbance of DAM-ADC detector was found to increase with increasing of the gamma absorbed dose. The width of the tail of localized states in the band gap, Eu was evaluated with the Urbach's method. The number of carbon atoms per conjugated length (N), the number of carbon atoms per cluster (M), and refractive index (n) for the present samples were determined. Both of the direct and the indirect band gaps of DAM-ADC detector decrease with increasing of the gamma absorbed dose. Urbach's energy decreased significantly for the detector. An increase in N, M, and n with increasing of the gamma absorbed dose was noticed. Results shed light on the effect of gamma irradiations of DAM-ADC SSNTDs to suitable industrial applications and to modify the optical properties through gamma-induced modifications of the polymer structure.

  2. Solid-State Form Characterization of Riparin I

    Directory of Open Access Journals (Sweden)

    Elisana Afonso de Moura

    2017-10-01

    Full Text Available Riparin I is an alkamide with potential anxiolytic activity in preclinical studies. The characterization and understanding of solid-state properties play an importance role in drug development. For this work, the solid state of five riparin I batches (RIP-1, RIP-2, RIP-3, RIP-4, and RIP-5, obtained by the same synthesis process, were characterized by Scanning Electron Microscopy (SEM, Differential Scanning Calorimetry (DSC, DSC-photovisual, Thermogravimetry (TG, Fourier Transform Infrared (FTIR, Pyrolysis (Pyr-GC/MS, X-ray Powder Diffraction (PXRD, and Solid-State Nuclear Magnetic Resonance (ssNMR techniques. Batches of riparin I with different crystal habits resulting in crystallization impurities were observed, which can be attributed to the presence of triethylamine. The main differences were observed by DSC, PXRD, and ssNMR analysis. DSC curves of RIP-2 and RIP-3 presented endothermic peaks at different temperatures of fusion, which can be attributed to the mixture of different crystalline forms. PXRD and ssNMR results confirmed crystallinity differences. The results offer evidence of the importance of controlling the reproducibility of the synthesis in order to obtain the adequate morphology for therapeutic efficacy and avoiding future problems in quality control of riparin I products.

  3. Coherent 40-Hz Oscillation Characterizes Dream State in Humans

    Science.gov (United States)

    Llinas, Rodolfo; Ribary, Urs

    1993-03-01

    Magnetic recording from five normal human adults demonstrates large 40-Hz coherent magnetic activity in the awake and in rapid-eye-movement (REM) sleep states that is very reduced during delta sleep (deep sleep characterized by delta waves in the electroencephalogram). This 40-Hz magnetic oscillation has been shown to be reset by sensory stimuli in the awake state. Such resetting is not observed during REM or delta sleep. The 40 Hz in REM sleep is characterized, as is that in the awake state, by a fronto-occiptal phase shift over the head. This phase shift has a maximum duration of thickapprox12-13 msec. Because 40-Hz oscillation is seen in wakefulness and in dreaming, we propose it to be a correlate of cognition, probably resultant from coherent 40-Hz resonance between thalamocortical-specific and nonspecific loops. Moreover, we proposed that the specific loops give the content of cognition, and a nonspecific loop gives the temporal binding required for the unity of cognitive experience.

  4. Synthesis, Characterization and DNA Binding Affinities of Water Soluble Benzoheterocycle Triosmium Clusters

    Czech Academy of Sciences Publication Activity Database

    Rosenberg, E.; Spada, F.; Sugden, K.; Martin, B.; Milone, L.; Gobetto, R.; Viale, A.; Fiedler, Jan

    2003-01-01

    Roč. 668, 1/2 (2003), s. 51-58 ISSN 0022-328X R&D Projects: GA MŠk OC D15.10 Institutional research plan: CEZ:AV0Z4040901 Keywords : DNA * metal clusters * water soluble Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.042, year: 2003

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

    Indian Academy of Sciences (India)

    Unknown

    D BALAMURUGAN and R PRASAD*. Department of Physics, Indian Institute of Technology, Kanpur ... bond (Balamurugan and Prasad 2001). We find that Si3H6 cluster is most stable and Si3H3 cluster is .... Gallego S, Avila J, Martin M, Blasé X, Taleb A, Dumas P and. Asensio M C 2000 Phys. Rev. B61 12628. Gupte G R ...

  6. FEDERAL AND REGIONAL CLUSTER POLICY OF THE RUSSIAN FEDERATION

    Directory of Open Access Journals (Sweden)

    Markov L. S.

    2017-12-01

    Full Text Available The article reviews the history of cluster policy in Russia at the federal and regional levels. The federal cluster policy is realized in three directions, studying which allowed us to outline the main features of a formalized cluster that claims state support. The trend of reorientation of the cluster policy from supporting clusters and their infrastructure to cluster projects is revealed. Systematization and comparative analysis of the cluster policy in the regions of the country leading in terms of cluster development is carried out. It is established that the regional cluster policy is at a nascent stage and is a projection of the federal programs. At the regional level, there is no institutional basis for the cluster policy in Russia. The regional cluster policy is characterized by homogeneity of organizational structures.

  7. RAP-3A Computer code for thermal and hydraulic calculations in steady state conditions for fuel element clusters

    International Nuclear Information System (INIS)

    Popescu, C.; Biro, L.; Iftode, I.; Turcu, I.

    1975-10-01

    The RAP-3A computer code is designed for calculating the main steady state thermo-hydraulic parameters of multirod fuel clusters with liquid metal cooling. The programme provides a double accuracy computation of temperatures and axial enthalpy distributions of pressure losses and axial heat flux distributions in fuel clusters before boiling conditions occur. Physical and mathematical models as well as a sample problem are presented. The code is written in FORTRAN-4 language and is running on a IBM-370/135 computer

  8. Characterizing HIV transmission networks across the United States.

    Science.gov (United States)

    Aldous, Jeannette L; Pond, Sergei Kosakovsky; Poon, Art; Jain, Sonia; Qin, Huifang; Kahn, James S; Kitahata, Mari; Rodriguez, Benigno; Dennis, Ann M; Boswell, Stephen L; Haubrich, Richard; Smith, Davey M

    2012-10-01

    Clinically, human immunodeficiency virus type 1 (HIV-1) pol sequences are used to evaluate for drug resistance. These data can also be used to evaluate transmission networks and help describe factors associated with transmission risk. HIV-1 pol sequences from participants at 5 sites in the CFAR Network of Integrated Clinical Systems (CNICS) cohort from 2000-2009 were analyzed for genetic relatedness. Only the first available sequence per participant was included. Inferred transmission networks ("clusters") were defined as ≥2 sequences with ≤1.5% genetic distance. Clusters including ≥3 patients ("networks") were evaluated for clinical and demographic associations. Of 3697 sequences, 24% fell into inferred clusters: 155 clusters of 2 individuals ("dyads"), 54 clusters that included 3-14 individuals ("networks"), and 1 large cluster that included 336 individuals across all study sites. In multivariable analyses, factors associated with being in a cluster included not using antiretroviral (ARV) drugs at time of sampling (P 350 cells/mL (P 100,000 copies/mL (P networks, women were more likely to cluster with other women (P epidemiology can be applied to study HIV transmission networks in geographically and demographically diverse cohorts. Clustering was associated with lack of ARV use and higher viral load, implying transmission may be interrupted by earlier diagnosis and treatment. Observed female and African American networks reinforce the importance of diagnosis and prevention efforts targeted by sex and race.

  9. g-Anisotropy of the S2-state manganese cluster in single crystals of cyanobacterial photosystem II studied by W-band electron paramagnetic resonance spectroscopy.

    Science.gov (United States)

    Matsuoka, Hideto; Furukawa, Ko; Kato, Tatsuhisa; Mino, Hiroyuki; Shen, Jian-Ren; Kawamori, Asako

    2006-07-06

    The multiline signal from the S2-state manganese cluster in the oxygen evolving complex of photosystem II (PSII) was observed in single crystals of a thermophilic cyanobacterium Thermosynechococcus vulcanus for the first time by W-band (94 GHz) electron paramagnetic resonance (EPR). At W-band, spectra were characterized by the g-anisotropy, which enabled the precise determination of the tensor. Distinct hyperfine splittings (hfs's) as seen in frozen solutions of PSII at X-band (9.5 GHz) were detected in most of the crystal orientations relative to the magnetic field. In some orientations, however, the hfs's disappeared due to overlapping of a large number of EPR lines from eight crystallographic symmetry-related sites of the manganese cluster within the unit cell of the crystal. Analysis of the orientation-dependent spectral features yielded the following g-tensor components: g(x) = 1.988, g(y) = 1.981, g(z) = 1.965. The principal values suggested an approximate axial symmetry around the Mn(III) ion in the cluster.

  10. Stepwise Assembly and Characterization of DNA Linked Two-Color Quantum Dot Clusters.

    Science.gov (United States)

    Coopersmith, Kaitlin; Han, Hyunjoo; Maye, Mathew M

    2015-07-14

    The DNA-mediated self-assembly of multicolor quantum dot (QD) clusters via a stepwise approach is described. The CdSe/ZnS QDs were synthesized and functionalized with an amphiphilic copolymer, followed by ssDNA conjugation. At each functionalization step, the QDs were purified via gradient ultracentrifugation, which was found to remove excess polymer and QD aggregates, allowing for improved conjugation yields and assembly reactivity. The QDs were then assembled and disassembled in a stepwise manner at a ssDNA functionalized magnetic colloid, which provided a convenient way to remove unreacted QDs and ssDNA impurities. After assembly/disassembly, the clusters' optical characteristics were studied by fluorescence spectroscopy and the assembly morphology and stoichiometry was imaged via electron microscopy. The results indicate that a significant amount of QD-to-QD energy transfer occurred in the clusters, which was studied as a function of increasing acceptor-to-donor ratios, resulting in increased QD acceptor emission intensities compared to controls.

  11. Microscopic Characterization of Brevundimonas diminuta in the Hydrated State.

    Science.gov (United States)

    Harp, Gary; Cho, Seok-Jun; Lester, Elisabeth; Rose, David; Sabanyagam, Chandran; Ross, Scott F

    2015-01-01

    Brevundimonas diminuta is the organism most commonly used for challenge testing of sterilizing-grade filter membranes. ASTM F838-05 and PDA Technical Report 26 rely on B. diminuta ATCC #19146 for standard challenge tests used to designate sterilizing-grade filter performance. Despite the importance and widespread use of B. diminuta in filter testing and validation, information about this microorganism in its native hydrated state is limited. In this work, we measure, for the first time, the mechanical property of modulus for B. diminuta cultured in saline lactose broth (as described in ASTM F838-05) via wet atomic force microscopy. For comparison, we also imaged B. diminuta by the traditional method of electron microscopy after capture on a filter and chemical fixation. The modulus of hydrated B. diminuta cells was ∼193 mPa. To put this result into context, a simple model for pore penetration that correlates the role of the Young's modulus of hydrated cells to the penetration of sterilizing-grade filters is proposed. The model confirms the industry experience that pore size is an essential parameter in preventing the penetration of B. diminuta into sterilizing-grade filters. The small microorganism Brevundimonas diminuta is used to characterize the performance of sterilizing-grade filter membranes used in the manufacturing of sterile drug products. Little is known about the size, shape, or elasticity of living bacterial cells, as it is easier to characterize bacteria after chemical fixation in a dry state. In this work, we use atomic force microscopy to determine the size, shape, and deformability of this important microorganism while it is alive and fully hydrated. Additionally, we compare the physical and mechanical properties of B. diminuta measured in wet and dry states. This information can be used to advance our understanding of how filter membranes remove these organisms from fluid streams. © PDA, Inc. 2015.

  12. Rufinamide: Crystal structure elucidation and solid state characterization.

    Science.gov (United States)

    Salunke, Nita; Thipparaboina, Rajesh; Chavan, Rahul B; Lodagekar, Anurag; Mittapalli, Sudhir; Nangia, Ashwini; Shastri, Nalini R

    2018-02-05

    Rufinamide (R) is a triazole derivative approved for the management of partial seizures and seizures associated with Lennox-Gastaut Syndrome, in November 2007. Crystal structure, solid state characterization, drug-excipient compatibility and solubility play a pivotal role in formulation development. This work deals with the crystal structure elucidation of R by single crystal X-ray diffraction and solid state characterization by thermal, spectroscopic and crystallographic techniques. Drug- excipient compatibility was assessed by differential scanning calorimetry (DSC). New RP-HPLC method for quantification of R was developed with improved retention time. Solubility and dissolution of drug in different media was determined. Additionally, the flow behavior of the drug was evaluated by measuring Carr's index and Hausner's ratio, while the compressibility behavior was studied using Well's protocol. R crystallized from dimethylformamide (R-DMF) was utilized for single crystal analysis. The drug crystallized in triclinic crystal system with P-1 space group. Asymmetric unit cell consists of two molecules of R held by intermolecular hydrogen bond (connected by NH⋯O, which forms the catemeric chain). Analytical outcomes from DSC, thermogravimetric analysis (TGA) and powder X-ray diffraction (PXRD) revealed that the drug was present in pure crystalline form and was devoid of any polymorphic or pseudopolymorphic impurities. Influence of pH on the solubility and dissolution of R-DMF was found to be insignificant. The drug exhibited poor aqueous solubility, which was improved nearly 4.6 fold with the addition of 2% sodium lauryl sulphate (SLS). The drug exhibits poor flow and elastic compression nature. Excipients such as poly ethylene glycol (PEG) 8000, SLS, lactose monohydrate, starch and Hydroxypropyl methylcellulose (HPMC) E15 were incompatible with R-DMF as identified by thermal analysis. It is envisaged that these information regarding solid state properties of R

  13. Simulations of the dissociation of small helium clusters with ab initio molecular dynamics in electronically excited states

    International Nuclear Information System (INIS)

    Closser, Kristina D.; Head-Gordon, Martin; Gessner, Oliver

    2014-01-01

    The dynamics resulting from electronic excitations of helium clusters were explored using ab initio molecular dynamics. The simulations were performed with configuration interaction singles and adiabatic classical dynamics coupled to a state-following algorithm. 100 different configurations of He 7 were excited into the 2s and 2p manifold for a total of 2800 trajectories. While the most common outcome (90%) was complete fragmentation to 6 ground state atoms and 1 excited state atom, 3% of trajectories yielded bound, He 2 * , and <0.5% yielded an excited helium trimer. The nature of the dynamics, kinetic energy release, and connections to experiments are discussed

  14. Flood Risk Characterization for the Eastern United States

    Science.gov (United States)

    Villarini, G.; Smith, J. A.; Ntelekos, A. A.

    2009-04-01

    Tropical cyclones landfalling in the eastern United States pose a major risk for insured property and can lead to extensive damage through storm surge flooding, inland flooding or extreme windspeeds. Current hurricane cat-models do not include calculations of inland flooding from the outer rainfall bands of tropical cyclones but the issue is becoming increasingly important for commercial insurance risk assessment. The results of this study could be used to feed into the next generation of hurricane cat-models and assist in the calculation of damages from inland hurricane flood damage. Annual maximum peak discharge records from more than 400 stations in the eastern United States with at least 75 years of record to examine the role of landfalling tropical cyclones in controlling the upper tail of inland flood risk for the eastern United States. In addition to examining tropical cyclone inland flood risk at specific locations, the spatial extent of extreme flooding from lanfalling tropical cyclones is analyzed. Analyses of temporal trends and abrupt changes in the mean and variance of annual flood peaks are performed. Change-point analysis is performed using the non-parametric Pettitt test. Two non-parametric (Mann-Kendall and Spearman) tests and one parametric (Pearson) test are applied to detect the presence of temporal trends. Flood risk characterization centers on assessments of the spatial variation in "upper tail" properties of annual flood peak distributions. The modeling framework for flood frequency analysis is provided by the Generalized Additive Models for Location Scale and Shape (GAMLSS).

  15. Characterizing Awake and Anesthetized States Using a Dimensionality Reduction Method.

    Science.gov (United States)

    Mirsadeghi, M; Behnam, H; Shalbaf, R; Jelveh Moghadam, H

    2016-01-01

    Distinguishing between awake and anesthetized states is one of the important problems in surgery. Vital signals contain valuable information that can be used in prediction of different levels of anesthesia. Some monitors based on electroencephalogram (EEG) such as the Bispectral (BIS) index have been proposed in recent years. This study proposes a new method for characterizing between awake and anesthetized states. We validated our method by obtaining data from 25 patients during the cardiac surgery that requires cardiopulmonary bypass. At first, some linear and non-linear features are extracted from EEG signals. Then a method called "LLE"(Locally Linear Embedding) is used to map high-dimensional features in a three-dimensional output space. Finally, low dimensional data are used as an input to a quadratic discriminant analyzer (QDA). The experimental results indicate that an overall accuracy of 88.4 % can be obtained using this method for classifying the EEG signal into conscious and unconscious states for all patients. Considering the reliability of this method, we can develop a new EEG monitoring system that could assist the anesthesiologists to estimate the depth of anesthesia accurately.

  16. Race, deprivation, and immigrant isolation: The spatial demography of air-toxic clusters in the continental United States.

    Science.gov (United States)

    Liévanos, Raoul S

    2015-11-01

    This article contributes to environmental inequality outcomes research on the spatial and demographic factors associated with cumulative air-toxic health risks at multiple geographic scales across the United States. It employs a rigorous spatial cluster analysis of census tract-level 2005 estimated lifetime cancer risk (LCR) of ambient air-toxic emissions from stationary (e.g., facility) and mobile (e.g., vehicular) sources to locate spatial clusters of air-toxic LCR risk in the continental United States. It then tests intersectional environmental inequality hypotheses on the predictors of tract presence in air-toxic LCR clusters with tract-level principal component factor measures of economic deprivation by race and immigrant status. Logistic regression analyses show that net of controls, isolated Latino immigrant-economic deprivation is the strongest positive demographic predictor of tract presence in air-toxic LCR clusters, followed by black-economic deprivation and isolated Asian/Pacific Islander immigrant-economic deprivation. Findings suggest scholarly and practical implications for future research, advocacy, and policy. Copyright © 2015 Elsevier Inc. All rights reserved.

  17. Characterization and virulence clustering analysis of extraintestinal pathogenic Escherichia coli isolated from swine in China.

    Science.gov (United States)

    Zhu, Yinchu; Dong, Wenyang; Ma, Jiale; Yuan, Lvfeng; Hejair, Hassan M A; Pan, Zihao; Liu, Guangjin; Yao, Huochun

    2017-04-08

    Swine extraintestinal pathogenic Escherichia coli (ExPEC) is an important pathogen that leads to economic and welfare costs in the swine industry worldwide, and is occurring with increasing frequency in China. By far, various virulence factors have been recognized in ExPEC. Here, we investigated the virulence genotypes and clonal structure of collected strains to improve the knowledge of phylogenetic traits of porcine ExPECs in China. We isolated 64 Chinese porcine ExPEC strains from 2013 to 14 in China. By multiplex PCR, the distribution of isolates belonging to phylogenetic groups B1, B2, A and D was 9.4%, 10.9%, 57.8% and 21.9%, respectively. Nineteen virulence-related genes were detected by PCR assay; ompA, fimH, vat, traT and iutA were highly prevalent. Virulence-related genes were remarkably more prevalent in group B2 than in groups A, B1 and D; notably, usp, cnf1, hlyD, papA and ibeA were only found in group B2 strains. Genotyping analysis was performed and four clusters of strains (named I to IV) were identified. Cluster IV contained all isolates from group B2 and Cluster IV isolates had the strongest pathogenicity in a mouse infection model. As phylogenetic group B2 and D ExPEC isolates are generally considered virulent, multilocus sequence typing (MLST) analysis was performed for these isolates to further investigate genetic relationships. Two novel sequence types, ST5170 and ST5171, were discovered. Among the nine clonal complexes identified among our group B2 and D isolates, CC12 and CC95 have been indicated to have high zoonotic pathogenicity. The distinction between group B2 and non-B2 isolates in virulence and genotype accorded with MLST analysis. This study reveals significant genetic diversity among ExPEC isolates and helps us to better understand their pathogenesis. Importantly, our data suggest group B2 (Cluster IV) strains have the highest risk of causing animal disease and illustrate the correlation between genotype and virulence.

  18. Characterization of organophilic attapulgite clay from state of Piaui

    International Nuclear Information System (INIS)

    Silva, L.C. dos Santos; Alves, T.S.; Barbosa, R.

    2011-01-01

    The attapulgite is mineral clay typically fibrous. It owns a superficial area around 125 to 210 m²/g, cationics transfer capacity from 20 to 30 mill equivalents per 100g of clay, high capacity of sorption, considerable decolourizer capacity, chemical inertia and maintenance of thixotropics properties in the presence of electrolytes. The objective of this work was to perform the chemical modification of attapulgite original from state of Piaui - Brazil, for applications in polymeric nanocomposites. The chemical composition of clay without modification was determined by X-Ray Diffraction. The natural clay and organophilizated one were characterized by X-Ray Diffraction (XRD), by Fourier Transform Infra-Red spectroscopy (FTIR), and Foster's swelling. The obtained results indicated the presence of characteristics groups of the salt in the clay, alteration in its chemical composition, evidencing that the chemical modification in the clay was efficient, could the same be applied in preparation of polymeric nanocomposites. (author)

  19. High Power Solid State Retrofit Lamp Thermal Characterization and Modeling

    Directory of Open Access Journals (Sweden)

    J. Jakovenko

    2012-04-01

    Full Text Available Thermal and thermo-mechanical modeling and characterization of solid state lightening (SSL retrofit LED lamp are presented in this paper. Paramount importance is to design SSL lamps for reliability, in which thermal and thermo-mechanical aspects are key points. The main goal is to get a precise 3D thermal lamp model for further thermal optimization. Simulations are performed with ANSYS and CoventorWare software tools to compere different simulation approaches. Simulated thermal distribution has been validated with thermal measurement on a commercial 8W LED lamp. Materials parametric study has been carried out to discover problematic parts for heat transfer from power LEDs to ambient and future solutions are proposed. The objectives are to predict the thermal management by simulation of LED lamp, get more understanding in the effect of lamp shape and used materials in order to design more effective LED lamps and predict light quality, life time and reliability.

  20. Design, Synthesis, and Characterization of Novel Thiol-Derivatized Ibuprofen Monolayer Protected Gold Clusters

    International Nuclear Information System (INIS)

    Lee, K.H.; Lee, K.H.; Lin, Y.Sh.; Huang, P.J.

    2013-01-01

    A series of new thiol-derivatized ibuprofen monolayer protected gold clusters have been prepared by amidation of ibuprofen with alkyl alcohol or aminophenol affording the carboxamide, N-hydroxyalkyl amide 2, and N-hydroxyphenyl amide 6, which were then tosylate with p-toluenesulfonyl chloride at hydroxyl group to give 3 and 7. Reactions of 3 and 7 with NaSH afforded the mercapto derivatives 4 and 8. Conducting Brust’s reaction with a 3:1 mole ratio of thiolate ibuprofen/ AuCl 4 - yielded polydisperse thiol-derivatized ibuprofen-MPCs 5 and 9. All compounds have been identified by NMR, MS, UV, and IR spectroscopies. Compounds 4 and 8 and the MPCs 5 and 9 have been investigated by using the method of 1 H NMR spectroscopy. The broadening of the signals from 0.8 to 2.0 ppm in 1 H NMR spectrum of MPCs 5 and 9 confirmed the success of the conjugation of thiol-containing derivatives with nano gold cluster.

  1. Contraception after medication abortion in the United States: results from a cluster randomized trial.

    Science.gov (United States)

    Rocca, Corinne H; Goodman, Suzan; Grossman, Daniel; Cadwallader, Kara; Thompson, Kirsten M J; Talmont, Elizabeth; Speidel, J Joseph; Harper, Cynthia C

    2018-01-01

    Understanding how contraceptive choices and access differ for women having medication abortions compared to aspiration procedures can help to identify priorities for improved patient-centered postabortion contraceptive care. The objective of this study was to investigate the differences in contraceptive counseling, method choices, and use between medication and aspiration abortion patients. This subanalysis examines data from 643 abortion patients from 17 reproductive health centers in a cluster, randomized trial across the United States. We recruited participants aged 18-25 years who did not desire pregnancy and followed them for 1 year. We measured the effect of a full-staff contraceptive training and abortion type on contraceptive counseling, choice, and use with multivariable regression models, using generalized estimating equations for clustering. We used survival analysis with shared frailty to model actual intrauterine device and subdermal implant initiation over 1 year. Overall, 26% of participants (n = 166) had a medication abortion and 74% (n = 477) had an aspiration abortion at the enrollment visit. Women obtaining medication abortions were as likely as those having aspiration abortions to receive counseling on intrauterine devices or the implant (55%) and on a short-acting hormonal method (79%). The proportions of women choosing to use these methods (29% intrauterine device or implant, 58% short-acting hormonal) were also similar by abortion type. The proportions of women who actually used short-acting hormonal methods (71% medication vs 57% aspiration) and condoms or no method (20% vs 22%) within 3 months were not significantly different by abortion type. However, intrauterine device initiation over a year was significantly lower after the medication than the aspiration abortion (11 per 100 person-years vs 20 per 100 person-years, adjusted hazard ratio, 0.50; 95% confidence interval, 0.28-0.89). Implant initiation rates were low and similar by

  2. Distribution of Zeros and the Equation of State. III : Cluster Series, the Ideal Fermi-Dirac Gas and Other Problems

    OpenAIRE

    Kazuyosi, IKEDA; Department of Applied Physics, Osaka University

    1982-01-01

    The radius of convergence of the cluster series (expressing the equation of state) is discussed in connection with the distribution of zeros of the grand partition function on the complex z (= activity) plane, by giving various examples of circular distribution. Anomalous phase transitions and phase transitions of third order are considered by showing some examples of circular distribution of zeros. For the ideal Fermi-Dirac gas, the distribution function of zeros, lying on the part of the ne...

  3. Societal burden of cluster headache in the United States: a descriptive economic analysis.

    Science.gov (United States)

    Ford, Janet H; Nero, Damion; Kim, Gilwan; Chu, Bong Chul; Fowler, Robert; Ahl, Jonna; Martinez, James M

    2018-01-01

    To estimate direct and indirect costs in patients with a diagnosis of cluster headache in the US. Adult patients (18-64 years of age) enrolled in the Marketscan Commercial and Medicare Databases with ≥2 non-diagnostic outpatient (≥30 days apart between the two outpatient claims) or ≥1 inpatient diagnoses of cluster headache (ICD-9-CM code 339.00, 339.01, or 339.02) between January 1, 2009 and June 30, 2014, were included in the analyses. Patients had ≥6 months of continuous enrollment with medical and pharmacy coverage before and after the index date (first cluster headache diagnosis). Three outcomes were evaluated: (1) healthcare resource utilization, (2) direct healthcare costs, and (3) indirect costs associated with work days lost due to absenteeism and short-term disability. Direct costs included costs of all-cause and cluster headache-related outpatient, inpatient hospitalization, surgery, and pharmacy claims. Indirect costs were based on an average daily wage, which was estimated from the 2014 US Bureau of Labor Statistics and inflated to 2015 dollars. There were 9,328 patients with cluster headache claims included in the analysis. Cluster headache-related total direct costs (mean [standard deviation]) were $3,132 [$13,396] per patient per year (PPPY), accounting for 17.8% of the all-cause total direct cost. Cluster headache-related inpatient hospitalizations ($1,604) and pharmacy ($809) together ($2,413) contributed over 75% of the cluster headache-related direct healthcare cost. There were three sub-groups of patients with claims associated with indirect costs that included absenteeism, short-term disability, and absenteeism + short-term disability. Indirect costs PPPY were $4,928 [$4,860] for absenteeism, $803 [$2,621] for short-term disability, and $3,374 [$3,198] for absenteeism + disability. Patients with cluster headache have high healthcare costs that are associated with inpatient admissions and pharmacy fulfillments, and high

  4. Solid state synthesis and structural characterization of zinc titanates

    Energy Technology Data Exchange (ETDEWEB)

    Ayed, Sarra, E-mail: ayedsarra1@gmail.com [Laboratory of Composite Ceramic and Polymer Materials, Scientific Faculty of Sfax (Tunisia); Abdelkefi, Helmi; Khemakhem, Hamadi [Laboratory of Ferroelectric Materials, Scientific Faculty of Sfax (Tunisia); Matoussi, Adel [Laboratory of Composite Ceramic and Polymer Materials, Scientific Faculty of Sfax (Tunisia)

    2016-08-25

    Zinc titanate composite materials were synthesized via solid state sintering process using high-purity metal oxide powders (purity ∼99.99%). The titanium incorporation into ZnO matrix was investigated by X-ray diffraction which revealed the coexistence of spinel Zn{sub 2}TiO{sub 4} and hexagonal ZnTiO{sub 3} with the ZnO wurtzite structures. No reflection peaks of rutile TiO{sub 2} phase were detected. The IR spectroscopy and Raman scattering spectroscopy were used to characterize the structural and chemical properties of the ZnO/TiO{sub 2} composites. The IR bands and vibrational modes of all crystalline phases were detected. The effect of TiO{sub 2} doping rates (x = 3, 5 and 7 wt%) on bands shifting, Raman intensity and structural quality was discussed. - Highlights: • Zinc titanates materials were synthesized via solid state sintering process. • XRD measurements reveal the formation of Zn{sub 2}TiO{sub 4}, hexagonal ZnTiO{sub 3} and ZnO phases. • IR analysis provokes the presence of Ti−O stretching vibration bands. • Raman study provokes the appearance of new zinc titanates vibrational peaks. • The TiO{sub 2} effect into ZnO is sensed by the shift and intensity changes of peaks.

  5. Characterization of esophageal physiology using mechanical state analysis

    Directory of Open Access Journals (Sweden)

    Richard Eduard Leibbrandt

    2016-02-01

    Full Text Available The esophagus functions to transport swallowed fluids and food from the pharynx to the stomach. The esophageal muscles governing bolus transport comprise circular striated muscle of the proximal esophagus and circular smooth muscle of the distal esophagus. Longitudinal smooth muscle contraction provides a mechanical advantage to bolus transit during circular smooth muscle contraction. Esophageal striated muscle is directly controlled by neural circuits originating in the central nervous system, resulting in coordinated contractions. In contrast, the esophageal smooth muscle is controlled by enteric circuits modulated by extrinsic central neural connections resulting in neural relaxation and contraction. The esophageal muscles are modulated by sensory information arising from within the lumen. Contraction or relaxation, which changes the diameter of the lumen, alters the intraluminal pressure and ultimately inhibits or promotes flow of content. This relationship that exists between the changes in diameter and concurrent changes in intraluminal pressure has been used previously to identify the ‘mechanical states’ of the circular muscle; that is when the muscles are passively or actively, relaxing or contracting. Detecting these changes in the mechanical state of the muscle has been difficult and, as the current interpretation of esophageal motility is based largely upon pressure measurement (manometry, subtle changes in the muscle function during peristalsis can be missed. We hypothesized that quantification of mechanical states of the esophageal circular muscles and the pressure-diameter properties that define them, would allow objective characterization of the mechanisms that govern esophageal peristalsis. To achieve this we analyzed barium swallows captured by simultaneous videofluoroscopy and pressure with impedance recording. From these data we demonstrated that intraluminal impedance measurements could be used to determine changes in the

  6. Detection and Characterization of the Fimbrial sfp Cluster in Enterohemorrhagic Escherichia coli O165:H25/NM Isolates from Humans and Cattle ▿

    OpenAIRE

    Bielaszewska, Martina; Prager, Rita; Vandivinit, Liz; Müsken, Anne; Mellmann, Alexander; Holt, Nicholas J.; Tarr, Phillip I.; Karch, Helge; Zhang, Wenlan

    2008-01-01

    The sfp cluster, encoding Sfp fimbriae and located in the large plasmid of sorbitol-fermenting (SF) enterohemorrhagic Escherichia coli (EHEC) O157 (pSFO157), has been considered a unique characteristic of this organism. We discovered and then characterized the sfp cluster in EHEC O165:H25/NM (nonmotile) isolates of human and bovine origin. All seven strains investigated harbored a complete sfp cluster (carrying sfpA, sfpH, sfpC, sfpD, sfpJ, sfpF, and sfpG) of 6,838 bp with >99% nucleotide seq...

  7. Robo-AO Discovery and Basic Characterization of Wide Multiple Star Systems in the Pleiades, Praesepe, and NGC 2264 Clusters

    Science.gov (United States)

    Hillenbrand, Lynne A.; Zhang, Celia; Riddle, Reed L.; Baranec, Christoph; Ziegler, Carl; Law, Nicholas M.; Stauffer, John

    2018-02-01

    We identify and roughly characterize 66 candidate binary star systems in the Pleiades, Praesepe, and NGC 2264 star clusters, based on robotic adaptive optics imaging data obtained using Robo-AO at the Palomar 60″ telescope. Only ∼10% of our imaged pairs were previously known. We detect companions at red optical wavelengths, with physical separations ranging from a few tens to a few thousands of au. A three-sigma contrast curve generated for each final image provides upper limits to the brightness ratios for any undetected putative companions. The observations are sensitive to companions with a maximum contrast of ∼6m at larger separations. At smaller separations, the mean (best) raw contrast at 2″ is 3.ͫ8 (6m), at 1″ is 3.ͫ0 (4.ͫ5), and at 0.″5 is 1.ͫ9 (3m). Point-spread function subtraction can recover nearly the full contrast in the closer separations. For detected candidate binary pairs, we report separations, position angles, and relative magnitudes. Theoretical isochrones appropriate to the Pleiades and Praesepe clusters are then used to determine the corresponding binary mass ratios, which range from 0.2 to 0.9 in q={m}2/{m}1. For our sample of roughly solar-mass (FGK type) stars in NGC 2264 and sub-solar-mass (K and early M-type) primaries in the Pleiades and Praesepe, the overall binary frequency is measured at ∼15.5% ± 2%. However, this value should be considered a lower limit to the true binary fraction within the specified separation and mass ratio ranges in these clusters, given that complex and uncertain corrections for sensitivity and completeness have not been applied.

  8. Phenotypic characterization of the population of creole wool ewes in the highlands of Puebla State, Mexico.

    Science.gov (United States)

    Vargas-López, Samuel; Guerrero-Rodríguez, Juan de Dios; Rojas-Álvarez, Joel; Bustamante-González, Angel

    2012-12-01

    This study characterized the population of wool ewes in the highlands of the State of Puebla, Mexico, considering traits such as fleece color, weight, and body measurements. In this region, dominated by a temperate climate, sheep are a traditional animal species for farming systems. To carry out the work, 2,082 ewes were randomly selected from 14 communities and 124 flocks belonging to the six municipalities that have the largest inventory of sheep in the state. For each ewe, live weight, breed, fleece color pattern, and 18 other body measurements were recorded. Descriptive statistics were estimated for weight and body traits and the morphotype was classified by multivariate analysis. Factor analysis identified the bulk, size, and breed standard as the attributes that best describe the population of ewes. These elements varied in importance among the groups (p < 0.05). Cluster analysis helped to classify the population into small black-faced ewes (28.5 %), small white ewes (11.9 %), black-faced medium-sized ewes (24.1 %), large ewes (12.3 %), and white medium-sized ewes (23.2 %). The groups identified were similar to creole sheep present in rural communities in other environments, but have lower morphostructural values than specialized breeds.

  9. An evaluation of unsupervised and supervised learning algorithms for clustering landscape types in the United States

    Science.gov (United States)

    Wendel, Jochen; Buttenfield, Barbara P.; Stanislawski, Larry V.

    2016-01-01

    Knowledge of landscape type can inform cartographic generalization of hydrographic features, because landscape characteristics provide an important geographic context that affects variation in channel geometry, flow pattern, and network configuration. Landscape types are characterized by expansive spatial gradients, lacking abrupt changes between adjacent classes; and as having a limited number of outliers that might confound classification. The US Geological Survey (USGS) is exploring methods to automate generalization of features in the National Hydrography Data set (NHD), to associate specific sequences of processing operations and parameters with specific landscape characteristics, thus obviating manual selection of a unique processing strategy for every NHD watershed unit. A chronology of methods to delineate physiographic regions for the United States is described, including a recent maximum likelihood classification based on seven input variables. This research compares unsupervised and supervised algorithms applied to these seven input variables, to evaluate and possibly refine the recent classification. Evaluation metrics for unsupervised methods include the Davies–Bouldin index, the Silhouette index, and the Dunn index as well as quantization and topographic error metrics. Cross validation and misclassification rate analysis are used to evaluate supervised classification methods. The paper reports the comparative analysis and its impact on the selection of landscape regions. The compared solutions show problems in areas of high landscape diversity. There is some indication that additional input variables, additional classes, or more sophisticated methods can refine the existing classification.

  10. Self-assembly of Fe3O4 nanocrystal-clusters into cauliflower-like architectures: Synthesis and characterization

    International Nuclear Information System (INIS)

    Zhu Luping; Liao Guihong; Bing Naici; Wang Linlin; Xie Hongyong

    2011-01-01

    Large-scale cauliflower-like Fe 3 O 4 architectures consist of well-assembled magnetite nanocrystal clusters have been synthesized by a simple solvothermal process. The as-synthesized Fe 3 O 4 samples were characterized by XRD, XPS, FT-IR, SEM, TEM, etc. The results show that the samples exhibit cauliflower-like hierarchical microstructures. The influences of synthesis parameters on the morphology of the samples were experimentally investigated. Magnetic properties of the Fe 3 O 4 cauliflower-like hierarchical microstructures have been detected by VSM at room temperature, showing a relatively low saturation magnetization of 65 emu/g and an enhanced coercive force of 247 Oe. - Graphical Abstract: Cauliflower-like Fe 3 O 4 architectures consist of well-assembled magnetite nanocrystal clusters have been synthesized by a simple solvothermal process, using FeCl 3 .6H 2 O and EDA as the starting materials. Highlights: → Cauliflower-like Fe 3 O 4 architectures were successfully prepared by a simple solvothermal route. → The cauliflower-like Fe 3 O 4 architectures have a size in the range of 200-300 nm. → They show a low saturation magnetization of 65 emu/g and an enhanced coercive force of 247 Oe. → These Fe 3 O 4 architectures may have potential applications in catalysis and biological fields.

  11. Getter Incorporation into Cast Stone and Solid State Characterizations

    Energy Technology Data Exchange (ETDEWEB)

    Asmussen, Robert M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lawter, Amanda R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Stephenson, John R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Bowden, Mark E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Washton, Nancy M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Neeway, James J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Du, Yingge [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Pearce, Carolyn I. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Clayton, Ray E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Saslow, Sarah A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Buck, Edgar C. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Cordova, Elsa [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Qafoku, Nikolla [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2016-09-28

    Washington River Protection Solutions (WRPS) is collecting relevant available data on waste forms for use as a supplemental immobilization technology, to provide the additional capacity needed to treat low-activity waste (LAW) in Hanford Site tanks and complete the tank waste cleanup mission in a timely and cost-effective manner. One candidate supplemental waste form, fabricated using a low-temperature process, is a cementitious grout called Cast Stone. Cast Stone has been under investigation for this application at Pacific Northwest National Laboratory (PNNL) since initial screening tests in FY13. This report is the culmination of work to lower the diffusivities of Tc and I from Cast Stone using getters. Getters are compounds added to a system designed to selectively sequester a species of interest to provide increased stability to the species. The work contained within this report is related to waste form development and testing, and does not directly support the 2017 integrated disposal facility (IDF) performance assessment. However, this work contains valuable information which may be used in performance assessment maintenance past FY17, and in future waste form development. This report on performance characterization of Tc and I getters in Cast Stone fabricated with simulated LAW covers several areas of interest and major findings to WRPS: investigating performance of potassium metal sulfide (KMS-2-SS) and tin (II) apatite (Sn-A) as Tc getters when incorporated into Cast Stone; investigating performance of silver exchanged zeolite (Ag-Z) and argentite (Arg) as I getters when incorporated into Cast Stone; utilizing sequential addition of Tc and I getters to overcome any deleterious interactions between the getters in solution; determining, for the first time, Tc distribution within the cured Cast Stone and its evolution during leaching; and performing solid state characterization of getters and Cast Stone samples to support leach test findings and develop a

  12. Perturbative triples correction for explicitly correlated Mukherjee's state-specific coupled cluster method

    Czech Academy of Sciences Publication Activity Database

    Demel, Ondřej; Kedžuch, S.; Noga, J.; Pittner, Jiří

    2013-01-01

    Roč. 111, 16-17 (2013), s. 2477-2488 ISSN 0026-8976 R&D Projects: GA ČR GPP208/10/P041; GA ČR GAP208/11/2222 Institutional support: RVO:61388955 Keywords : explicitly correlated * coupled cluster * multireference Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.642, year: 2013

  13. A Computational Study of Rare Gas Clusters: Stepping Stones to the Solid State

    Science.gov (United States)

    Glendening, Eric D.; Halpern, Arthur M.

    2012-01-01

    An upper-level undergraduate or beginning graduate project is described in which students obtain the Lennard-Jones 6-12 potential parameters for Ne[subscript 2] and Ar[subscript 2] from ab initio calculations and use the results to express pairwise interactions between the atoms in clusters containing up to N = 60 atoms. The students use simulated…

  14. Metal-halide systems: From molecular clusters to liquid-state structure

    Directory of Open Access Journals (Sweden)

    Mario P. Tosi

    2015-03-01

    Full Text Available I present a short review of the relationship between quantum-mechanical calculations on small molecular clusters of some metal-ion halides and studies of the microscopic structure in the condensed liquid phases of these compounds. The review is dedicated to the memory of Professor Vincenzo Grasso.

  15. Defect Clustering and Nano-Phase Structure Characterization of Multi-Component Rare Earth Oxide Doped Zirconia-Yttria Thermal Barrier Coatings

    Science.gov (United States)

    Zhu, Dongming; Chen, Yuan L.; Miller, Robert A.

    2003-01-01

    Advanced oxide thermal barrier coatings have been developed by incorporating multi-component rare earth oxide dopants into zirconia-yttria to effectively promote the creation of the thermodynamically stable, immobile oxide defect clusters and/or nano-scale phases within the coating systems. The presence of these nano-sized defect clusters has found to significantly reduce the coating intrinsic thermal conductivity, improve sintering resistance, and maintain long-term high temperature stability. In this paper, the defect clusters and nano-structured phases, which were created by the addition of multi-component rare earth dopants to the plasma-sprayed and electron-beam physical vapor deposited thermal barrier coatings, were characterized by high-resolution transmission electron microscopy (TEM). The defect cluster size, distribution, crystallographic and compositional information were investigated using high-resolution TEM lattice imaging, selected area diffraction (SAD), electron energy-loss spectroscopy (EELS) and energy dispersive spectroscopy (EDS) analysis techniques. The results showed that substantial defect clusters were formed in the advanced multi-component rare earth oxide doped zirconia- yttria systems. The size of the oxide defect clusters and the cluster dopant segregation was typically ranging from 5 to 50 nm. These multi-component dopant induced defect clusters are an important factor for the coating long-term high temperature stability and excellent performance.

  16. Refilling process in the plasmasphere: a 3-D statistical characterization based on Cluster density observations

    Directory of Open Access Journals (Sweden)

    G. Lointier

    2013-02-01

    Full Text Available The Cluster mission offers an excellent opportunity to investigate the evolution of the plasma population in a large part of the inner magnetosphere, explored near its orbit's perigee, over a complete solar cycle. The WHISPER sounder, on board each satellite of the mission, is particularly suitable to study the electron density in this region, between 0.2 and 80 cm−3. Compiling WHISPER observations during 1339 perigee passes distributed over more than three years of the Cluster mission, we present first results of a statistical analysis dedicated to the study of the electron density morphology and dynamics along and across magnetic field lines between L = 2 and L = 10. In this study, we examine a specific topic: the refilling of the plasmasphere and trough regions during extended periods of quiet magnetic conditions. To do so, we survey the evolution of the ap index during the days preceding each perigee crossing and sort out electron density profiles along the orbit according to three classes, namely after respectively less than 2 days, between 2 and 4 days, and more than 4 days of quiet magnetic conditions (ap ≤ 15 nT following an active episode (ap > 15 nT. This leads to three independent data subsets. Comparisons between density distributions in the 3-D plasmasphere and trough regions at the three stages of quiet magnetosphere provide novel views about the distribution of matter inside the inner magnetosphere during several days of low activity. Clear signatures of a refilling process inside an expended plasmasphere in formation are noted. A plasmapause-like boundary, at L ~ 6 for all MLT sectors, is formed after 3 to 4 days and expends somewhat further after that. In the outer part of the plasmasphere (L ~ 8, latitudinal profiles of median density values vary essentially according to the MLT sector considered rather than according to the refilling duration. The shape of these density profiles indicates that magnetic flux tubes are not

  17. Synthesis, structure, morphology and stoichiometry characterization of cluster and nano magnetite

    Energy Technology Data Exchange (ETDEWEB)

    Singh, L. Herojit; Pati, S.S. [Institute of Physics, University of Brasilia, 70919-970, Brasilia, DF (Brazil); Guimarães, Edi M. [Institute of Geoscience, University of Brasilia, 70910-900, Brasilia, DF (Brazil); Rodrigues, P.A.M.; Oliveira, Aderbal C. [Institute of Physics, University of Brasilia, 70919-970, Brasilia, DF (Brazil); Garg, V.K., E-mail: vijgarg@gmail.com [Institute of Physics, University of Brasilia, 70919-970, Brasilia, DF (Brazil)

    2016-08-01

    We have studied the stoichiometry of magnetite nanoparticles using three spectroscopic techniques: Mössbauer, photoacoustic and ferromagnetic resonance (FMR). By varying the weight ratio of the Fe precursor to the reducing agent (sodium acetate) and a post-synthesis annealing, we were able to synthesize samples with different amounts of Fe vacancies, from stoichiometric Fe{sub 3}O{sub 4} to γ-Fe{sub 2}O{sub 3}. By synthesizing magnetite in the presence of zeolite we obtained nanoparticles within the 3–10 nm diameter range. The spectroscopic results show that there is a correlation between the amount of Fe vacancies and (i) the optical absorption and (ii) the g-values from the Electron paramagnetic resonance EPR spectra of the nanoparticles. - Highlights: • Magnetite nanoparticles and cluster synthesized. • Photoacoustic spectroscopy is effective in determining the stoichiometry. • Particles with 9 nm size has 0 < δ < 0.14. • Less than 9 nm gives 0.14 < δ < 0.3 and size <3 nm have δ = 0.33 (i.e. γ-Fe{sub 2}O{sub 3}).

  18. Identification of Voxels Confounded by Venous Signals Using Resting-State fMRI Functional Connectivity Graph Clustering

    Directory of Open Access Journals (Sweden)

    Klaudius eKalcher

    2015-12-01

    Full Text Available Identifying venous voxels in fMRI datasets is important to increase the specificity of fMRI analyses to microvasculature in the vicinity of the neural processes triggering the BOLD response. This is, however, difficult to achieve in particular in typical studies where magnitude images of BOLD EPI are the only data available. In this study, voxelwise functional connectivity graphs were computed on minimally preprocessed low TR (333 ms multiband resting-state fMRI data, using both high positive and negative correlations to define edges between nodes (voxels. A high correlation threshold for binarization ensures that most edges in the resulting sparse graph reflect the high coherence of signals in medium to large veins. Graph clustering based on the optimization of modularity was then employed to identify clusters of coherent voxels in this graph, and all clusters of 50 or more voxels were then interpreted as corresponding to medium to large veins. Indeed, a comparison with SWI reveals that 75.6 ± 5.9% of voxels within these large clusters overlap with veins visible in the SWI image or lie outside the brain parenchyma. Some of the remainingdifferences between the two modalities can be explained by imperfect alignment or geometric distortions between the two images. Overall, the graph clustering based method for identifying venous voxels has a high specificity as well as the additional advantages of being computed in the same voxel grid as the fMRI dataset itself and not needingany additional data beyond what is usually acquired (and exported in standard fMRI experiments.

  19. Data Clustering

    Science.gov (United States)

    Wagstaff, Kiri L.

    2012-03-01

    On obtaining a new data set, the researcher is immediately faced with the challenge of obtaining a high-level understanding from the observations. What does a typical item look like? What are the dominant trends? How many distinct groups are included in the data set, and how is each one characterized? Which observable values are common, and which rarely occur? Which items stand out as anomalies or outliers from the rest of the data? This challenge is exacerbated by the steady growth in data set size [11] as new instruments push into new frontiers of parameter space, via improvements in temporal, spatial, and spectral resolution, or by the desire to "fuse" observations from different modalities and instruments into a larger-picture understanding of the same underlying phenomenon. Data clustering algorithms provide a variety of solutions for this task. They can generate summaries, locate outliers, compress data, identify dense or sparse regions of feature space, and build data models. It is useful to note up front that "clusters" in this context refer to groups of items within some descriptive feature space, not (necessarily) to "galaxy clusters" which are dense regions in physical space. The goal of this chapter is to survey a variety of data clustering methods, with an eye toward their applicability to astronomical data analysis. In addition to improving the individual researcher’s understanding of a given data set, clustering has led directly to scientific advances, such as the discovery of new subclasses of stars [14] and gamma-ray bursts (GRBs) [38]. All clustering algorithms seek to identify groups within a data set that reflect some observed, quantifiable structure. Clustering is traditionally an unsupervised approach to data analysis, in the sense that it operates without any direct guidance about which items should be assigned to which clusters. There has been a recent trend in the clustering literature toward supporting semisupervised or constrained

  20. Characterization of the hypercoagulable state following severe orthopedic trauma.

    Science.gov (United States)

    White, Amanda E; Edelman, J James B; Lott, Natalie; Bannon, Paul G; McElduff, Patrick; Curnow, Jennifer L; Balogh, Zsolt J

    2014-08-01

    Acute traumatic coagulopathy develops in seriously injured patients, which is followed by a paradoxical hypercoagulable state. The hypercoagulable state contributes to venous thromboembolism, and yet, there are no sensitive tests available to detect it. The aim of this study was to characterize the hypercoagulable state caused by major orthopedic trauma using the overall hemostatic potential (OHP) assay. Major orthopedic trauma patients admitted during a 7-month period in 2012 were included in the study. Blood samples were drawn 1 hour before surgery, then 1, 7, 24 hours and 3, 5, 10, and 42 days postoperatively. The assay parameters were determined and analyzed according to injury severity (polytrauma or nonpolytrauma), type of surgical intervention, and shock status. Values were compared with 20 healthy controls. Forty-one consecutive patients were enrolled (age, 41.5 ± 2.7 years; 70% male; Injury Severity Score [ISS], 21.5 ± 2.1). Hypercoagulability based on OHP was present in the preoperative sample compared with the controls (OHP, 13.8 ± 1.4 U vs. 8.1 ± 0.5 U; p = 0.020) and then further elevated after surgery (1 hour postoperative, 17.8 ± 2.0 U vs. preoperative, 13.8 ± 1.4 U, p = 0.008). Polytrauma patients were more hypercoagulable than nonpolytrauma at the preoperative sample time (17.7 ± 2.6 U vs. 10.7 ± 1.2 U, p = 0.040) and postoperative period (24.3 ± 3.4 U vs. 11.9 ± 1.4 U, p = 0.006). The OHP for patients undergoing open pelvic surgery (28.3 ± 3.0 U) was higher than both intramedullary nailing (16.2 ± 2.0 U) and percutaneous pelvic surgery (17.0 ± 1.7 U) on Day 5 (p trauma and surgical intervention, which was present for 10 days postoperatively. The extent of hypercoagulability could be associated with polytrauma and the type of surgical intervention; however, further studies are needed to confirm this. Epidemiologic study, level III.

  1. State of the art of parallel scientific visualization applications on PC clusters; Etat de l'art des applications de visualisation scientifique paralleles sur grappes de PC

    Energy Technology Data Exchange (ETDEWEB)

    Juliachs, M

    2004-07-01

    In this state of the art on parallel scientific visualization applications on PC clusters, we deal with both surface and volume rendering approaches. We first analyze available PC cluster configurations and existing parallel rendering software components for parallel graphics rendering. CEA/DIF has been studying cluster visualization since 2001. This report is part of a study to set up a new visualization research platform. This platform consisting of an eight-node PC cluster under Linux and a tiled display was installed in collaboration with Versailles-Saint-Quentin University in August 2003. (author)

  2. The Next Generation Virgo Cluster Survey. XXVIII. Characterization of the Galactic White Dwarf Population

    Energy Technology Data Exchange (ETDEWEB)

    Fantin, Nicholas J. [Department of Physics and Astronomy,University of Victoria, Victoria, BC, V8P 1A1 (Canada); Côté, Patrick; Gwyn, S. D. J.; Ferrarese, Laura; McConnachie, Alan [National Research Council of Canada, Herzberg Astronomy and Astrophysics Program, 5071 W. Saanich Road, Victoria, BC, V9E 2E7 (Canada); Hanes, David A. [Queen’s University, Department of Physics, Engineering Physics and Astronomy, Kingston, Ontario (Canada); Bianchi, Luciana [Department of Physics and Astronomy, The Johns Hopkins University, 3400 N. Charles Street, Baltimore, MD 21218 (United States); Cuillandre, Jean-Charles [CEA/IRFU/SAp, Laboratoire AIM Paris-Saclay, CNRS/INSU, Université Paris Diderot, Observatoire de Paris, PSL Research University, F-91191 Gif-sur-Yvette Cedex (France); Starkenburg, Else, E-mail: nfantin@uvic.ca [Leibniz Institute for Astrophysics Potsdam (AIP), An der Sternwarte 16, D-14482 Potsdam (Germany)

    2017-07-01

    We use three different techniques to identify hundreds of white dwarf (WD) candidates in the Next Generation Virgo Cluster Survey (NGVS) based on photometry from the NGVS and GUViCS, and proper motions derived from the NGVS and the Sloan Digital Sky Survey (SDSS). Photometric distances for these candidates are calculated using theoretical color–absolute magnitude relations, while effective temperatures are measured by fitting their spectral energy distributions. Disk and halo WD candidates are separated using a tangential velocity cut of 200 km s{sup −1} in a reduced proper motion diagram, which leads to a sample of six halo WD candidates. Cooling ages, calculated for an assumed WD mass of 0.6 M {sub ⊙}, range between 60 Myr and 6 Gyr, although these estimates depend sensitively on the adopted mass. Luminosity functions for the disk and halo subsamples are constructed and compared to previous results from the SDSS and SuperCOSMOS survey. We compute a number density of (2.81 ± 0.52) × 10{sup −3} pc{sup −3} for the disk WD population—consistent with previous measurements. We find (7.85 ± 4.55) × 10{sup −6} pc{sup −3} for the halo, or 0.3% of the disk. Observed stellar counts are also compared to predictions made by the TRILEGAL and Besançon stellar population synthesis models. The comparison suggests that the TRILEGAL model overpredicts the total number of WDs. The WD counts predicted by the Besançon model agree with the observations, although a discrepancy arises when comparing the predicted and observed halo WD populations; the difference is likely due to the WD masses in the adopted model halo.

  3. A GIS-based multivariate clustering for characterization and ecoregion mapping from a viticultural perspective

    Energy Technology Data Exchange (ETDEWEB)

    Moral, F.J.; Rebollo, F.J.; Paniagua, L.L.; García-Martín, A.

    2016-11-01

    In wine-growing regions, zoning studies define areas according to their potential to produce specific wines and also identify the key drivers behind their variability and optimize vineyard management for sustainable viticulture. However, delineation of homogeneous zones is difficult because of the complex combination of factors which could affect zone classifications. One possibility to capture potential variability is the use of natural environmental properties as they are related to success in grape growing. With the aim of characterizing the spatial variability of the main vine-related environmental variables and determining different zones, climate and topographical data were obtained for Extremadura (southwestern Spain), an important wine region. Firstly, accurate maps of all climate indices were generated by using regression-kriging as the most suitable algorithm in which exhaustive secondary information on elevation was incorporated, and maps of topography-derived variables were obtained using GIS (Geographical Information System) tools. Secondly, principal component analysis and multivariate geographic classification were used to define homogeneous classes, resulting in three zones. Each zone was further characterized by overlaying the zonation map with a geology map and all enviromental layers. It was obtained that although a wide part of the Extremaduran territory has warm climate characteristics, the zones have different viticultural potential and a high proportion of the region lays on suitable substrate. This zonation in Extremadura is the basis for further zoning studies at more detailed field scale and the modeling of vineyard response to climate change. (Author)

  4. A GIS-based multivariate clustering for characterization and ecoregion mapping from a viticultural perspective

    Directory of Open Access Journals (Sweden)

    Francisco J. Moral

    2016-08-01

    Full Text Available In wine-growing regions, zoning studies define areas according to their potential to produce specific wines and also identify the key drivers behind their variability and optimize vineyard management for sustainable viticulture. However, delineation of homogeneous zones is difficult because of the complex combination of factors which could affect zone classifications. One possibility to capture potential variability is the use of natural environmental properties as they are related to success in grape growing. With the aim of characterizing the spatial variability of the main vine-related environmental variables and determining different zones, climate and topographical data were obtained for Extremadura (southwestern Spain, an important wine region. Firstly, accurate maps of all climate indices were generated by using regression-kriging as the most suitable algorithm in which exhaustive secondary information on elevation was incorporated, and maps of topography-derived variables were obtained using GIS (Geographical Information System tools. Secondly, principal component analysis and multivariate geographic classification were used to define homogeneous classes, resulting in three zones. Each zone was further characterized by overlaying the zonation map with a geology map and all enviromental layers. It was obtained that although a wide part of the Extremaduran territory has warm climate characteristics, the zones have different viticultural potential and a high proportion of the region lays on suitable substrate. This zonation in Extremadura is the basis for further zoning studies at more detailed field scale and the modeling of vineyard response to climate change.

  5. Functional characterization of diverse ring-hydroxylating oxygenases and induction of complex aromatic catabolic gene clusters in Sphingobium sp. PNB

    Directory of Open Access Journals (Sweden)

    Pratick Khara

    2014-01-01

    Full Text Available Sphingobium sp. PNB, like other sphingomonads, has multiple ring-hydroxylating oxygenase (RHO genes. Three different fosmid clones have been sequenced to identify the putative genes responsible for the degradation of various aromatics in this bacterial strain. Comparison of the map of the catabolic genes with that of different sphingomonads revealed a similar arrangement of gene clusters that harbors seven sets of RHO terminal components and a sole set of electron transport (ET proteins. The presence of distinctly conserved amino acid residues in ferredoxin and in silico molecular docking analyses of ferredoxin with the well characterized terminal oxygenase components indicated the structural uniqueness of the ET component in sphingomonads. The predicted substrate specificities, derived from the phylogenetic relationship of each of the RHOs, were examined based on transformation of putative substrates and their structural homologs by the recombinant strains expressing each of the oxygenases and the sole set of available ET proteins. The RHO AhdA1bA2b was functionally characterized for the first time and was found to be capable of transforming ethylbenzene, propylbenzene, cumene, p-cymene and biphenyl, in addition to a number of polycyclic aromatic hydrocarbons. Overexpression of aromatic catabolic genes in strain PNB, revealed by real-time PCR analyses, is a way forward to understand the complex regulation of degradative genes in sphingomonads.

  6. Solid-state characterization of amorphous and mesomorphous calcium ketoprofen.

    Science.gov (United States)

    Atassi, Faraj; Mao, Chen; Masadeh, Ahmad S; Byrn, Stephen R

    2010-09-01

    This article is concerned with exploring the application of pair distribution in pharmaceutical analysis. The solid-state characterization of amorphous and mesomorphous (liquid crystalline) calcium ketoprofen is used as an example and the structures of the amorphous and mesomorphous phases of calcium ketoprofen are compared to that of the crystalline phase. An approach to calculating the optimal experimental parameters in pair distribution function (PDF) analysis as well as a suggested method to help assign the many different peaks in a PDF diagram of an organic material are discussed. The studied salts were analyzed by X-ray powder diffraction (XRPD), single crystal X-ray diffraction, Raman spectroscopy, polarized light microscopy (PLM), solid-state NMR (SSNMR), variable-temperature SSNMR, and PDF. Raman and SSNMR were useful techniques in identifying and differentiating the crystalline phase from the other two phases but failed, alone, to differentiate between the amorphous and mesomorphous phases. The absence of significant changes in chemical shifts in SSNMR and peak shifts in Raman spectra suggested that the differences in the molecular environment of the major chemical groups in the amorphous and mesomorphous phases were minimal. However, the broadening of the Raman and SSNMR peaks in the noncrystalline phases indicated an increase in the disorder in these systems. PDF analysis of the disordered phases revealed that upon dehydration or quench cooling where the system transformed from crystalline to become disordered, the calcium-calcium and calcium-oxygen (oxygen of the carboxylic acid) distances remained intact meanwhile the rest of the molecule became disordered. The preliminary results from variable-temperature SSNMR showed two different T(1) relaxation time profiles for the amorphous and mesomorphous phases. This was consistent with the hypothesis that part of the molecule remained ordered while the rest of the molecule became disordered and the amorphous

  7. Characterization of Black Carbon Mixing State Field Campaign Report

    Energy Technology Data Exchange (ETDEWEB)

    Sedlacek, A. [Brookhaven National Lab. (BNL), Upton, NY (United States); Davidovits, P. [Boston College, Chestnut Hill, MA (United States); Lewis, E. R. [Brookhaven National Lab. (BNL), Upton, NY (United States); Onasch, T. B. [Aerodyne Research, Billerica, MA (United States)

    2016-04-01

    Interpreting the temporal relationship between the scattering and incandescence signals recorded by the Single Particle Soot Photometer (SP2), Sedlacek et al. (2012) reported that 60% of the refractory black carbon containing particles in a plume containing biomass burning tracers exhibited non-core-shell structure. Because the relationship between the rBC (refractory black carbon) incandescence and the scattering signals had not been reported in the peer-reviewed literature, and to further evaluate the initial interpretation by Sedlacek et al., a series of experiments was undertaken to investigate black carbon-containing particles of known morphology using Regal black (RB), a proxy for collapsed soot, as the light-absorbing substance to characterize this signal relationship. Particles were formed by coagulation of RB with either a solid substance (sodium chloride or ammonium sulfate) or a liquid substance (dioctyl sebacate), and by condensation with dioctyl sebacate, the latter experiment forming particles in a core-shell configuration. Each particle type experienced fragmentation (observed as negative lagtimes), and each yielded similar lagtime responses in some instances, confounding attempts to differentiate particle morphology using current SP2 lagtime analysis. SP2 operating conditions, specifically laser power and sample flow rate, which in turn affect the particle heating and dissipation rates, play an important role in the behavior of particles in the SP2, including probability of fragmentation. This behavior also depended on the morphology of the particles and on the thermochemical properties of the non-RB substance. Although these influences cannot currently be unambiguously separated, the SP2 analysis may still provide useful information on particle mixing states and black carbon particle sources. This work was communicated in a 2015 publication (Sedlacek et al. 2015)

  8. Groundwater quality characterization around Jawaharnagar open dumpsite, Telangana State

    Science.gov (United States)

    Unnisa, Syeda Azeem; Zainab Bi, Shaik

    2017-11-01

    In the present work groundwater samples were collected from ten different data points in and around Jawaharnagar municipal dumpsite, Telangana State Hyderabad city from May 2015 to May 2016 on monthly basis for groundwater quality characterization. Pearson's correlation coefficient ( r) value was determined using correlation matrix to identify the highly correlated and interrelated water quality standards issued by Bureau of Indian Standard (IS-10500:2012). It is found that most of the groundwater samples are above acceptable limits and are not potable. The chemical analysis results revealed that pH range from 7.2 to 7.8, TA 222 to 427 mg/l, TDS 512 to 854 mg/l, TH 420 to 584 mg/l, Calcium 115 to 140 mg/l, Magnesium 55 to 115 mg/l, Chlorides 202 to 290 mg/l, Sulphates 170 to 250 mg/l, Nitrates 6.5 to 11.3 mg/l, and Fluoride 0.9 to 1.7 mg/l. All samples showed higher range of physicochemical parameters except nitrate content which was lower than permissible limit. Highly positive correlation was observed between pH-TH ( r = 0.5063), TA-Cl- ( r = 0.5896), TDS-SO4 - ( r = 0.5125), Mg2+-NO3 - ( r = 0.5543) and Cl--F- ( r = 0.7786). The groundwater samples in and around Jawaharnagar municipal dumpsite implies that groundwater samples were contaminated by municipal leachate migration from open dumpsite. The results revealed that the systematic calculations of correlation coefficient between water parameters and regression analysis provide qualitative and rapid monitoring of groundwater quality.

  9. Partitional clustering algorithms

    CERN Document Server

    2015-01-01

    This book summarizes the state-of-the-art in partitional clustering. Clustering, the unsupervised classification of patterns into groups, is one of the most important tasks in exploratory data analysis. Primary goals of clustering include gaining insight into, classifying, and compressing data. Clustering has a long and rich history that spans a variety of scientific disciplines including anthropology, biology, medicine, psychology, statistics, mathematics, engineering, and computer science. As a result, numerous clustering algorithms have been proposed since the early 1950s. Among these algorithms, partitional (nonhierarchical) ones have found many applications, especially in engineering and computer science. This book provides coverage of consensus clustering, constrained clustering, large scale and/or high dimensional clustering, cluster validity, cluster visualization, and applications of clustering. Examines clustering as it applies to large and/or high-dimensional data sets commonly encountered in reali...

  10. Nonlocalized clustering and evolution of cluster structure in nuclei

    Science.gov (United States)

    Horiuchi, H.

    2017-06-01

    It is shown that the THSR (Tohsaki-Horiuchi-Schuck-Roepke) wave function describe well not only cluster-gas like structures but also ordinary cluster structures with spatial localization of clusters. Based on this fact, the container model has been proposed as a new model of cluster dynamics. For better description of cluster dynamics, extended version of container model has been introduced. The container model of cluster dynamics teaches us how is the evolution of cluster structure which starts from the ground state having shell-model structure to many kinds of cluster states up to the cluster-gas states.

  11. Tailoring Ion Charge State Distribution in Tetramethyltin Clusters under Influence of Moderate Intensity Picosecond Laser Pulse: Role of Laser Wavelength and Rate of Energy Deposition

    Science.gov (United States)

    Sharma, Pramod; Das, Soumitra; Vatsa, Rajesh K.

    2017-07-01

    Systematic manipulation of ionic-outcome in laser-cluster interaction process has been realized for studies carried out on tetramethyltin (TMT) clusters under picosecond laser conditions, determined by choice of laser wavelength and intensity. As a function of laser intensity, TMT clusters exhibit gradual enhancement in overall ionization of its cluster constituents, up to a saturation level of ionization, which was distinct for different wavelengths (266, 355, and 532 nm). Simultaneously, systematic appearance of higher multiply charged atomic ions and shift in relative abundance of multiply charged atomic ions towards higher charge state was observed, using time-of-flight mass spectrometer. At saturation level, multiply charged atomic ions up to (C2+, Sn2+) at 266 nm, (C4+, Sn4+) at 355 nm, and (C4+, Sn6+) at 532 nm were detected. In addition, at 355 nm intra-cluster ion chemistry within the ionized cluster leads to generation of molecular hydrogen ion (H2 +) and triatomic molecular hydrogen ion (H3 +). Generation of multiply charged atomic ions is ascribed to efficient coupling of laser pulse with the cluster media, facilitated by inner-ionized electrons produced within the cluster, at the leading edge of laser pulse. Role of inner-ionized electrons is authenticated by measuring kinetic energy distribution of electrons liberated upon disintegration of excessively ionized cluster, under the influence of picosecond laser pulse.

  12. Direct characterization of states and modes in defect grating structures

    NARCIS (Netherlands)

    van Groesen, Embrecht W.C.; Sopaheluwakan, A.; Andonowati, A.

    2004-01-01

    For one-dimensional optical structures consisting of gratings surrounding a defect region, optical field solutions inside the bandgap are investigated that are steady states or fully transmitted modes. The observation that a mode is a suitable combination of two states, and that each state is a

  13. A quantum secure direct communication protocol based on a five-particle cluster state and classical XOR operation

    International Nuclear Information System (INIS)

    Li Jian; Song Danjie; Guo Xiaojing; Jing Bo

    2012-01-01

    In order to transmit secure messages, a quantum secure direct communication protocol based on a five-particle cluster state and classical XOR operation is presented. The five-particle cluster state is used to detect eavesdroppers, and the classical XOR operation serving as a one-time-pad is used to ensure the security of the protocol. In the security analysis, the entropy theory method is introduced, and three detection strategies are compared quantitatively by using the constraint between the information that the eavesdroppers can obtain and the interference introduced. If the eavesdroppers intend to obtain all the information, the detection rate of the original ping-pong protocol is 50%; the second protocol, using two particles of the Einstein-Podolsky-Rosen pair as detection particles, is also 50%; while the presented protocol is 89%. Finally, the security of the proposed protocol is discussed, and the analysis results indicate that the protocol in this paper is more secure than the other two. (authors)

  14. Clustering social cues to determine social signals: developing learning algorithms using the "n-most likely states" approach

    Science.gov (United States)

    Best, Andrew; Kapalo, Katelynn A.; Warta, Samantha F.; Fiore, Stephen M.

    2016-05-01

    Human-robot teaming largely relies on the ability of machines to respond and relate to human social signals. Prior work in Social Signal Processing has drawn a distinction between social cues (discrete, observable features) and social signals (underlying meaning). For machines to attribute meaning to behavior, they must first understand some probabilistic relationship between the cues presented and the signal conveyed. Using data derived from a study in which participants identified a set of salient social signals in a simulated scenario and indicated the cues related to the perceived signals, we detail a learning algorithm, which clusters social cue observations and defines an "N-Most Likely States" set for each cluster. Since multiple signals may be co-present in a given simulation and a set of social cues often maps to multiple social signals, the "N-Most Likely States" approach provides a dramatic improvement over typical linear classifiers. We find that the target social signal appears in a "3 most-likely signals" set with up to 85% probability. This results in increased speed and accuracy on large amounts of data, which is critical for modeling social cognition mechanisms in robots to facilitate more natural human-robot interaction. These results also demonstrate the utility of such an approach in deployed scenarios where robots need to communicate with human teammates quickly and efficiently. In this paper, we detail our algorithm, comparative results, and offer potential applications for robot social signal detection and machine-aided human social signal detection.

  15. Phosphorescence quantum yield enhanced by intermolecular hydrogen bonds in Cu4I4 clusters in the solid state.

    Science.gov (United States)

    Mazzeo, Paolo P; Maini, Lucia; Petrolati, Alex; Fattori, Valeria; Shankland, Kenneth; Braga, Dario

    2014-07-07

    Organo-copper(i) halide complexes with a Cu4I4 cubane core and cyclic amines as ligands have been synthesized and their crystal structures have been defined. Their solid state photophysical properties have been measured and correlated with the crystal structure and packing. A unique and remarkably high luminescence quantum yield (76%) has been measured for one of the complexes having the cubane clusters arranged in a columnar structure and held together by N-HI hydrogen bonds. This high luminescence quantum yield is correlated with a slow radiationless deactivation rate of the excited state and suggests a rather strong enhancement of the cubane core rigidity bestowed by the hydrogen bond pattern. Some preliminary thin film deposition experiments show that these compounds could be considered to be good candidates for applications in electroluminescent devices because of their bright luminescence, low cost and relatively easy synthesis processes.

  16. Cluster decay of Ba isotopes from ground state and as an excited ...

    Indian Academy of Sciences (India)

    Abstract. The decay properties of various even–even isotopes of barium in the range 112 ≤ A ≤. 122 is studied by modifying the Coulomb and proximity potential model for both the ground and excited state decays, using recent mass tables. Most of the values predicted for ground state decays are within the experimental ...

  17. Cluster decay of 112− 122 Ba isotopes from ground state and as an ...

    Indian Academy of Sciences (India)

    A≤122 is studied by modifying the Coulomb and proximity potential model for both the ground and excited state decays, using recent mass tables. Most of the values predicted for ground state decays are within the experimental limit for ...

  18. Ground-state characterizations of systems predicted to exhibit L11 or L13 crystal structures

    Science.gov (United States)

    Nelson, Lance J.; Hart, Gus L. W.; Curtarolo, Stefano

    2012-02-01

    Despite their geometric simplicity, the crystal structures L11 (CuPt) and L13 (CdPt3) do not appear as ground states experimentally, except in Cu-Pt. We investigate the possibility that these phases are ground states in other binary intermetallic systems, but overlooked experimentally. Via the synergy between high-throughput and cluster-expansion computational methods, we conduct a thorough search for systems that may exhibit these phases and calculate order-disorder transition temperatures when they are predicted. High-throughput calculations predict L11 ground states in the systems Ag-Pd, Ag-Pt, Cu-Pt, Pd-Pt, Li-Pd, Li-Pt, and L13 ground states in the systems Cd-Pt, Cu-Pt, Pd-Pt, Li-Pd, Li-Pt. Cluster expansions confirm the appearance of these ground states in some cases. In the other cases, cluster expansion predicts unsuspected derivative superstructures as ground states. The order-disorder transition temperatures for all L11/L13 ground states were found to be sufficiently high that their physical manifestation may be possible.

  19. Detection and characterization of the fimbrial sfp cluster in enterohemorrhagic Escherichia coli O165:H25/NM isolates from humans and cattle.

    Science.gov (United States)

    Bielaszewska, Martina; Prager, Rita; Vandivinit, Liz; Müsken, Anne; Mellmann, Alexander; Holt, Nicholas J; Tarr, Phillip I; Karch, Helge; Zhang, Wenlan

    2009-01-01

    The sfp cluster, encoding Sfp fimbriae and located in the large plasmid of sorbitol-fermenting (SF) enterohemorrhagic Escherichia coli (EHEC) O157 (pSFO157), has been considered a unique characteristic of this organism. We discovered and then characterized the sfp cluster in EHEC O165:H25/NM (nonmotile) isolates of human and bovine origin. All seven strains investigated harbored a complete sfp cluster (carrying sfpA, sfpH, sfpC, sfpD, sfpJ, sfpF, and sfpG) of 6,838 bp with >99% nucleotide sequence homology to the sfp cluster of SF EHEC O157:NM. The sfp cluster in EHEC O165:H25/NM strains was located in an approximately 80-kb (six strains) or approximately 120-kb (one strain) plasmid which differed in structure, virulence genes, and sfp flanks from pSFO157. All O165:H25/NM strains belonged to the same multilocus sequence type (ST119) and were only distantly phylogenetically related to SF EHEC O157:NM (ST11). The highly conserved sfp cluster in different clonal backgrounds suggests that this segment was acquired independently by EHEC O165:H25 and SF EHEC O157:NM. Its presence in an additional EHEC serotype extends the diagnostic utility of PCR targeting sfpA as an easy and efficient approach to seek EHEC in patients' stools. The reasons for the convergence of pathogenic EHEC strains on a suite of virulence loci remain unknown.

  20. Cluster Headache Clinical Phenotypes: Tobacco Nonexposed (Never Smoker and No Parental Secondary Smoke Exposure as a Child) versus Tobacco-Exposed: Results from the United States Cluster Headache Survey.

    Science.gov (United States)

    Rozen, Todd D

    2018-03-14

    To present results from the United States Cluster Headache Survey comparing the clinical presentation of tobacco nonexposed and tobacco-exposed cluster headache patients. Cluster headache is uniquely tied to a personal history of tobacco usage/cigarette smoking and, if the individual cluster headache sufferer did not smoke, it has been shown that their parent(s) typically did and that individual had significant secondary smoke exposure as a child. The true nontobacco exposed (no personal or secondary exposure) cluster headache sufferer has never been fully studied. The United States Cluster Headache Survey consisted of 187 multiple choice questions related to cluster headache including: patient demographics, clinical headache characteristics, family history, triggers, smoking history (personal and secondary), and headache-related disability. The survey was placed on a website from October through December 2008. One thousand one hundred thirty-four individuals completed the survey. One hundred thirty-three subjects or 12% of the surveyed population had no personal smoking/tobacco use history and no secondary smoke exposure as an infant/child, thus a nontobacco exposed population. In the nonexposed population, there were 87 males and 46 females with a gender ratio of 1.9:1. Episodic cluster headache occurred in 80% of nonexposed subjects. One thousand and one survey responders or 88% were tobacco-exposed (729 males and 272 females) with a gender ratio of 2.7:1. Eighty-three percent had a personal smoking history, while only 17% just had parents who smoked with secondary smoke exposure. Eighty-five percent of smokers had double exposure with a personal smoking history and secondary exposure as a child. Nonexposed cluster headache subjects are significantly more likely to develop cluster headache at ages 40 years and younger, while the exposed sufferers are significantly more likely to develop cluster headache at 40 years of age and older. Nonexposed patients have a

  1. The incidence risk, clustering, and clinical presentation of La Crosse virus infections in the eastern United States, 2003-2007.

    Directory of Open Access Journals (Sweden)

    Andrew D Haddow

    Full Text Available BACKGROUND: Although La Crosse virus (LACV is one of the most common causes of pediatric arboviral infections in the United States, little has been done to assess its geographic distribution, identify areas of higher risk of disease, and to provide a national picture of its clinical presentation. Therefore, the objective of this study was to investigate the geographic distribution of LACV infections reported in the United States, to identify hot-spots of infection, and to present its clinical picture. METHODS AND FINDINGS: Descriptive and cluster analyses were performed on probable and confirmed cases of LACV infections reported to the Centers for Disease Control and Prevention from 2003-2007. A total of 282 patients had reported confirmed LACV infections during the study period. Of these cases the majority (81 percent presented during the summer, occurred in children 15 years and younger (83.3 percent, and were found in male children (64.9 percent. Clinically, the infections presented as meningioencephalitis (56.3 percent, encephalitis (20.7 percent, meningitis (17.2 percent, or uncomplicated fever (5 percent. Deaths occurred in 1.9 percent of confirmed cases, and in 8.6 percent of patients suffering from encephalitis. The majority of these deaths were in patients 15 years and younger. The county-level incidence risk among counties (n = 136 reporting both probable and confirmed cases for children 15 years and younger (n = 355 ranged from 0.2 to 228.7 per 100,000 persons. The southern United States experienced a significantly higher (p<0.05 incidence risk during the months of June, July, August, and October then the northern United States. There was significant (p<0.05 clustering of high risk in several geographic regions with three deaths attributed to complications from LAC encephalitis occurring in two of these hot-spots of infections. CONCLUSIONS: Both the incidence risk and case fatality rates were found to be higher than previously

  2. A theoretical study on the geometry and spectroscopic properties of ground-state and local minima isomers of (CuS)n=2-6 clusters

    Science.gov (United States)

    Luque-Ceballos, Jonathan C.; Posada-Borbón, Alvaro; Herrera-Urbina, Ronaldo; Aceves, R.; Juárez-Sánchez, J. Octavio; Posada-Amarillas, Alvaro

    2018-03-01

    Spectroscopic properties of gas-phase copper sulfide clusters (CuS)n (n = 2-6) are calculated using Density Functional Theory (DFT) and time-dependent (TD) DFT approaches. The energy landscape of the potential energy surface is explored through a basin-hopping DFT methodology. Ground-state and low-lying isomer structures are obtained. The global search was performed at the B3PW91/SDD level of theory. Normal modes are calculated to validate the existence of optimal cluster structures. Energetic properties are obtained for the ground-state and isomer clusters and their relative energies are evaluated for probing isomerization. This is a few tenths of an eV, except for (CuS)2 cluster, which presents energy differences of ∼1 eV. Notable differences in the infrared spectra exist between the ground-state and first isomer structures, even for the (CuS)5 cluster, which has in both configurations a core copper pyramid. TDDFT provides the simulated absorption spectrum, presenting a theoretical description of optical absorption bands in terms of electronic excitations in the UV and visible regions. Results exhibit a significant dependence of the calculated UV/vis spectra on clusters size and shape regarding the ground state structures. Optical absorption is strong in the UV region, and weak or forbidden in the visible region of the spectrum.

  3. Recent Transmission Clustering of HIV-1 C and CRF17_BF Strains Characterized by NNRTI-Related Mutations among Newly Diagnosed Men in Central Italy.

    Science.gov (United States)

    Fabeni, Lavinia; Alteri, Claudia; Orchi, Nicoletta; Gori, Caterina; Bertoli, Ada; Forbici, Federica; Montella, Francesco; Pennica, Alfredo; De Carli, Gabriella; Giuliani, Massimo; Continenza, Fabio; Pinnetti, Carmela; Nicastri, Emanuele; Ceccherini-Silberstein, Francesca; Mastroianni, Claudio Maria; Girardi, Enrico; Andreoni, Massimo; Antinori, Andrea; Santoro, Maria Mercedes; Perno, Carlo Federico

    2015-01-01

    Increased evidence of relevant HIV-1 epidemic transmission in European countries is being reported, with an increased circulation of non-B-subtypes. Here, we present two recent HIV-1 non-B transmission clusters characterized by NNRTI-related amino-acidic mutations among newly diagnosed HIV-1 infected men, living in Rome (Central-Italy). Pol and V3 sequences were available at the time of diagnosis for all individuals. Maximum-Likelihood and Bayesian phylogenetic-trees with bootstrap and Bayesian-probability supports defined transmission-clusters. HIV-1 drug-resistance and V3-tropism were also evaluated. Among 534 new HIV-1 non-B cases, diagnosed from 2011 to 2014, in Central-Italy, 35 carried virus gathering in two distinct clusters, including 27 HIV-1 C and 8 CRF17_BF subtypes, respectively. Both clusters were centralized in Rome, and their origin was estimated to have been after 2007. All individuals within both clusters were males and 37.1% of them had been recently-infected. While C-cluster was entirely composed by Italian men-who-have-sex-with-men, with a median-age of 34 years (IQR:30-39), individuals in CRF17_BF-cluster were older, with a median-age of 51 years (IQR:48-59) and almost all reported sexual-contacts with men and women. All carried R5-tropic viruses, with evidence of atypical or resistance amino-acidic mutations related to NNRTI-drugs (K103Q in C-cluster, and K101E+E138K in CRF17_BF-cluster). These two epidemiological clusters provided evidence of a strong and recent circulation of C and CRF17_BF strains in central Italy, characterized by NNRTI-related mutations among men engaging in high-risk behaviours. These findings underline the role of molecular epidemiology in identifying groups at increased risk of HIV-1 transmission, and in enhancing additional prevention efforts.

  4. Recent Transmission Clustering of HIV-1 C and CRF17_BF Strains Characterized by NNRTI-Related Mutations among Newly Diagnosed Men in Central Italy.

    Directory of Open Access Journals (Sweden)

    Lavinia Fabeni

    Full Text Available Increased evidence of relevant HIV-1 epidemic transmission in European countries is being reported, with an increased circulation of non-B-subtypes. Here, we present two recent HIV-1 non-B transmission clusters characterized by NNRTI-related amino-acidic mutations among newly diagnosed HIV-1 infected men, living in Rome (Central-Italy.Pol and V3 sequences were available at the time of diagnosis for all individuals. Maximum-Likelihood and Bayesian phylogenetic-trees with bootstrap and Bayesian-probability supports defined transmission-clusters. HIV-1 drug-resistance and V3-tropism were also evaluated.Among 534 new HIV-1 non-B cases, diagnosed from 2011 to 2014, in Central-Italy, 35 carried virus gathering in two distinct clusters, including 27 HIV-1 C and 8 CRF17_BF subtypes, respectively. Both clusters were centralized in Rome, and their origin was estimated to have been after 2007. All individuals within both clusters were males and 37.1% of them had been recently-infected. While C-cluster was entirely composed by Italian men-who-have-sex-with-men, with a median-age of 34 years (IQR:30-39, individuals in CRF17_BF-cluster were older, with a median-age of 51 years (IQR:48-59 and almost all reported sexual-contacts with men and women. All carried R5-tropic viruses, with evidence of atypical or resistance amino-acidic mutations related to NNRTI-drugs (K103Q in C-cluster, and K101E+E138K in CRF17_BF-cluster.These two epidemiological clusters provided evidence of a strong and recent circulation of C and CRF17_BF strains in central Italy, characterized by NNRTI-related mutations among men engaging in high-risk behaviours. These findings underline the role of molecular epidemiology in identifying groups at increased risk of HIV-1 transmission, and in enhancing additional prevention efforts.

  5. Spectroscopic and functional characterization of iron-sulfur cluster-bound forms of Azotobacter vinelandii (Nif)IscA.

    Science.gov (United States)

    Mapolelo, Daphne T; Zhang, Bo; Naik, Sunil G; Huynh, Boi Hanh; Johnson, Michael K

    2012-10-16

    The mechanism of [4Fe-4S] cluster assembly on A-type Fe-S cluster assembly proteins, in general, and the specific role of (Nif)IscA in the maturation of nitrogen fixation proteins are currently unknown. To address these questions, in vitro spectroscopic studies (UV-visible absorption/CD, resonance Raman and Mössbauer) have been used to investigate the mechanism of [4Fe-4S] cluster assembly on Azotobacter vinelandii(Nif)IscA, and the ability of (Nif)IscA to accept clusters from NifU and to donate clusters to the apo form of the nitrogenase Fe-protein. The results show that (Nif)IscA can rapidly and reversibly cycle between forms containing one [2Fe-2S](2+) and one [4Fe-4S](2+) cluster per homodimer via DTT-induced two-electron reductive coupling of two [2Fe-2S](2+) clusters and O(2)-induced [4Fe-4S](2+) oxidative cleavage. This unique type of cluster interconversion in response to cellular redox status and oxygen levels is likely to be important for the specific role of A-type proteins in the maturation of [4Fe-4S] cluster-containing proteins under aerobic growth or oxidative stress conditions. Only the [4Fe-4S](2+)-(Nif)IscA was competent for rapid activation of apo-nitrogenase Fe protein under anaerobic conditions. Apo-(Nif)IscA was shown to accept clusters from [4Fe-4S] cluster-bound NifU via rapid intact cluster transfer, indicating a potential role as a cluster carrier for delivery of clusters assembled on NifU. Overall the results support the proposal that A-type proteins can function as carrier proteins for clusters assembled on U-type proteins and suggest that they are likely to supply [2Fe-2S] clusters rather than [4Fe-4S] for the maturation of [4Fe-4S] cluster-containing proteins under aerobic or oxidative stress growth conditions.

  6. Characterizing the sustainable forestry issue network in thc United States

    Science.gov (United States)

    Steverson O. Moffat; Frederick W. Cubbage; Thomas P. Holmes; Elizabethann O' Sullivan

    2001-01-01

    Issue network analysis techniques were applied to the issue sustainable forestry in the United States to identify potential public and private outcomes for the issue. A quantitative approach based on work by Laumann and Knoke [(The Organizational State (1987)] was utilized in conjunction with the Delphi method. Results suggest that the parity in the distribution of...

  7. Cladding development and characterization in the United States

    International Nuclear Information System (INIS)

    Lobsinger, R.J.

    1977-01-01

    During the past decade, an extensive program of cladding development has been carried out at HEDL in support of the FFTF/Breeder Reactor Program. This activity has resulted in the establishment of specification, fabrication, and characterization requirements for breeder reactor fuel cladding. In establishing these requirements, input has been derived from vendor development programs, evaluation studies, and reviews with other national laboratories. The major fabrication requirements of the current specification as derived from the development program and the testing required to assure product conformance and characterize cladding behavior are described

  8. Anionic halide···alcohol clusters in the solid state.

    Science.gov (United States)

    Gushchin, Pavel V; Kuznetsov, Maxim L; Haukka, Matti; Kukushkin, Vadim Yu

    2014-10-09

    The cationic (1,3,5-triazapentadiene)Pt(II) complexes [1](Cl)2, [2](Cl)2, [3](Br)2, and [4](Cl)2, were crystallized from ROH-containing systems (R = Me, Et) providing alcohol solvates studied by X-ray diffraction. In the crystal structures of [1-4][(Hal)2(ROH)2] (R = Me, Et), the Hal(-) ion interacts with two or three cations [1-4](2+) by means of two or three or four contacts thus uniting stacked arrays of complexes into the layers. The solvated MeOH or EtOH molecules occupy vacant space, giving contacts with [1-4](2+), and connects to the Hal(-) ion through a hydrogen bridge via the H(1O)O(1S) H atom forming, by means of the Hal(-)···HOR (Hal = Cl, Br) contact, the halide-alcohol cluster. Properties of the Cl(-)···HO(Me) H-bond in [1][(Cl)2(MeOH)2] were analyzed using theoretical DFT methods.

  9. Cluster formation and the virial equation of state of low-density nuclear matter

    International Nuclear Information System (INIS)

    Horowitz, C.J.; Schwenk, A.

    2006-01-01

    We present the virial equation of state of low-density nuclear matter composed of neutrons, protons and alpha particles. The virial equation of state is model-independent, and therefore sets a benchmark for all nuclear equations of state at low densities. We calculate the second virial coefficients for nucleon-nucleon, nucleon-alpha and alpha-alpha interactions directly from the relevant binding energies and scattering phase shifts. The virial approach systematically takes into account contributions from bound nuclei and the resonant continuum, and consequently provides a framework to include strong-interaction corrections to nuclear statistical equilibrium models. The virial coefficients are used to make model-independent predictions for a variety of properties of nuclear matter over a range of densities, temperatures and compositions. Our results provide constraints on the physics of the neutrinosphere in supernovae. The resulting alpha particle concentration differs from all equations of state currently used in supernova simulations. Finally, the virial equation of state greatly improves our conceptual understanding of low-density nuclear matter

  10. Toward enabling large-scale open-shell equation-of-motion coupled cluster calculations: triplet states of β-carotene

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Hanshi; Bhaskaran-Nair, Kiran; Apra, Edoardo; Govind, Niranjan; Kowalski, Karol

    2014-10-02

    In this paper we discuss the application of novel parallel implementation of the coupled cluster (CC) and equation-of-motion coupled cluster methods (EOMCC) in calculations of excitation energies of triplet states in beta-carotene. Calculated excitation energies are compared with experimental data, where available. We also provide a detailed description of the new parallel algorithms for iterative CC and EOMCC models involving single and doubles excitations.

  11. Characterization of the aldo-keto reductase 1C gene cluster on pig chromosome 10: possible associations with reproductive traits

    Directory of Open Access Journals (Sweden)

    Nonneman Dan J

    2006-09-01

    Full Text Available Abstract Background The rate of pubertal development and weaning to estrus interval are correlated and affect reproductive efficiency of swine. Quantitative trait loci (QTL for age of puberty, nipple number and ovulation rate have been identified in Meishan crosses on pig chromosome 10q (SSC10 near the telomere, which is homologous to human chromosome 10p15 and contains an aldo-keto reductase (AKR gene cluster with at least six family members. AKRs are tissue-specific hydroxysteroid dehydrogenases that interconvert weak steroid hormones to their more potent counterparts and regulate processes involved in development, homeostasis and reproduction. Because of their location in the swine genome and their implication in reproductive physiology, this gene cluster was characterized and evaluated for effects on reproductive traits in swine. Results Screening the porcine CHORI-242 BAC library with a full-length AKR1C4 cDNA identified 7 positive clones and sample sequencing of 5 BAC clones revealed 5 distinct AKR1C genes (AKR1CL2 and AKR1C1 through 4, which mapped to 126–128 cM on SSC10. Using the IMpRH7000rad and IMNpRH212000rad radiation hybrid panels, these 5 genes mapped between microsatellite markers SWR67 and SW2067. Comparison of sequence data with the porcine BAC fingerprint map show that the cluster of genes resides in a 300 kb region. Twelve SNPs were genotyped in gilts observed for age at first estrus and ovulation rate from the F8 and F10 generations of one-quarter Meishan descendants of the USMARC resource population. Age at puberty, nipple number and ovulation rate data were analyzed for association with genotypes by MTDFREML using an animal model. One SNP, a phenylalanine to isoleucine substitution in AKR1C2, was associated with age of puberty (p = 0.07 and possibly ovulation rate (p = 0.102. Two SNP in AKR1C4 were significantly associated with nipple number (p ≤ 0.03 and another possibly associated with age at puberty (p = 0

  12. Genetic analysis of Israel Acute Paralysis Virus: distinct clusters are circulating into the United States.

    Science.gov (United States)

    Israel acute paralysis virus (IAPV) is associated with colony collapse disorder of honey bees. Nonetheless, its role in the pathogenesis of the disorder and its geographic distribution are unclear. Here, we report phylogenetic analysis of IAPV obtained from bees in the United States, Canada, Austral...

  13. Equational characterization for two-valued states in orthomodular quantum systems

    Science.gov (United States)

    Domenech, G.; Freytes, H.; de Ronde, C.

    In this paper we develop an algebraic framework in which several classes of two-valued states over orthomodular lattices may be equationally characterized. The class of two-valued states and the subclass of Jauch-Piron two-valued states are among the classes which we study.

  14. Spectroscopic characterization of galaxy clusters in RCS-1: spectroscopic confirmation, redshift accuracy, and dynamical mass-richness relation

    Science.gov (United States)

    Gilbank, David G.; Barrientos, L. Felipe; Ellingson, Erica; Blindert, Kris; Yee, H. K. C.; Anguita, T.; Gladders, M. D.; Hall, P. B.; Hertling, G.; Infante, L.; Yan, R.; Carrasco, M.; Garcia-Vergara, Cristina; Dawson, K. S.; Lidman, C.; Morokuma, T.

    2018-05-01

    We present follow-up spectroscopic observations of galaxy clusters from the first Red-sequence Cluster Survey (RCS-1). This work focuses on two samples, a lower redshift sample of ˜30 clusters ranging in redshift from z ˜ 0.2-0.6 observed with multiobject spectroscopy (MOS) on 4-6.5-m class telescopes and a z ˜ 1 sample of ˜10 clusters 8-m class telescope observations. We examine the detection efficiency and redshift accuracy of the now widely used red-sequence technique for selecting clusters via overdensities of red-sequence galaxies. Using both these data and extended samples including previously published RCS-1 spectroscopy and spectroscopic redshifts from SDSS, we find that the red-sequence redshift using simple two-filter cluster photometric redshifts is accurate to σz ≈ 0.035(1 + z) in RCS-1. This accuracy can potentially be improved with better survey photometric calibration. For the lower redshift sample, ˜5 per cent of clusters show some (minor) contamination from secondary systems with the same red-sequence intruding into the measurement aperture of the original cluster. At z ˜ 1, the rate rises to ˜20 per cent. Approximately ten per cent of projections are expected to be serious, where the two components contribute significant numbers of their red-sequence galaxies to another cluster. Finally, we present a preliminary study of the mass-richness calibration using velocity dispersions to probe the dynamical masses of the clusters. We find a relation broadly consistent with that seen in the local universe from the WINGS sample at z ˜ 0.05.

  15. Azide groups in higher oxidation state manganese cluster chemistry: from structural aesthetics to single-molecule magnets.

    Science.gov (United States)

    Stamatatos, Theocharis C; Christou, George

    2009-04-20

    This Forum Article overviews the recent amalgamation of two long-established areas, manganese/oxo coordination cluster chemistry involving the higher Mn(II)/Mn(IV) oxidation states and transition-metal azide (N(3)(-)) chemistry. The combination of azide and alkoxide- or carboxylate-containing ligands in Mn chemistry has led to a variety of new polynuclear clusters, high-spin molecules, and single-molecule magnets, with metal nuclearities ranging from Mn(4) to Mn(32) and with ground-state spin values as large as S = 83/2. The organic bridging/chelating ligands are discussed separately as follows: (i) pyridyl alkoxides [the anions of 2-(hydroxymethyl)pyridine (hmpH), 2,6-pyridinedimethanol (pdmH(2)), and the gem-diol form of di-2-pyridyl ketone (dpkdH(2))]; (ii) non-pyridyl alkoxides [the anions of 1,1,1-tris(hydroxymethyl)ethane (thmeH(3)), triethanolamine (teaH(3)), and N-methyldiethanolamine (mdaH(2))]; (iii) other alcohols [the anions of 2,6-dihydroxymethyl-4-methylphenol (LH(3)) and Schiff bases]; (iv) pyridyl monoximes/dioximes [the anions of methyl-2-pyridyl ketone oxime (mpkoH), phenyl-2-pyridyl ketone oxime (ppkoH), and 2,6-diacetylpyridine dioxime (dapdoH(2))]; (v) non-pyridyl oximes [the anions of salicylaldoxime (saoH(2)) and its derivatives R-saoH(2)]. The large structural diversity of the resulting complexes stems from the combined ability of the azide and organic ligands to adopt a variety of ligation and bridging modes. The combined work demonstrates the synthetic novelty that arises when azide is used in conjunction with alcohol-based chelates, the aesthetic beauty of the resulting molecules, and the often fascinating magnetic properties that these compounds possess. This continues to emphasize the extensive and remarkable ability of Mn chemistry to satisfy a variety of different tastes.

  16. Health and human rights in Chin State, Western Burma: a population-based assessment using multistaged household cluster sampling.

    Science.gov (United States)

    Sollom, Richard; Richards, Adam K; Parmar, Parveen; Mullany, Luke C; Lian, Salai Bawi; Iacopino, Vincent; Beyrer, Chris

    2011-02-08

    The Chin State of Burma (also known as Myanmar) is an isolated ethnic minority area with poor health outcomes and reports of food insecurity and human rights violations. We report on a population-based assessment of health and human rights in Chin State. We sought to quantify reported human rights violations in Chin State and associations between these reported violations and health status at the household level. Multistaged household cluster sampling was done. Heads of household were interviewed on demographics, access to health care, health status, food insecurity, forced displacement, forced labor, and other human rights violations during the preceding 12 months. Ratios of the prevalence of household hunger comparing exposed and unexposed to each reported violation were estimated using binomial regression, and 95% confidence intervals (CIs) were constructed. Multivariate models were done to adjust for possible confounders. Overall, 91.9% of households (95% CI 89.7%-94.1%) reported forced labor in the past 12 months. Forty-three percent of households met FANTA-2 (Food and Nutrition Technical Assistance II project) definitions for moderate to severe household hunger. Common violations reported were food theft, livestock theft or killing, forced displacement, beatings and torture, detentions, disappearances, and religious and ethnic persecution. Self reporting of multiple rights abuses was independently associated with household hunger. Our findings indicate widespread self-reports of human rights violations. The nature and extent of these violations may warrant investigation by the United Nations or International Criminal Court. Please see later in the article for the Editors' Summary.

  17. Solid State Synthesis and Characterization of Carbo-Nitride Materials

    National Research Council Canada - National Science Library

    Khabashesku, Valery

    2000-01-01

    The preparation of stoichiometric sp(sup 2)-bonded amorphous carbon nitride a-C3N4 in gram quantities was successfully achieved by performing a solid-state reaction of cyanuric halides C3N3X3 (X=Cl, F...

  18. Characterization of wetland soils of Zarama, Bayelsa state, Nigeria ...

    African Journals Online (AJOL)

    This study investigated the soil properties of Zarama, Bayelsa state, Nigeria in relation to iron (Fe) and manganese (Mn) distribution, between October and December, 2005. Four soil profile pits representing varying creek water influences were studied. The soils have acquic moisture and isohyperthermic temperature ...

  19. Characterizing the nonclassicality of mesoscopic optical twin-beam states

    Czech Academy of Sciences Publication Activity Database

    Allevi, A.; Lamperti, M.; Bondani, M.; Peřina ml., Jan; Michálek, Václav; Haderka, O.; Machulka, R.

    2013-01-01

    Roč. 88, č. 6 (2013), "063807-1"-"063807-9" ISSN 1050-2947 R&D Projects: GA ČR GAP205/12/0382 Institutional support: RVO:68378271 Keywords : mesoscopic optical twin-beam states * photon-number domain Subject RIV: BH - Optics, Masers, Lasers Impact factor: 2.991, year: 2013

  20. Optical Characterization of Deep-Space Object Rotation States

    Science.gov (United States)

    2014-09-01

    between the satellite and observer for thermal emission measurements). When detected with sufficient accuracy, such synodic frequency variations can...the satellite and observer for thermal emission measurements). When detected with sufficient accuracy, such synodic frequency variations can be... CubeSats , cylinders for rocket-bodies, etc.). 5.4 Rotation State Estimation for Nearly Cylindrical Objects Some satellites can be approximated

  1. Management of cluster headache

    DEFF Research Database (Denmark)

    Tfelt-Hansen, Peer C; Jensen, Rigmor H

    2012-01-01

    The prevalence of cluster headache is 0.1% and cluster headache is often not diagnosed or misdiagnosed as migraine or sinusitis. In cluster headache there is often a considerable diagnostic delay - an average of 7 years in a population-based survey. Cluster headache is characterized by very severe...... or severe orbital or periorbital pain with a duration of 15-180 minutes. The cluster headache attacks are accompanied by characteristic associated unilateral symptoms such as tearing, nasal congestion and/or rhinorrhoea, eyelid oedema, miosis and/or ptosis. In addition, there is a sense of restlessness...... and agitation. Patients may have up to eight attacks per day. Episodic cluster headache (ECH) occurs in clusters of weeks to months duration, whereas chronic cluster headache (CCH) attacks occur for more than 1 year without remissions. Management of cluster headache is divided into acute attack treatment...

  2. Characterization of [4Fe-4S] Cluster Vibrations and Structure in Nitrogenase Fe Protein at Three Oxidation Levels via Combined NRVS, EXAFS and DFT Analyses

    Science.gov (United States)

    Mitra, Devrani; George, Simon J.; Guo, Yisong; Kamali, Saeed; Keable, Stephen; Peters, John W.; Pelmenschikov, Vladimir; Case, David A.; Cramer, Stephen P.

    2013-01-01

    Azotobacter vinelandii nitrogenase Fe protein (Av2) provides a rare opportunity to investigate a [4Fe-4S] cluster at three oxidation levels in the same protein environment. Here, we report the structural and vibrational changes of this cluster upon reduction using a combination of NRVS and EXAFS spectroscopies and DFT calculations. Key to this work is the synergy between these three techniques as each generates highly complementary information and their analytical methodologies are interdependent. Importantly, the spectroscopic samples contained no glassing agents. NRVS and DFT reveal a systematic 10-30 cm−1 decrease in Fe-S stretching frequencies with each added electron. The “oxidized” [4Fe-4S]2+ state spectrum is consistent with and extends previous resonance Raman spectra. For the “reduced” [4Fe-4S]1+ state in Fe protein, and for any “all-ferrous” [4Fe-4S]0 cluster, these NRVS spectra are the first available vibrational data. NRVS simulations also allow estimation of the vibrational disorder for Fe-S and Fe-Fe distances, constraining the EXAFS analysis and allowing structural disorder to be estimated. For oxidized Av2, EXAFS and DFT indicate nearly equal Fe-Fe distances, while addition of one electron decreases the cluster symmetry. However, addition of the second electron to form the all-ferrous state induces significant structural change. EXAFS data recorded to k = 21 Å−1 indicates a 1:1 ratio of Fe-Fe interactions at 2.56 Å and 2.75 Å, a result consistent with DFT. Broken symmetry (BS) DFT rationalizes the interplay between redox state and the Fe-S and Fe-Fe distances as predominantly spin-dependent behavior inherent to the [4Fe-4S] cluster and perturbed by the Av2 protein environment. PMID:23282058

  3. Multielemental characterization of sediments from rivers and reservoirs of a sediment quality monitoring network of Sao Paulo state, Brazil

    International Nuclear Information System (INIS)

    Soares, Walace A.A.; Quinaglia, Gilson A.; Favaro, Deborah I.T.

    2013-01-01

    The Environment Company of the State of Sao Paulo (CETESB) by means of its quality monitoring network does, systematically, the assessment of water and sediment quality in rivers and reservoirs in the Sao Paulo state. The quality evaluation is done by means 50 parameters in water and 63 for sediment that are considered the more representative for CETESB monitoring. In 2011 the network monitoring analyzed 420 points being 24 in sediments. In the present study the multielemental characterization (total concentration) of 13 sediment samples from 24 rivers and reservoirs belonging to the CETESB monitoring network were analyzed by instrumental neutron activation analysis (INAA). The analytical validation according to precision and accuracy was checked through certified reference materials analyzes BEN (Basalt-IWG-GIT), SL-1 (Lake Sediment - IAEA) and Soil-5 (IAEA), that presents certified concentration values for all elements analyzed. The results obtained for multielemental characterization were compared to NASC values (North American Shale Composite) and the enrichment factor (EF) by using Sc as a normalizer element was calculated. The results showed higher enrichment values for As, Br, Cr, Hf, Ta, Th , U and Zn and rare earth elements (REE) Ce, Eu, La, Nd, Sm, Tb and Yb in many of the tested sediment samples indicating that there may be an anthropogenic contribution for these elements. The multielemental results were also compared to the granulometric composition of the sediment samples. Factorial and Cluster Analysis were applied and indicated that the elements distribution is controlled, mainly by the granulometric fractions of the sediments. (author)

  4. Application of the uncoupled state-specific multireference coupled cluster method to a weakly bonded system: exploring the ground state Be2

    International Nuclear Information System (INIS)

    Mahapatra, Uttam Sinha; Chattopadhyay, Sudip

    2011-01-01

    Recently, Mukherjee and co-workers (2008 Chem. Phys. 349, 115) have proposed the uncoupled state-specific multireference coupled cluster approach (UC-SSMRCC), attuned particularly for the multireference systems to provide a relaxed description of the nondynamical correlation (stemming from quasidegeneracy) in the presence of dynamical correlation. By invoking an analogue of the anonymous parentage approximation in the coupling terms of the state-specific multireference coupled cluster (SS-MRCC) theory one obtains the UC-SSMRCC method without significantly sacrificing the accuracy and simultaneously retains all the key features of the parent theory. For this very reason the UC-SSMRCC calculations using large basis sets are computationally more feasible even with the inclusion of connected triples than the parent one. As far as our knowledge is concerned, no application of either the parent SS-MRCC or UC-SSMRCC has been reported in weakly bound systems to date. Hence, we have performed a UC-SSMRCC study of a weakly bound dimer (say X 1 Σ + Be 2 ) by the singles-, doubles-, triples-1a (SDT-1a) level of approximation. Because of the strong near-degeneracy of 2s and 2p atomic orbitals, X 1 Σ + Be 2 is a very suitable benchmark problem for quantum chemistry and a critical test for new theoretical methods and procedures. This study reveals that the quality of the description of X 1 Σ + Be 2 critically depends on the level of truncation of the cluster operators (and also on the choice of basis set) and on a delicately poised treatment of dynamic and nondynamic correlation effects. Our computed spectroscopic constants are in acceptably good agreement with other previously reported current generation correlation recovery theoretical estimates, indicating that the UC-SSMRCC method with SDT-1a is capable of achieving a qualitatively correct description of the X 1 Σ + Be 2 energy surface even with the smallest reference space. The UC-SSMRCC scheme is also capable of

  5. An Approach to Cluster EU Member States into Groups According to Pathways of Salmonella in the Farm‐to‐Consumption Chain for Pork Products

    DEFF Research Database (Denmark)

    Vigre, Håkan; Coutinho Calado Domingues, Ana Rita; Pedersen, Ulrik Bo

    2016-01-01

    The aim of the project as the cluster analysis was to in part to develop a generic structured quantitative microbiological risk assessment (QMRA) model of human salmonellosis due to pork consumption in EU member states (MSs), and the objective of the cluster analysis was to group the EU MSs...... according to the relative contribution of different pathways of Salmonella in the farm‐to‐consumption chain of pork products. In the development of the model, by selecting a case study MS from each cluster the model was developed to represent different aspects of pig production, pork production...... production and consumption in each country. Based on MS‐specific information about distribution of (i) small and large farms, (ii) small and large slaughterhouses, (iii) amount of pork meat consumed, and (iv) amount of sausages consumed we used nonhierarchical and hierarchical cluster analysis to group...

  6. Preparation and characterization of solid-state sintered aluminum ...

    Indian Academy of Sciences (India)

    Aluminum-doped zinc oxide (AZO) ceramics with 0−2.5 wt.% alumina (Al2O3) content were prepared using a solid-state reaction technique. It was found that AZO grains became finer in size and more irregular in shape than undoped ZnO as the Al2O3 content increased. Addition of Al2O3 dopant caused the formation of ...

  7. Solid-state characterization of the HIV protease inhibitor

    CERN Document Server

    Kim, Y A

    2002-01-01

    The LB71350, (3S, 4R)-Epoxy-(5S)-[[N-(1-methylethoxy) carbonyl]-3-(methylsulfonyl)-L-valinyl]amin= o]-N-[2-methyl-(1R)-[(phenyl)carbonyl]propyl-6-phenylhexanamide, is a novel HIV protease inhibitor. Its equilibrium solubility at room temperature was less than 40 mu g/mL. It was speculated that the low aqueous solubility might be due to the high crystalline lattice energy resulting from intermolecular hydrogen bonds. The present study was carried out to learn the solid-state characteristics of LB71350 using analytical methods such as NMR, FT-IR and XRD. sup 1 sup 3 C Solid-state NMR, solution NMR, and FT-IR spectra of the various solid forms of LB71350 were used to identify the conformation and structure of the solid forms. The chemical shifts of sup 1 sup 3 C solid-state NMR spectra suggest that the crystalline form might have 3 intermolecular hydrogen bondings between monomers.

  8. Electrochemical characterization of GaN surface states

    Science.gov (United States)

    Winnerl, Andrea; Garrido, Jose A.; Stutzmann, Martin

    2017-07-01

    In this work, we present a systematic study of the electrochemical properties of metal-organic chemical vapor deposition and hybrid vapor phase epitaxy grown n-type GaN in aqueous electrolytes. For this purpose, we perform cyclic voltammetry and impedance spectroscopy measurements over a wide range of potentials and frequencies, using a pure aqueous electrolyte and adding two different types of redox couples, as well as applying different surface treatments to the GaN electrodes. For Ga-polar GaN electrodes, the charge transfer to an electrolyte is dominated by surface states, which are not related to dislocations and are independent of the specific growth technique. These surface states can be modified by the surface treatment; they are generated by etching in HCl and are passivated by oxidation. Different surface defect states are present on N-polar GaN electrodes which do not significantly contribute to the charge transfer across the GaN/electrolyte interface.

  9. Ionic cluster size distributions of swollen nafion/sulfated beta-cyclodextrin membranes characterized by nuclear magnetic resonance cryoporometry.

    Science.gov (United States)

    Jeon, Jae-Deok; Kwak, Seung-Yeop

    2007-08-16

    Nafion/sb-CD membranes were prepared by mixing 5 wt% Nafion solution with H+-form sulfated beta-cyclodextrin (sb-CD), and their water uptakes, ion exchange capacities (IECs), and ionic cluster size distributions were measured. Gravimetric and thermogravimetric measurements showed that the water uptake of the membranes increased with increases in their sb-CD content. The IECs of the membrane were measured with acid-base titration and found to increase with increases in the sb-CD content, reaching 0.96 mequiv/g for NC5 ("NCx" denotes a Nafion/sb-CD composite membrane containing x wt% of sb-CD). The cluster-correlation peaks and ionic cluster size distributions of the water-swollen membranes were determined using small-angle X-ray scattering (SAXS) and 1H nuclear magnetic resonance (NMR) cryoporometry, respectively. The SAXS experiments confirmed that increases in the sb-CD content of the membranes shifted the maximum SAXS peaks to lower angles, indicating an increase in the cluster correlation peak. NMR cryoporometry is based on the theory of the melting point depression, Delta Tm, of a liquid confined within a pore, which is dependent on the pore diameter. The melting point depression was determined by analyzing the variation of the NMR signal intensity with temperature. Our analysis of the intensity-temperature (IT) curves showed that the ionic cluster size distribution gradually became broader with increases in the membrane sb-CD content due to the increased water content, indicating an increase in the ionic cluster size. This result indicates that the presence of sb-CD with its many sulfonic acid sites in the Nafion membranes results in increases in the ionic cluster size as well as in the water uptake and the IEC. We conclude that NMR cryoporometry provides a method for determining the ionic cluster size on the nanometer scale in an aqueous environment, which cannot be obtained using other methods.

  10. Scalable implementations of accurate excited-state coupled cluster theories: application of high-level methods to porphyrin based systems

    Energy Technology Data Exchange (ETDEWEB)

    Kowalski, Karol; Krishnamoorthy, Sriram; Olson, Ryan M.; Tipparaju, Vinod; Apra, Edoardo

    2011-11-30

    The development of reliable tools for excited-state simulations is emerging as an extremely powerful computational chemistry tool for understanding complex processes in the broad class of light harvesting systems and optoelectronic devices. Over the last years we have been developing equation of motion coupled cluster (EOMCC) methods capable of tackling these problems. In this paper we discuss the parallel performance of EOMCC codes which provide accurate description of the excited-state correlation effects. Two aspects are discuss in details: (1) a new algorithm for the iterative EOMCC methods based on the novel task scheduling algorithms, and (2) parallel algorithms for the non-iterative methods describing the effect of triply excited configurations. We demonstrate that the most computationally intensive non-iterative part can take advantage of 210,000 cores of the Cray XT5 system at OLCF. In particular, we demonstrate the importance of non-iterative many-body methods for achieving experimental level of accuracy for several porphyrin-based system.

  11. Detection and Characterization of the Fimbrial sfp Cluster in Enterohemorrhagic Escherichia coli O165:H25/NM Isolates from Humans and Cattle ▿

    Science.gov (United States)

    Bielaszewska, Martina; Prager, Rita; Vandivinit, Liz; Müsken, Anne; Mellmann, Alexander; Holt, Nicholas J.; Tarr, Phillip I.; Karch, Helge; Zhang, Wenlan

    2009-01-01

    The sfp cluster, encoding Sfp fimbriae and located in the large plasmid of sorbitol-fermenting (SF) enterohemorrhagic Escherichia coli (EHEC) O157 (pSFO157), has been considered a unique characteristic of this organism. We discovered and then characterized the sfp cluster in EHEC O165:H25/NM (nonmotile) isolates of human and bovine origin. All seven strains investigated harbored a complete sfp cluster (carrying sfpA, sfpH, sfpC, sfpD, sfpJ, sfpF, and sfpG) of 6,838 bp with >99% nucleotide sequence homology to the sfp cluster of SF EHEC O157:NM. The sfp cluster in EHEC O165:H25/NM strains was located in an ∼80-kb (six strains) or ∼120-kb (one strain) plasmid which differed in structure, virulence genes, and sfp flanks from pSFO157. All O165:H25/NM strains belonged to the same multilocus sequence type (ST119) and were only distantly phylogenetically related to SF EHEC O157:NM (ST11). The highly conserved sfp cluster in different clonal backgrounds suggests that this segment was acquired independently by EHEC O165:H25 and SF EHEC O157:NM. Its presence in an additional EHEC serotype extends the diagnostic utility of PCR targeting sfpA as an easy and efficient approach to seek EHEC in patients' stools. The reasons for the convergence of pathogenic EHEC strains on a suite of virulence loci remain unknown. PMID:18978078

  12. Entanglement witnesses and characterizing entanglement properties of some PPT states

    Science.gov (United States)

    Jafarizadeh, M. A.; Behzadi, N.; Akbari, Y.

    2009-10-01

    On the basis of linear programming, new sets of entanglement witnesses (EWs) for 3⊗3 and 4⊗4 systems are constructed. In both cases, the constructed EWs correspond to the hyper-planes contacting, without intersecting, the related feasible regions at line segments and restricted planes respectively. Due to the special property of the contacting area between the hyper-planes and the feasible regions, the corresponding hyper-planes can be turned around the contacting area throughout a bounded interval and hence create an infinite number of EWs. As these EWs are able to detect entanglement of some PPT states, they are non-decomposable (nd-EWs).

  13. Phenotypic characterization of Rice Cluster III archaea without prior isolation by applying quantitative polymerase chain reaction to an enrichment culture.

    Science.gov (United States)

    Kemnitz, Dana; Kolb, Steffen; Conrad, Ralf

    2005-04-01

    A so far uncultured member of the Euryarchaeota was enriched from an anoxic riparian soil and phenotypically characterized using quantitative polymerase chain reaction (qPCR; "real-time PCR"). The microorganism is related to the Thermoplasmatales and belongs to Rice Cluster III (RC-III). Enrichment cultures utilized yeast extract (YE) by transiently accumulating acetate as major fermentation product, which was subsequently converted to methane. The abundance of RC-III archaea within the enrichment cultures was quantified by analysis of the terminal restriction fragment length polymorphism (T-RFLP) and by qPCR. We developed qPCR assays targeting the 16S rRNA genes (16S rDNA) specific for RC-III as well as for the Archaea in general. The enrichment cultures consisted of a mixed methanogenic community of Bacteria and Archaea, the latter consisting of up to 60% of members of RC-III. The other archaea belonged to Methanosarcinaceae, Methanomicrobiaceae and Methanobacteriaceae. The enriched RC-III archaea were represented by two sequences (LL25A, LL37A) that were highly similar to each other and to those detected in the soil inoculum (>98% similarity). However, the 16S rDNA copy numbers of RC-III archaea were about 1000-fold lower than those of Bacteria. Nevertheless, we were able to estimate growth parameters and physiological properties of one of the enriched RC-III archaea (LL25A) by measuring the increase of 16S rDNA copy numbers specific for this group under different growth conditions. The enriched RC-III archaeon grew optimally at temperatures between 20 and 30 degrees C and neutral pH using YE, meat extract, peptone or tryptone under anoxic conditions. Doubling time was approximately 3 days. No proliferation was detected on carbohydrates, amino acids, fatty acids, glycerol, alcohols, aromatic compounds, purine and pyrimidine bases or pyruvate. Various exogenous electron acceptors (e.g. ferric iron, S(0)) did not support growth on YE. Proliferation of the enriched

  14. Cosmology with cluster surveys

    Indian Academy of Sciences (India)

    Surveys of clusters of galaxies provide us with a powerful probe of the density and nature of the dark energy. The red-shift distribution of detected clusters is highly sensitive to the dark energy equation of state parameter . Upcoming Sunyaev–Zel'dovich (SZ) surveys would provide us large yields of clusters to very high ...

  15. Cosmology with cluster surveys

    Indian Academy of Sciences (India)

    Abstract. Surveys of clusters of galaxies provide us with a powerful probe of the den- sity and nature of the dark energy. The red-shift distribution of detected clusters is highly sensitive to the dark energy equation of state parameter w. Upcoming Sunyaev–. Zel'dovich (SZ) surveys would provide us large yields of clusters to ...

  16. Effect of gas-liquid-crystal transitions in oxygen clusters on electric and magnetic activity of localized states in In2O3-SrO ceramic

    Science.gov (United States)

    Okunev, V. D.; Szymczak, R.; Szymczak, H.; Aleshkevych, P.; Glot, A. B.; Bondarchuk, A. N.

    2015-10-01

    It has been shown that the overlap of tails of the density of states of the valence and conduction bands leads to the formation of a "negative" gap in the In2O3-SrO ceramic with disordered structure and oxygen clusters in nanovoids. Two types of magnetism are observed. One of them caused by the formation of (dangling bond + O- 2 center) complexes has been found in samples saturated with oxygen. The other is associated with the presence of dangling bonds in oxygen-depleted samples. At T conductivity of samples. The effects caused by magnetic phase transitions in clusters of crystal oxygen are manifested at T < 54.8 K. The variations of the resistance of samples in the interval T = 5-300 K correspond to Mott's law under the dependence of the local activation energy for electron hopping on the state of oxygen clusters.

  17. General active space commutator-based coupled cluster theory of general excitation rank for electronically excited states: implementation and application to ScH.

    Science.gov (United States)

    Hubert, Mickaël; Olsen, Jeppe; Loras, Jessica; Fleig, Timo

    2013-11-21

    We present a new implementation of general excitation rank coupled cluster theory for electronically excited states based on the single-reference multi-reference formalism. The method may include active-space selected and/or general higher excitations by means of the general active space concept. It may employ molecular integrals over the four-component Lévy-Leblond Hamiltonian or the relativistic spin-orbit-free four-component Hamiltonian of Dyall. In an initial application to ground- and excited states of the scandium monohydride molecule we report spectroscopic constants using basis sets of up to quadruple-zeta quality and up to full iterative triple excitations in the cluster operators. Effects due to spin-orbit interaction are evaluated using two-component multi-reference configuration interaction for assessing the accuracy of the coupled cluster results.

  18. Characterization of particle states in relativistic classical quantum theory

    International Nuclear Information System (INIS)

    Horwitz, L.P.; Rabin, Y.

    1977-02-01

    Classical and quantum relativistic mechanics are studied. The notion of a ''particle'' is defined in the classical case and the interpretation of mechanics in space-time is clarified. These notions are carried over to the quantum theory, as much as possible. The relation between the results of Feyman's path integral approach and the theory of Horwitz and Piron is discussed. The ''particle'' interpretation is shown to imply an asymptotic condition for scattering. A general method of constructing the dynamical mass spectrum of composite ''particle'' states is discussed. An interference experiment is proposed to affirm the interpretation and applicability of Stueckelberg type wave functions for actual physical phenomena. Some discussion of the relation of this relativistic quantum theory to Feynman's approach to quantum field theory is also given

  19. Characterization of microorganism identification in the United States in 1996.

    Science.gov (United States)

    Steindel, S J; Simon, M K

    2001-07-01

    The National Inventory of Clinical Laboratory Testing Services (NICLTS) was designed to give an unbiased estimate of all patient testing performed by laboratories registered under the Clinical Laboratory Improvement Amendments in 1996. Survey data were used to develop a profile of laboratory testing primarily intended to identify microorganisms or antibodies to these microorganisms. Estimates of the extent of microorganism identification were derived from the NICLTS database by identifying associated tests and methods. The volumes for tests performed at locations that primarily prepared blood components for distribution were excluded. Organisms of public health importance were identified from the National Notifiable Disease list maintained by the Centers for Disease Control and Prevention. Laboratories that were enrolled in the 1996 Online Certification Survey and Reporting System, maintained by the US Health Care Finance Administration, and that performed laboratory testing in 1996. Estimated volumes and associated confidence limits by test, method, specimen type, public health importance, and testing location. Excluding testing of the blood supply, 315 million tests (95% confidence limits, 280-354 million tests) were performed in the United States for microorganism identification. Those tests for which public health consensus requires national reporting represented 38% of this total. Although hospitals performed 46% of all microorganism identification, they only performed 33% of the testing for microorganisms of public health importance. Independent and specialty laboratories performed 38% of all testing but 65% of the testing for microorganisms of public health importance. Direct methods (methods not involving culture) were used in 77% of the tests for microorganisms of public health importance and in 42% of all identification tests. The distribution of microorganism identification testing found using NICLTS data is consistent with plans to modernize the public

  20. Defect Clustering and Nano-phase Structure Characterization of Multicomponent Rare Earth-Oxide-Doped Zirconia-Yttria Thermal Barrier Coatings

    Science.gov (United States)

    Zhu, Dongming; Chen, Yuan L.; Miller, Robert A.

    2004-01-01

    Advanced thermal barrier coatings (TBCs) have been developed by incorporating multicomponent rare earth oxide dopants into zirconia-based thermal barrier coatings to promote the creation of the thermodynamically stable, immobile oxide defect clusters and/or nanophases within the coating systems. In this paper, the defect clusters, induced by Nd, Gd, and Yb rare earth dopants in the zirconia-yttria thermal barrier coatings, were characterized by high-resolution transmission electron microscopy (TEM). The TEM lattice imaging, selected area diffraction (SAD), and electron energy-loss spectroscopy (EELS) analyses demonstrated that the extensive nanoscale rare earth dopant segregation exists in the plasma-sprayed and electron-physical-vapor-deposited (EB PVD) thermal barrier coatings. The nanoscale concentration heterogeneity and the resulting large lattice distortion promoted the formation of parallel and rotational defective lattice clusters in the coating systems. The presence of the 5-to 100-nm-sized defect clusters and nanophases is believed to be responsible for the significant reduction of thermal conductivity, improved sintering resistance, and long-term high temperature stability of the advanced thermal barrier coating systems.

  1. Health and Human Rights in Chin State, Western Burma: A Population-Based Assessment Using Multistaged Household Cluster Sampling

    Science.gov (United States)

    Sollom, Richard; Richards, Adam K.; Parmar, Parveen; Mullany, Luke C.; Lian, Salai Bawi; Iacopino, Vincent; Beyrer, Chris

    2011-01-01

    Background The Chin State of Burma (also known as Myanmar) is an isolated ethnic minority area with poor health outcomes and reports of food insecurity and human rights violations. We report on a population-based assessment of health and human rights in Chin State. We sought to quantify reported human rights violations in Chin State and associations between these reported violations and health status at the household level. Methods and Findings Multistaged household cluster sampling was done. Heads of household were interviewed on demographics, access to health care, health status, food insecurity, forced displacement, forced labor, and other human rights violations during the preceding 12 months. Ratios of the prevalence of household hunger comparing exposed and unexposed to each reported violation were estimated using binomial regression, and 95% confidence intervals (CIs) were constructed. Multivariate models were done to adjust for possible confounders. Overall, 91.9% of households (95% CI 89.7%–94.1%) reported forced labor in the past 12 months. Forty-three percent of households met FANTA-2 (Food and Nutrition Technical Assistance II project) definitions for moderate to severe household hunger. Common violations reported were food theft, livestock theft or killing, forced displacement, beatings and torture, detentions, disappearances, and religious and ethnic persecution. Self reporting of multiple rights abuses was independently associated with household hunger. Conclusions Our findings indicate widespread self-reports of human rights violations. The nature and extent of these violations may warrant investigation by the United Nations or International Criminal Court. Please see later in the article for the Editors' Summary PMID:21346799

  2. Health and human rights in Chin State, Western Burma: a population-based assessment using multistaged household cluster sampling.

    Directory of Open Access Journals (Sweden)

    Richard Sollom

    Full Text Available BACKGROUND: The Chin State of Burma (also known as Myanmar is an isolated ethnic minority area with poor health outcomes and reports of food insecurity and human rights violations. We report on a population-based assessment of health and human rights in Chin State. We sought to quantify reported human rights violations in Chin State and associations between these reported violations and health status at the household level. METHODS AND FINDINGS: Multistaged household cluster sampling was done. Heads of household were interviewed on demographics, access to health care, health status, food insecurity, forced displacement, forced labor, and other human rights violations during the preceding 12 months. Ratios of the prevalence of household hunger comparing exposed and unexposed to each reported violation were estimated using binomial regression, and 95% confidence intervals (CIs were constructed. Multivariate models were done to adjust for possible confounders. Overall, 91.9% of households (95% CI 89.7%-94.1% reported forced labor in the past 12 months. Forty-three percent of households met FANTA-2 (Food and Nutrition Technical Assistance II project definitions for moderate to severe household hunger. Common violations reported were food theft, livestock theft or killing, forced displacement, beatings and torture, detentions, disappearances, and religious and ethnic persecution. Self reporting of multiple rights abuses was independently associated with household hunger. CONCLUSIONS: Our findings indicate widespread self-reports of human rights violations. The nature and extent of these violations may warrant investigation by the United Nations or International Criminal Court. Please see later in the article for the Editors' Summary.

  3. Preliminary Geologic Characterization of West Coast States for Geologic Sequestration

    Energy Technology Data Exchange (ETDEWEB)

    Larry Myer

    2005-09-29

    Characterization of geological sinks for sequestration of CO{sub 2} in California, Nevada, Oregon, and Washington was carried out as part of Phase I of the West Coast Regional Carbon Sequestration Partnership (WESTCARB) project. Results show that there are geologic storage opportunities in the region within each of the following major technology areas: saline formations, oil and gas reservoirs, and coal beds. The work focused on sedimentary basins as the initial most-promising targets for geologic sequestration. Geographical Information System (GIS) layers showing sedimentary basins and oil, gas, and coal fields in those basins were developed. The GIS layers were attributed with information on the subsurface, including sediment thickness, presence and depth of porous and permeable sandstones, and, where available, reservoir properties. California offers outstanding sequestration opportunities because of its large capacity and the potential of value-added benefits from enhanced oil recovery (EOR) and enhanced gas recovery (EGR). The estimate for storage capacity of saline formations in the ten largest basins in California ranges from about 150 to about 500 Gt of CO{sub 2}, depending on assumptions about the fraction of the formations used and the fraction of the pore volume filled with separate-phase CO{sub 2}. Potential CO{sub 2}-EOR storage was estimated to be 3.4 Gt, based on a screening of reservoirs using depth, an API gravity cutoff, and cumulative oil produced. The cumulative production from gas reservoirs (screened by depth) suggests a CO{sub 2} storage capacity of 1.7 Gt. In Oregon and Washington, sedimentary basins along the coast also offer sequestration opportunities. Of particular interest is the Puget Trough Basin, which contains up to 1,130 m (3,700 ft) of unconsolidated sediments overlying up to 3,050 m (10,000 ft) of Tertiary sedimentary rocks. The Puget Trough Basin also contains deep coal formations, which are sequestration targets and may have

  4. Genomic characterization of a new endophytic Streptomyces kebangsaanensis identifies biosynthetic pathway gene clusters for novel phenazine antibiotic production

    Directory of Open Access Journals (Sweden)

    Juwairiah Remali

    2017-11-01

    Full Text Available Background Streptomyces are well known for their capability to produce many bioactive secondary metabolites with medical and industrial importance. Here we report a novel bioactive phenazine compound, 6-((2-hydroxy-4-methoxyphenoxy carbonyl phenazine-1-carboxylic acid (HCPCA extracted from Streptomyces kebangsaanensis, an endophyte isolated from the ethnomedicinal Portulaca oleracea. Methods The HCPCA chemical structure was determined using nuclear magnetic resonance spectroscopy. We conducted whole genome sequencing for the identification of the gene cluster(s believed to be responsible for phenazine biosynthesis in order to map its corresponding pathway, in addition to bioinformatics analysis to assess the potential of S. kebangsaanensis in producing other useful secondary metabolites. Results The S. kebangsaanensis genome comprises an 8,328,719 bp linear chromosome with high GC content (71.35% consisting of 12 rRNA operons, 81 tRNA, and 7,558 protein coding genes. We identified 24 gene clusters involved in polyketide, nonribosomal peptide, terpene, bacteriocin, and siderophore biosynthesis, as well as a gene cluster predicted to be responsible for phenazine biosynthesis. Discussion The HCPCA phenazine structure was hypothesized to derive from the combination of two biosynthetic pathways, phenazine-1,6-dicarboxylic acid and 4-methoxybenzene-1,2-diol, originated from the shikimic acid pathway. The identification of a biosynthesis pathway gene cluster for phenazine antibiotics might facilitate future genetic engineering design of new synthetic phenazine antibiotics. Additionally, these findings confirm the potential of S. kebangsaanensis for producing various antibiotics and secondary metabolites.

  5. Next Generation Energetic Materials: New Cluster Hydrides and Metastable Alloys of Aluminum in Very Low Oxidation States

    Science.gov (United States)

    2016-10-01

    aluminum clusters, energetic materials, cluster compounds, low oxidation Unclassified Unclassified Unclassified SAR 38 Allen Dalton 703...dialumane supported by pyrazolate ligands”, Snyder, C. J.; Zavalij, P.; Bowen, K. H.; Schnöckel, H.; Eichhorn, B. W. Dalton Transactions. 44, 2956–2958...elementary steps, we additionally per- formed density functional theory calculations. The results show that for both even- and odd-numbered clusters the

  6. Characterization of patient specific signaling via augmentation of Bayesian networks with disease and patient state nodes.

    Science.gov (United States)

    Sachs, Karen; Gentles, Andrew J; Youland, Ryan; Itani, Solomon; Irish, Jonathan; Nolan, Garry P; Plevritis, Sylvia K

    2009-01-01

    Characterization of patient-specific disease features at a molecular level is an important emerging field. Patients may be characterized by differences in the level and activity of relevant biomolecules in diseased cells. When high throughput, high dimensional data is available, it becomes possible to characterize differences not only in the level of the biomolecules, but also in the molecular interactions among them. We propose here a novel approach to characterize patient specific signaling, which augments high throughput single cell data with state nodes corresponding to patient and disease states, and learns a Bayesian network based on this data. Features distinguishing individual patients emerge as downstream nodes in the network. We illustrate this approach with a six phospho-protein, 30,000 cell-per-patient dataset characterizing three comparably diagnosed follicular lymphoma, and show that our approach elucidates signaling differences among them.

  7. Characterization of a forest incentive program in Minas Gerais state

    Directory of Open Access Journals (Sweden)

    José Luiz Pereira de Rezende

    2009-09-01

    Full Text Available The IEF-Asiflor forest incentive program is the result of a joint endeavor that channeled forest restoration funds to promote, according to effective legislation, silvicultural activity in Minas Gerais state. The above partnership was implemented in 2003. In this work we aimed to outline the incentive program per participating IEF administrative region, and to georeference and quantify implemented forest stands according to property size class. To that end, we searched data records of all producers benefiting from the program. We then compiled and processed the data, using ArcMap® application to georeference the rural properties making up the sample. The observations concerning number of assisted properties and area reforested in each property per administrative region was based on seven property size classes, according to the 1996 agricultural census classification of the Brazilian Institute of Geography and Statistics (IBGE. The administrative unit showing the largest assisted area was Centro Norte regional office, with 3,872.25 ha, although Zona da Mata regional office had the largest number of benefiting producers, with 449 producers. Featured among the steel producing hubs concentrating the largest number of Asiflor member plants, Sete Lagoas had the largest reforested area, being closer to the actual plants. The most assisted property size class, both in quantity and in area reforested, was class B, except in Centro Norte regional office where Class E showed a larger area reforested.

  8. Pattern recognition characterizations of micromechanical and morphological materials states via analytical quantitative ultrasonics

    Science.gov (United States)

    Williams, J. H., Jr.; Lee, S. S.

    1986-01-01

    One potential approach to the quantitative acquisition of discriminatory information that can isolate a single structural state is pattern recognition. The pattern recognition characterizations of micromechanical and morphological materials states via analytical quantiative ultrasonics are outlined. The concepts, terminology, and techniques of statistical pattern recognition are reviewed. Feature extraction and classification and states of the structure can be determined via a program of ultrasonic data generation.

  9. Similarity, Clustering, and Scaling Analyses for the Foreign Exchange Market ---Comprehensive Analysis on States of Market Participants with High-Frequency Financial Data---

    Science.gov (United States)

    Sato, A.; Sakai, H.; Nishimura, M.; Holyst, J. A.

    This article proposes mathematical methods to quantify states of marketparticipants in the foreign exchange market (FX market) and conduct comprehensive analysis on behavior of market participants by means of high-frequency financial data. Based on econophysics tools and perspectives we study similarity measures for both rate movements and quotation activities among various currency pairs. We perform also clustering analysis on market states for observation days, and find scaling relationship between mean values of quotation activities and their standard deviations. Using these mathematical methods we can visualize states of the FX market comprehensively. Finally we conclude that states of market participants temporally vary due to both external and internal factors.

  10. Comparison and Analysis of the Control Power Between Two Different Perfect Controlled Teleportation Schemes Using Four-particle Cluster State

    Science.gov (United States)

    Jiang, Yu-ting; Mo, Zhi-wen

    2017-10-01

    Control power is used to discuss about the controller's measurable authority. It's a new index to describe the controlled teleportation schemes from the point of view of the controller. In this paper, we introduce two perfect controlled teleportation schemes and calculate the control power under different control particles. In scheme 1, the controller just controls one particle, which is particle 2. And in scheme 2, the controller controls the particles 2 and 3. They both use the cluster state |ψ > _{1234}={1/2}(|0000> +|0011> +|1100> -|1111> )_{1234} as communication channel. By calculating the control power between two schemes, the control power of scheme 1 is 1/3, which is the minimal value of control power. On the contrary, the control power of scheme 2 is maximal, 1/2. Scheme 2 which controls two particles successfully promotes the control power comparing with scheme 1. It's evidently that controlling particle 2 is a necessary condition. And controlling particle 3 can gain the control power but the controller cannot control it solely.

  11. Internal proton transfer and H2 rotations in the H5(+) cluster: a marked influence on its thermal equilibrium state.

    Science.gov (United States)

    de Tudela, Ricardo Pérez; Barragán, Patricia; Prosmiti, Rita; Villarreal, Pablo; Delgado-Barrio, Gerardo

    2011-03-31

    Classical and path integral Monte Carlo (CMC, PIMC) "on the fly" calculations are carried out to investigate anharmonic quantum effects on the thermal equilibrium structure of the H5(+) cluster. The idea to follow in our computations is based on using a combination of the above-mentioned nuclear classical and quantum statistical methods, and first-principles density functional (DFT) electronic structure calculations. The interaction energies are computed within the DFT framework using the B3(H) hybrid functional, specially designed for hydrogen-only systems. The global minimum of the potential is predicted to be a nonplanar configuration of C(2v) symmetry, while the next three low-lying stationary points on the surface correspond to extremely low-energy barriers for the internal proton transfer and to the rotation of the H2 molecules, around the C2 axis of H5(+), connecting the symmetric C(2v) minima in the planar and nonplanar orientations. On the basis of full-dimensional converged PIMC calculations, results on the quantum vibrational zero-point energy (ZPE) and state of H5(+) are reported at a low temperature of 10 K, and the influence of the above-mentioned topological features of the surface on its probability distributions is clearly demonstrated.

  12. Rearrangement of van der Waals stacking and formation of a singlet state at T = 90 K in a cluster magnet

    Energy Technology Data Exchange (ETDEWEB)

    Sheckelton, John P.; Plumb, Kemp W.; Trump, Benjamin A.; Broholm, Collin L.; McQueen, Tyrel M.

    2017-01-01

    Insulating Nb3Cl8 is a layered chloride consisting of two-dimensional triangular layers of Seff = 1/2 Nb3Cl13 clusters at room temperature. Magnetic susceptibility measurement show a sharp, hysteretic drop to a temperature independent value below T = 90 K. Specific heat measurements show that the transition is first order, with ΔS ≈ 5 J K-1 mol-1 f.u.-1, and a low temperature T-linear contribution originating from defect spins. Neutron and X-ray diffraction show a lowering of symmetry from trigonal P[3 with combining macron]m1 to monoclinic C2/m symmetry, with a change in layer stacking from –AB–AB– to –AB'–BC'–CA'– and no observed magnetic order. This lowering of symmetry and rearrangement of successive layers evades geometric magnetic frustration to form a singlet ground state. It is the lowest temperature at which a change in stacking sequence is known to occur in a van der Waals solid, occurs in the absence of orbital degeneracies, and suggests that designer 2-D heterostructures may be able to undergo similar phase transitions.

  13. Large-scale parallel uncontracted multireference-averaged quadratic coupled cluster: the ground state of the chromium dimer revisited.

    Science.gov (United States)

    Müller, Thomas

    2009-11-12

    The accurate prediction of the potential energy function of the X1Sigmag+ state of Cr2 is a remarkable challenge; large differential electron correlation effects, significant scalar relativistic contributions, the need for large flexible basis sets containing g functions, the importance of semicore valence electron correlation, and its multireference nature pose considerable obstacles. So far, the only reasonable successful approaches were based on multireference perturbation theory (MRPT). Recently, there was some controversy in the literature about the role of error compensation and systematic defects of various MRPT implementations that cannot be easily overcome. A detailed basis set study of the potential energy function is presented, adopting a variational method. The method of choice for this electron-rich target with up to 28 correlated electrons is fully uncontracted multireference-averaged quadratic coupled cluster (MR-AQCC), which shares the flexibility of the multireference configuration interaction (MRCI) approach and is, in addition, approximately size-extensive (0.02 eV in error as compared to the MRCI value of 1.37 eV for two noninteracting chromium atoms). The best estimate for De arrives at 1.48 eV and agrees well with the experimental data of 1.47 +/- 0.056 eV. At the estimated CBS limit, the equilibrium bond distance (1.685 A) and vibrational frequency (459 cm-1) are in agreement with experiment (1.679 A, 481 cm-1). Large basis sets and reference configuration spaces invariably result in huge wave function expansions (here, up to 2.8 billion configuration state functions), and efficient parallel implementations of the method are crucial. Hence, relevant details on implementation and general performance of the parallel program code are discussed as well.

  14. Chapter Eight - Structural Characterization of Poised States in the Oxygen Sensitive Hydrogenases and Nitrogenases

    Energy Technology Data Exchange (ETDEWEB)

    King, Paul W [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Mulder, David W [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Artz, Jacob H. [Washington State University; Zadvornyy, Oleg A. [Washington State University; Peters, John W. [Washington State University

    2017-08-21

    The crystallization of FeS cluster-containing proteins has been challenging due to their oxygen sensitivity, and yet these enzymes are involved in many critical catalytic reactions. The last few years have seen a wealth of innovative experiments designed to elucidate not just structural but mechanistic insights into FeS cluster enzymes. Here, we focus on the crystallization of hydrogenases, which catalyze the reversible reduction of protons to hydrogen, and nitrogenases, which reduce dinitrogen to ammonia. A specific focus is given to the different experimental parameters and strategies that are used to trap distinct enzyme states, specifically, oxidants, reductants, and gas-treatments. Other themes presented here include the recent use of Cryo-EM, and how coupling various spectroscopies to crystallization is opening up new approaches for structural and mechanistic analysis.

  15. Characterizing the relationship between steady state and response using analytical expressions for the steady states of mass action models.

    Science.gov (United States)

    Loriaux, Paul Michael; Tesler, Glenn; Hoffmann, Alexander

    2013-01-01

    The steady states of cells affect their response to perturbation. Indeed, diagnostic markers for predicting the response to therapeutic perturbation are often based on steady state measurements. In spite of this, no method exists to systematically characterize the relationship between steady state and response. Mathematical models are established tools for studying cellular responses, but characterizing their relationship to the steady state requires that it have a parametric, or analytical, expression. For some models, this expression can be derived by the King-Altman method. However, King-Altman requires that no substrate act as an enzyme, and is therefore not applicable to most models of signal transduction. For this reason we developed py-substitution, a simple but general method for deriving analytical expressions for the steady states of mass action models. Where the King-Altman method is applicable, we show that py-substitution yields an equivalent expression, and at comparable efficiency. We use py-substitution to study the relationship between steady state and sensitivity to the anti-cancer drug candidate, dulanermin (recombinant human TRAIL). First, we use py-substitution to derive an analytical expression for the steady state of a published model of TRAIL-induced apoptosis. Next, we show that the amount of TRAIL required for cell death is sensitive to the steady state concentrations of procaspase 8 and its negative regulator, Bar, but not the other procaspase molecules. This suggests that activation of caspase 8 is a critical point in the death decision process. Finally, we show that changes in the threshold at which TRAIL results in cell death is not always equivalent to changes in the time of death, as is commonly assumed. Our work demonstrates that an analytical expression is a powerful tool for identifying steady state determinants of the cellular response to perturbation. All code is available at http://signalingsystems.ucsd.edu/models-and-code/ or

  16. Halide Binding and Inhibition of Laccase Copper Clusters: The Role of Reorganization Energy

    DEFF Research Database (Denmark)

    Kepp, Kasper Planeta

    2015-01-01

    complicate characterization. Understanding these processes at the molecular level is thus desirable but theoretically unexplored. This paper reports systematic calculations of geometries, reorganization energies, and ionization energies for all partly oxidized states of the trinuclear copper clusters...

  17. Cluster State Quantum Computation

    Science.gov (United States)

    2014-02-01

    Computation Background In the standard quantum circuit model ( QCM ) paradigm, quantum computations are executed by successive unitary operations acting...overhead in the standard QCM to photon-based quantum computation. In the OWQC approach a quantum computation proceeds as follows: (i) a classical...the MBQC paradigm and its comparison/contrast with the usual QCM approach. Grover’s search algorithm (GSA) serves as an important prototypical

  18. Cluster State Quantum Computing

    Science.gov (United States)

    2012-12-01

    Computation Background In the standard Quantum Circuit Model ( QCM ) paradigm, quantum computations are executed by successive unitary operations acting upon...resource overhead in the standard QCM to photon-based quantum computation. In the OWQC approach a quantum computation proceeds as follows: (i) A classical...Grover’s search algorithm (GSA) on an unsorted list of elements in the MBQC paradigm, and its comparison/contrast with the usual QCM approach. GSA

  19. Geometric characterization of separability and entanglement in pure Gaussian states by single-mode unitary operations

    International Nuclear Information System (INIS)

    Adesso, Gerardo; Giampaolo, Salvatore M.; Illuminati, Fabrizio

    2007-01-01

    We present a geometric approach to the characterization of separability and entanglement in pure Gaussian states of an arbitrary number of modes. The analysis is performed adapting to continuous variables a formalism based on single subsystem unitary transformations that has been recently introduced to characterize separability and entanglement in pure states of qubits and qutrits [S. M. Giampaolo and F. Illuminati, Phys. Rev. A 76, 042301 (2007)]. In analogy with the finite-dimensional case, we demonstrate that the 1xM bipartite entanglement of a multimode pure Gaussian state can be quantified by the minimum squared Euclidean distance between the state itself and the set of states obtained by transforming it via suitable local symplectic (unitary) operations. This minimum distance, corresponding to a, uniquely determined, extremal local operation, defines an entanglement monotone equivalent to the entropy of entanglement, and amenable to direct experimental measurement with linear optical schemes

  20. A Poisson Cluster Stochastic Rainfall Generator That Accounts for the Interannual Variability of Rainfall Statistics: Validation at Various Geographic Locations across the United States

    Directory of Open Access Journals (Sweden)

    Dongkyun Kim

    2014-01-01

    Full Text Available A novel approach for a Poisson cluster stochastic rainfall generator was validated in its ability to reproduce important rainfall and watershed response characteristics at 104 locations in the United States. The suggested novel approach, The Hybrid Model (THM, as compared to the traditional Poisson cluster rainfall modeling approaches, has an additional capability to account for the interannual variability of rainfall statistics. THM and a traditional approach of Poisson cluster rainfall model (modified Bartlett-Lewis rectangular pulse model were compared in their ability to reproduce the characteristics of extreme rainfall and watershed response variables such as runoff and peak flow. The results of the comparison indicate that THM generally outperforms the traditional approach in reproducing the distributions of peak rainfall, peak flow, and runoff volume. In addition, THM significantly outperformed the traditional approach in reproducing extreme rainfall by 2.3% to 66% and extreme flow values by 32% to 71%.

  1. Qualitative study of the agitation states and their characterization, and the interventions used to attend them.

    Science.gov (United States)

    Rubio-Valera, María; Huerta-Ramos, Elena; Baladón, Luisa; Aznar-Lou, Ignacio; Ortiz-Moreno, José M; Luciano, Juan V; Roset-Arisso, Pere N; Salvador-Carulla, Luis; Villagrán, José M; Mayoral, Fermín; Gracia, Alfredo; Serrano-Blanco, Antoni

    2016-09-01

    Agitation is a common problem in psychiatric care with serious clinical and economic consequences. The aim of the study was to define and characterize the agitation states present in usual medical practice in the acute and emergency units of a psychiatric hospital. Two nominal groups, one with 7 nurses and the other with 10 psychiatrists from the Parc Sanitari Sant Joan de Déu, were established. The nurses described two main states forming the endpoints of a spectrum: from mild (pre-agitation) to severe (agitation). A third state was outlined in which agitation was characterized by disorganized behavior problems. Various care packages were described for each agitation state. The care packages were divided into first, second and third line approaches. The first line approaches (i.e., verbal containment) were used on every (pre)agitated patient. If the first line approach was not effective, the second and third line approaches were implemented, culminating with physical restraint. The psychiatrists described 3 states: a mild initial state (anxiety and irritability), moderate (pre-agitation without aggressiveness) and a severe state of agitation with aggressiveness and/or violence. In order to avoid progression to a severely agitated state, both groups agreed on the importance of appropriate verbal containment for all states. This would be followed by environmental measures, medication and mechanical restrain depending on the severity of the state.

  2. Synthesis, characterization, and bonding of indium cluster phases: Na15In27.4, a network of In16 and In11 clusters; Na2In with isolated indium tetrahedra

    International Nuclear Information System (INIS)

    Sevov, S.C.; Corbett, J.D.

    1993-01-01

    The remaining phases in the Na-In system have been identified and characterized. The indium-richest is Na 15 In 27.4 , with a structure containing novel closo-In 16 clusters interconnected to two kinds of nido-In 11 units and isolated, 4-bonded atoms (Cmcm, Z = 8, a = 16.108 (4) Angstrom, b = 35.279 (8) Angstrom, c = 15.931 (3) Angstrom, R/R w = 0.041/0.044 at the indium-rich limits Na 15 In 27.54 ). Fractional occupancy of two atoms in cluster chain positions were found, one as a function of a narrow nonstoichiometry. The structure is related to that recently established for Na 7 In 11.8 . Resistivity and magnetic properties are consistent with a small (0.5-3.2%) excess of electrons relative to the calculated bonding requirements. The sodium-richest phase is the stable, diamagnetic, and weakly metallic Na 2 In, isostructural with Na 2 Tl (C222 1 , Z = 16, a = 13.855 (1) Angstrom, b = 8.836 (1) Angstrom, c = 11.762 (1) Angstrom, R/R w = 0.030/0.034). A corrected phase diagram is given. 21 refs., 5 figs., 5 tabs

  3. Characterization of a multicopper oxidase gene cluster in Phanerochaete chrysosporium and evidence of altered splicing of the mco transcripts

    Science.gov (United States)

    Luis F. Larrondo; Bernardo Gonzalez; Dan Cullen; Rafael Vicuna

    2004-01-01

    A cluster of multicopper oxidase genes (mco1, mco2, mco3, mco4) from the lignin-degrading basidiomycete Phanerochaete chrysosporium is described. The four genes share the same transcriptional orientation within a 25 kb region. mco1, mco2 and mco3 are tightly grouped, with intergenic regions of 2.3 and 0.8 kb, respectively, whereas mco4 is located 11 kb upstream of mco1...

  4. Identification and characterization of a biosynthetic gene cluster for tryptophan dimers in deep sea-derived Streptomyces sp. SCSIO 03032.

    Science.gov (United States)

    Ma, Liang; Zhang, Wenjun; Zhu, Yiguang; Zhang, Guangtao; Zhang, Haibo; Zhang, Qingbo; Zhang, Liping; Yuan, Chengshan; Zhang, Changsheng

    2017-08-01

    Tryptophan dimers (TDs) are an important class of natural products with diverse bioactivities and share conserved biosynthetic pathways. We report the identification of a partial gene cluster (spm) responsible for the biosynthesis of a class of unusual TDs with non-planar skeletons including spiroindimicins (SPMs), indimicins (IDMs), and lynamicins (LNMs) from the deep-sea derived Streptomyces sp. SCSIO 03032. Bioinformatics analysis, targeted gene disruptions, and heterologous expression studies confirmed the involvement of the spm gene cluster in the biosynthesis of SPM/IDM/LNMs, and revealed the indispensable roles for the halogenase/reductase pair SpmHF, the amino acid oxidase SpmO, and the chromopyrrolic acid (CPA) synthase SpmD, as well as the positive regulator SpmR and the putative transporter SpmA. However, the spm gene cluster was unable to confer a heterologous host the ability to produce SPM/IDM/LNMs. In addition, the P450 enzyme SpmP and the monooxygenase SpmX2 were found to be non-relevant to the biosynthesis of SPM/IDM/LNMs. Sequence alignment and structure modeling suggested the lack of key conserved amino acid residues in the substrate-binding pocket of SpmP. Furthermore, feeding experiments in the non-producing ΔspmO mutant revealed several biosynthetic precursors en route to SPMs, indicating that key enzymes responsible for the biosynthesis of SPMs should be encoded by genes outside of the identified spm gene cluster. Finally, the biosynthetic pathways of SPM/IDM/LNMs are proposed to lay a basis for further insights into their intriguing biosynthetic machinery.

  5. Electroactive chain-like compounds constructed from trimetallic clusters and 4,4'-bipyridine spacers: one-pot synthesis, characterization and surface binding.

    Science.gov (United States)

    Abe, Masaaki; Inatomi, Atsushi; Hisaeda, Yoshio

    2011-03-14

    This paper reports the synthesis and characterization of a novel series of chain-like compounds where oxo-centered triruthenium cluster moieties are bridged by 4,4'-bipyridine (4,4'-bpy) spacers. A reaction of solvent-coordinated triruthenium "monomer" precursor [Ru(3)O(CH(3)CO(2))(6)(CO)(CH(3)OH)(2)] with a 0.1 equimolar amount of 4,4'-bpy in CH(3)OH gave mixture of chain-like compounds containing "dimers" to "tetramers" which were cleanly separated by column chromatography and characterized by spectroscopic and electrochemical methods. Cyclic voltammetry revealed that all chain-like compounds exhibit reversible and stepwise redox processes in solution with very weak intramolecular coupling between the triruthenium components across the 4,4'-bpy bridge. Photo-induced dissociation of CO from the compounds and electrode surface binding were also investigated.

  6. Fischer–Tropsch Synthesis at a Low Pressure on Subnanometer Cobalt Oxide Clusters: The Effect of Cluster Size and Support on Activity and Selectivity

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Sungsik; Lee, Byeongdu; Seifert, Sönke; Winans, Randall E.; Vajda, Stefan

    2015-05-21

    In this study, the catalytic activity and changes in the oxidation state during the Fischer Tropsch (FT) reaction was investigated on subnanometer size-selected cobalt clusters deposited on oxide (Al2O3, MgO) and carbon-based (ultrananocrystalline diamond UNCD) supports by temperature programmed reaction (TPRx) combined with in-situ grazing-incidence X-ray absorption characterization (GIXAS). The activity and selectivity of ultrasmall cobalt clusters exhibits a very strong dependence on cluster size and support. The evolution of the oxidation state of metal cluster during the reaction reveals that metal-support interaction plays a key role in the reaction.

  7. Computerized Segmentation and Characterization of Breast Lesions in Dynamic Contrast-Enhanced MR Images Using Fuzzy c-Means Clustering and Snake Algorithm

    Directory of Open Access Journals (Sweden)

    Yachun Pang

    2012-01-01

    Full Text Available This paper presents a novel two-step approach that incorporates fuzzy c-means (FCMs clustering and gradient vector flow (GVF snake algorithm for lesions contour segmentation on breast magnetic resonance imaging (BMRI. Manual delineation of the lesions by expert MR radiologists was taken as a reference standard in evaluating the computerized segmentation approach. The proposed algorithm was also compared with the FCMs clustering based method. With a database of 60 mass-like lesions (22 benign and 38 malignant cases, the proposed method demonstrated sufficiently good segmentation performance. The morphological and texture features were extracted and used to classify the benign and malignant lesions based on the proposed computerized segmentation contour and radiologists’ delineation, respectively. Features extracted by the computerized characterization method were employed to differentiate the lesions with an area under the receiver-operating characteristic curve (AUC of 0.968, in comparison with an AUC of 0.914 based on the features extracted from radiologists’ delineation. The proposed method in current study can assist radiologists to delineate and characterize BMRI lesion, such as quantifying morphological and texture features and improving the objectivity and efficiency of BMRI interpretation with a certain clinical value.

  8. Characterization of oil and gas reservoirs and recovery technology deployment on Texas State Lands

    Energy Technology Data Exchange (ETDEWEB)

    Tyler, R.; Major, R.P.; Holtz, M.H. [Univ. of Texas, Austin, TX (United States)] [and others

    1997-08-01

    Texas State Lands oil and gas resources are estimated at 1.6 BSTB of remaining mobile oil, 2.1 BSTB, or residual oil, and nearly 10 Tcf of remaining gas. An integrated, detailed geologic and engineering characterization of Texas State Lands has created quantitative descriptions of the oil and gas reservoirs, resulting in delineation of untapped, bypassed compartments and zones of remaining oil and gas. On Texas State Lands, the knowledge gained from such interpretative, quantitative reservoir descriptions has been the basis for designing optimized recovery strategies, including well deepening, recompletions, workovers, targeted infill drilling, injection profile modification, and waterflood optimization. The State of Texas Advanced Resource Recovery program is currently evaluating oil and gas fields along the Gulf Coast (South Copano Bay and Umbrella Point fields) and in the Permian Basin (Keystone East, Ozona, Geraldine Ford and Ford West fields). The program is grounded in advanced reservoir characterization techniques that define the residence of unrecovered oil and gas remaining in select State Land reservoirs. Integral to the program is collaboration with operators in order to deploy advanced reservoir exploitation and management plans. These plans are made on the basis of a thorough understanding of internal reservoir architecture and its controls on remaining oil and gas distribution. Continued accurate, detailed Texas State Lands reservoir description and characterization will ensure deployment of the most current and economically viable recovery technologies and strategies available.

  9. State-of-the-art in analytical characterization of high purity solid ...

    Indian Academy of Sciences (India)

    Unknown

    State-of-the-art in analytical characterization of high purity solid samples by different spectroscopic methods. S S GRAZHULENE. Institute of Microelectronics Technology and High Purity Materials, RAS 142432, Chernogolovka, Russia. Abstract. Facilities and some results of several spectroscopic methods which have ...

  10. High-Resolution Solid-State NMR Spectroscopy: Characterization of Polymorphism in Cimetidine, a Pharmaceutical Compound

    Science.gov (United States)

    Pacilio, Julia E.; Tokarski, John T.; Quiñones, Rosalynn; Iuliucci, Robbie J.

    2014-01-01

    High-resolution solid-state NMR (SSNMR) spectroscopy has many advantages as a tool to characterize solid-phase material that finds applications in polymer chemistry, nanotechnology, materials science, biomolecular structure determination, and others, including the pharmaceutical industry. The technology associated with achieving high resolution…

  11. Molecular characterization of peach [Prunus persica (L.) Batsch] germplasm in the United States using microsatellite markers

    Science.gov (United States)

    Peach [Prunus persica (L.) Batsch] is an important medicinal fruit with immense health benefits and antioxidant activity. In this study, microsatellite markers were used as DNA fingerprinting tools for the identification and characterization of peach germplasm in the United States. Eleven microsatel...

  12. Characterization of the southwest United States for the production of biomass energy crops

    Energy Technology Data Exchange (ETDEWEB)

    Salk, M.S.; Folger, A.G.

    1987-03-01

    The southwest United States, an area of diverse climate, topography, terrain, soils, and vegetation, is characterized to determine the feasibility of growing terrestrial energy crops there. The emphasis in the study is on delineating general zones of relative resource and environmental suitability, which are then evaluated to estimate the potential of the region for energy crop production. 100 refs., 25 figs., 24 tabs.

  13. A characterization of positive linear maps and criteria of entanglement for quantum states

    Energy Technology Data Exchange (ETDEWEB)

    Hou Jinchuan, E-mail: jinchuanhou@yahoo.com.c, E-mail: houjinchuan@tyut.edu.c [Department of Mathematics, Taiyuan University of Technology, Taiyuan 030024 (China)

    2010-09-24

    Let H and K be (finite- or infinite-dimensional) complex Hilbert spaces. A characterization of positive completely bounded normal linear maps from B(H) into B(K) is given, which particularly gives a characterization of positive elementary operators including all positive linear maps between matrix algebras. This characterization is then applied to give a representation of quantum channels (operations) between infinite-dimensional systems. A necessary and sufficient criterion of separability is given which shows that a state {rho} on HxK is separable if and only if ({Phi}xI){rho} {>=} 0 for all positive finite-rank elementary operators {Phi}. Examples of NCP and indecomposable positive linear maps are given and are used to recognize some entangled states that cannot be recognized by the PPT criterion and the realignment criterion.

  14. A characterization of positive linear maps and criteria of entanglement for quantum states

    International Nuclear Information System (INIS)

    Hou Jinchuan

    2010-01-01

    Let H and K be (finite- or infinite-dimensional) complex Hilbert spaces. A characterization of positive completely bounded normal linear maps from B(H) into B(K) is given, which particularly gives a characterization of positive elementary operators including all positive linear maps between matrix algebras. This characterization is then applied to give a representation of quantum channels (operations) between infinite-dimensional systems. A necessary and sufficient criterion of separability is given which shows that a state ρ on HxK is separable if and only if (ΦxI)ρ ≥ 0 for all positive finite-rank elementary operators Φ. Examples of NCP and indecomposable positive linear maps are given and are used to recognize some entangled states that cannot be recognized by the PPT criterion and the realignment criterion.

  15. A characterization of positive linear maps and criteria of entanglement for quantum states

    Science.gov (United States)

    Hou, Jinchuan

    2010-09-01

    Let H and K be (finite- or infinite-dimensional) complex Hilbert spaces. A characterization of positive completely bounded normal linear maps from {\\mathcal B}(H) into {\\mathcal B}(K) is given, which particularly gives a characterization of positive elementary operators including all positive linear maps between matrix algebras. This characterization is then applied to give a representation of quantum channels (operations) between infinite-dimensional systems. A necessary and sufficient criterion of separability is given which shows that a state ρ on HotimesK is separable if and only if (ΦotimesI)ρ >= 0 for all positive finite-rank elementary operators Φ. Examples of NCP and indecomposable positive linear maps are given and are used to recognize some entangled states that cannot be recognized by the PPT criterion and the realignment criterion.

  16. Cluster headache

    Science.gov (United States)

    Histamine headache; Headache - histamine; Migrainous neuralgia; Headache - cluster; Horton's headache; Vascular headache - cluster ... Doctors do not know exactly what causes cluster headaches. They ... (chemical in the body released during an allergic response) or ...

  17. Photofragment Coincidence Imaging of Small I- (H2O)n Clusters Excited to the Charge-transfer-to-solvent State

    Energy Technology Data Exchange (ETDEWEB)

    Neumark, D. E. Szpunar, K. E. Kautzman, A. E. Faulhaber, and D. M.; Kautzman, K.E.; Faulhaber, A.E.; Faulhaber, A.E.

    2005-11-09

    The photodissociation dynamics of small I{sup -}(H{sub 2}O){sub n} (n = 2-5) clusters excited to their charge-transfer-to-solvent (CTTS) states have been studied using photofragment coincidence imaging. Upon excitation to the CTTS state, two photodissociation channels were observed. The major channel ({approx}90%) is a 2-body process forming neutral I + (H{sub 2}O){sub n} photofragments, and the minor channel is a 3-body process forming I + (H{sub 2}O){sub n-1} + H{sub 2}O fragments. Both process display translational energy (P(E{sub T})) distributions peaking at E{sub T} = 0 with little available energy partitioned into translation. Clusters excited to the detachment continuum rather than to the CTTS state display the same two channels with similar P(E{sub T}) distributions. The observation of similar P(E{sub T}) distributions from the two sets of experiments suggests that in the CTTS experiments, I atom loss occurs after autodetachment of the excited (I(H{sub 2}O){sub n}{sup -})* cluster, or, less probably, that the presence of the excess electron has little effect on the departing I atom.

  18. A cluster-glass magnetic state in R5Pd2 (R = Ho, Tb) compounds evidenced by AC-susceptibility and neutron scattering measurements.

    Science.gov (United States)

    Gubkin, A F; Sherstobitova, E A; Terentyev, P B; Hoser, A; Baranov, N V

    2013-06-12

    AC- and DC-susceptibility, high-field magnetization and neutron diffraction measurements have been performed in order to study the magnetic state of R5Pd2 (R = Ho, Tb) compounds. The results show that both compounds undergo cluster-glass freezing upon cooling below Tf. According to the neutron diffraction a long-range magnetic order is absent down to 2 K and magnetic clusters with short-range incommensurate antiferromagnetic correlations exist not only below Tf but also in a wide temperature range above the freezing temperature (at least up to 2Tf). A complex cluster-glass magnetic state existing in Ho5Pd2 and Tb5Pd2 down to low temperatures results in rather complicated magnetization behavior in DC and AC magnetic fields. Such an unusual magnetic state in compounds with a high rare-earth concentration may be associated with the layered type of their crystal structure and with substantial atomic disorder, which results in frustrations in the magnetic subsystem.

  19. Synthesis and characterization of a new nonanuclear Ni(II) cluster from a pyridyl-alcohol ligand.

    Science.gov (United States)

    Massard, Alexandre; Rogez, Guillaume; Braunstein, Pierre

    2014-01-07

    The reaction of one equivalent of 2-methyl-1-(pyridin-2-yl)propan-2-ol (HL) with two equivalents of [Ni(OAc)2·4H2O] in methanol afforded the nonanuclear coordination cluster [Ni9(HL-κ(2)N,O)4(OAc-κ(2)O)2(μ2-OAc-κ(1)O)2(μ2-OAc-κ(2)O,O')4(μ3-OAc-κ(2)O;κ(2)O,O')2(μ3-OMe)8] (1). All nickel ions are hexacoordinated and show a slightly distorted octahedral coordination geometry. This unusual centrosymmetric coordination cluster can be described as constituted by two cubane moieties connected by a linker comprising a nickel atom, situated on the inversion centre, four bridging acetates and two triply-bridging acetates. Each cubane contains four Ni(II) centres and four triply-bridging methoxide anions, two of the Ni(II) centres are N,O-chelated by the ligand HL, another Ni(II) is chelated by an acetate ligand and the fourth Ni(II) centre is connected to the exo-cubane Ni(II) through three acetate ligands which each have a different bonding mode: μ2-κ(2)O,O', μ2-κ(1)O, and μ3-κ(1)O;κ(2)O,O'. The magnetic and catalytic properties for ethylene oligomerization of the unusual complex have been investigated.

  20. Spatial cluster modelling

    CERN Document Server

    Lawson, Andrew B

    2002-01-01

    Research has generated a number of advances in methods for spatial cluster modelling in recent years, particularly in the area of Bayesian cluster modelling. Along with these advances has come an explosion of interest in the potential applications of this work, especially in epidemiology and genome research. In one integrated volume, this book reviews the state-of-the-art in spatial clustering and spatial cluster modelling, bringing together research and applications previously scattered throughout the literature. It begins with an overview of the field, then presents a series of chapters that illuminate the nature and purpose of cluster modelling within different application areas, including astrophysics, epidemiology, ecology, and imaging. The focus then shifts to methods, with discussions on point and object process modelling, perfect sampling of cluster processes, partitioning in space and space-time, spatial and spatio-temporal process modelling, nonparametric methods for clustering, and spatio-temporal ...

  1. Electron localization in water clusters

    International Nuclear Information System (INIS)

    Landman, U.; Barnett, R.N.; Cleveland, C.L.; Jortner, J.

    1987-01-01

    Electron attachment to water clusters was explored by the quantum path integral molecular dynamics method, demonstrating that the energetically favored localization mode involves a surface state of the excess electron, rather than the precursor of the hydrated electron. The cluster size dependence, the energetics and the charge distribution of these novel electron-cluster surface states are explored. 20 refs., 2 figs., 1 tab

  2. Identification and Characterization of Mycoplasma feriruminatoris sp. nov. Strains Isolated from Alpine Ibex: A 4th Species in the Mycoplasma mycoides Cluster Hosted by Non-domesticated Ruminants?

    Directory of Open Access Journals (Sweden)

    Chloé Ambroset

    2017-05-01

    Full Text Available The genus Mycoplasma, a group of free-living, wall-less prokaryotes includes more than 100 species of which dozens are primary pathogens of humans and domesticated animals. Mycoplasma species isolated from wildlife are rarely investigated but could provide a fuller picture of the evolutionary history and diversity of this genus. In 2013 several isolates from wild Caprinae were tentatively assigned to a new species, Mycoplasma (M. feriruminatoris sp. nov., characterized by an unusually rapid growth in vitro and close genetic proximity to ruminant pathogenic species. We suspected that atypical isolates recently collected from Alpine ibex in France belonged to this new species. The present study was undertaken to verify this hypothesis and to further characterize the French ibex isolates. Phylogenetic analyses were performed to identify the isolates and position them in trees containing several other mycoplasma species pathogenic to domesticated ruminants. Population diversity was characterized by genomic macrorestriction and by examining the capacity of different strains to produce capsular polysaccharides, a feature now known to vary amongst mycoplasma species pathogenic to ruminants. This is the first report of M. feriruminatoris isolation from Alpine ibex in France. Phylogenetic analyses further suggested that M. feriruminatoris might constitute a 4th species in a genetic cluster that so far contains only important ruminant pathogens, the so-called Mycoplasma mycoides cluster. A PCR assay for specific identification is proposed. These French isolates were not clonal, despite being collected in a restricted region of the Alps, which signifies a considerable diversity of the new species. Strains were able to concomitantly produce two types of capsular polysaccharides, β-(1→6-galactan and β-(1→6-glucan, with variation in their respective ratio, a feature never before described in mycoplasmas.

  3. Response to state comments on the draft regional characterization reports for the Crystalline Repository Project

    International Nuclear Information System (INIS)

    1984-11-01

    In May, 1983, the US Department of Energy (DOE) Crystalline Repository Project Office (CPO) issued six draft Regional Characterization Reports (RCRs) for review and comment to the 17 Crystalline States comprising the Northeastern, Southeastern, and North Central crystalline regions. Comment letters were received from 13 of the 17 states. The more than 2000 comments generally focused on the quality and content of the characterization reports and on their intended use in region-to-area screening. These comments were paraphrased and grouped into 23 subjects within the following four topical areas: (1) General and Programmatic; (2) Geologic; (3) Environmental and Socioeconomic; and (4) Editorial. This document provides responses to the comments submitted by the states

  4. Wandering off the centre: a characterization of the random motion of intermediate-mass black holes in star clusters

    Science.gov (United States)

    de Vita, Ruggero; Trenti, Michele; MacLeod, Morgan

    2018-04-01

    Despite recent observational efforts, unequivocal signs for the presence of intermediate-mass black holes (IMBHs) in globular clusters (GCs) have not been found yet. Especially when the presence of IMBHs is constrained through dynamical modelling of stellar kinematics, it is fundamental to account for the displacement that the IMBH might have with respect to the GC centre. In this paper, we analyse the IMBH wandering around the stellar density centre using a set of realistic direct N-body simulations of star cluster evolution. Guided by the simulation results, we develop a basic yet accurate model that can be used to estimate the average IMBH radial displacement (〈rbh〉) in terms of structural quantities as the core radius (rc), mass (Mc), and velocity dispersion (σc), in addition to the average stellar mass (mc) and the IMBH mass (Mbh). The model can be expressed by the equation /r_c=A(m_c/M_bh)^α [σ _c^2r_c/(GM_c)]^β, in which the free parameters A, α, and β are calculated through comparison with the numerical results on the IMBH displacement. The model is then applied to Galactic GCs, finding that for an IMBH mass equal to 0.1 per cent of the GC mass, the typical expected displacement of a putative IMBH is around 1 arcsec for most Galactic GCs, but IMBHs can wander to larger angular distances in some objects, including a prediction of a 2.5 arcsec displacement for NGC 5139 (ω Cen), and >10 arcsec for NGC5053, NGC6366, and ARP2.

  5. Characterization of the low-lying 0$^{+}$ and 2$^{+}$ states of $^{68}$ Ni

    CERN Multimedia

    Recently, a number of low-lying low-spin states have been firmly identified in $^{68}$Ni; the position of the first excited state (which is a 0$^{+}$ state), the spin and parity of the second excited 0$^{+}$ state and the spin and parity of the second and third 2$^+$ states have been fixed. The identification of these three pairs of 0$^+$ and 2$^+$ states in $^{68}$Ni (Z=28 and N=40) forms ideal tests to validate shell-model calculations and the effective interactions developed for the nickel region but also hints to triple shape coexistence including even strongly deformed structures. The aim of this proposal is to collect detailed spectroscopic data of the low-spin states of $^{68}$Ni (Z=28, N=40) in order to characterize these triple pairs of 0$^+$ and 2$^+$ states. $\\gamma$-branching ratios of the 0$^+$ and 2$^+$ states and the E0 transition strengths as well as the E2 transition rate of the 0$_3^+$ will be obtained using the new ISOLDE decay station that is constructed from an efficient array of germaniu...

  6. (C7H7NO4Mo)n: Synthesis, characterization and thermal stability of a new oxo-bridged helical-1D-polymer cluster

    Science.gov (United States)

    Pathak, Sayantan; Jana, Barun; Ghosh, Mithun K.; Ghorai, Tanmay K.

    2017-12-01

    A new look of helical-1D-polymeric cluster of molybdenum (C7H7NO4Mo)n (1) is herein reported. The one dimensional polymeric molybdenum cluster was generated from a mixture of Na2MoO4, 2, 6-pyridinedimethanol (pdm), RuCl3 and chloroacetic acid in methanol. Single crystal X-ray diffraction study of the isolated crystal shows that it is a μ2-oxo bridged 1D-Polymer assembly of molybdenum pdm2- complex where the nitrogen atom, two de-protonated 'O' atoms of the pdm2- ligand are connected to the central metal atoms. Furthermore, terminally connected double bonded 'O' atoms fulfilled the distorted octahedral environment of the metal atoms. In addition, BVS calculations show that Mo atoms are exists in +VI oxidation state in complex 1. The oxidation state of the metal atoms is further confirmed from the cyclic voltammogram. FT-IR spectroscopy and elemental analysis of the isolated crystals further supports the functional group attached to the periphery of the metal ion. Thermal gravimetric analysis of complex 1 confirms the thermodynamic stability of the polymer up to 190 °C.

  7. Characterization of a high efficiency optical memory for the storage of quantum light states

    Science.gov (United States)

    Kupchak, Connor; Thomas, Ryan; Lvovsky, Alex

    2012-06-01

    We have developed a coherent optical storage device based on a Gradient Echo Memory scheme showing efficiencies of above 65%. The memory is realized in a warm vapor of ^87Rb atoms utilizing a λ-type energy level scheme. We use a co-propagating, co-rotating circular polarized pump beam coupled with pulsed coherent states to create an off-resonant Raman absorption line suitable for storage. Through sufficient filtration of the strong pump field, the stored light pulse is retrieved after a desired time and subjected to time-domain homodyne tomography. By repeating this sequence on an ensemble of 50 000 identical coherent states we gain enough information to completely reconstruct the quantum state of light retrieved from the memory. Furthermore, by repeating this characterization for a set of coherent states with at sufficient range of amplitudes we can completely characterize the memory process itself. This is possible by implementing a method devised by our group called coherent state Quantum Process Tomography which also has the capability to predict how well the memory will perform on any arbitrary quantum input state. We show our current storage efficiencies and what needs to be further done to demonstrate a true high efficiency, quantum optical memory.

  8. Universal state-selective corrections to multi-reference coupled-cluster theories with single and double excitations

    Czech Academy of Sciences Publication Activity Database

    Brabec, Jiří; van Dam, H. J. J.; Pittner, Jiří; Kowalski, K.

    2012-01-01

    Roč. 136, č. 12 (2012), s. 124102 ISSN 0021-9606 R&D Projects: GA ČR GAP208/11/2222 Institutional research plan: CEZ:AV0Z40400503 Keywords : configuration interactions * coupled cluster calculations * relativistic corrections Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.164, year: 2012

  9. Towards large-scale calculations with State-Specific Multireference Coupled Cluster methods: Studies on dodecane, naphthynes, and polycarbenes

    Czech Academy of Sciences Publication Activity Database

    Brabec, Jiří; Bhaskaran-Neir, K.; Kowalski, K.; Pittner, Jiří; van Dam, H. J. J.

    2012-01-01

    Roč. 542, 23 July (2012), s. 128-133 ISSN 0009-2614 R&D Projects: GA ČR GAP208/11/2222 Institutional support: RVO:61388955 Keywords : multireference Coupled Cluster (MRCC) methods * molecular systems * polycarbenes Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.145, year: 2012

  10. Characterization of the raw-materials used in ceramic tiles in the state of Paraiba - Brazil

    International Nuclear Information System (INIS)

    Marinho, Rosa Maria; Pontes, Luiz Renato de; Lira, Belarmino B.

    1997-01-01

    Knowledge of physical, chemical and mineralogical properties of ceramics basic materials may provide valuable information for their proper application. This work searches for characterization of basic materials (plastic and not plastic) used for optimization of ceramic tiles, classified as monoporosa production in Paraiba State. The further study will be conducted on basis of ceramic material characterization in order to develop a new mass for production of ceramic tiles. The study will be done on basis of X-ray diffraction, chemical, physical and mineralogical analysis. (author)

  11. Hierarchical Structure and Molecular Dynamics of Metal-Organic Framework as Characterized by Solid State NMR

    Directory of Open Access Journals (Sweden)

    Wei Chen

    2016-01-01

    Full Text Available Metal-organic framework (MOF stands out as a promising material with great potential in application areas, such as gas separation and catalysis, due to its extraordinary properties. In order to fully characterize the structure of MOFs, especially those without single crystal, Solid State NMR (SSNMR is an indispensable tool. As a complimentary analytical technique to X-ray diffraction, SSNMR could provide detailed atomic level structure information. Meanwhile, SSNMR can characterize molecular dynamics over a wide dynamics range. In this review, selected applications of SSNMR on various MOFs are summarized and discussed.

  12. New symmetry of the cluster model

    Science.gov (United States)

    Gai, Moshe

    2015-10-01

    A new approach to clustering in the frame of the Algebraic Cluster Model (ACM) has been developed. It predicts rotation-vibration structure with rotational band of an oblate equilateral triangular spinning top with a 𝒟3h symmetry characterized by the sequence of states: 0+, 2+, 3-, 4±, 5- with almost degenerate 4+ and 4- (parity doublet) states. Our measurement of the new 22+ and the measured of the new 5- state in 12C fit very well to the predicted (ground state) rotational band structure with the sequence of states: 0+, 2+, 3-, 4±, 5- with almost degenerate 4+ and 4- (parity doublet) states. Such a 𝒟3h symmetry was observed in triatomic molecules, and it is observed in 12C for the first time in nuclear physics. We discuss a classification of other rotation-vibration bands in 12C such as the (0+) Hoyle band and the (1-) bending mode band and suggest measurements in search of the predicted ("missing") states that may shed new light on clustering in 12C and light nuclei. In particular, the observation (or non observation) of the predicted ("missing") states in the Hoyle band will allow us to conclude the geometrical arrangement of the three alpha particles composing the Hoyle state at 7.654 MeV in 12C.

  13. Cluster knockout reactions

    Indian Academy of Sciences (India)

    2014-04-07

    Apr 7, 2014 ... advancements in the area of (α, 2α) reactions and heavy cluster knockout reactions are discussed. Importance of the finite-range vertex and the final-state interactions are brought out. Keywords. Cluster knockout reactions; FR-DWIA calculations; t-matrix effective interaction. PACS Nos 14.20.Pt; 24.10.

  14. Alpha clustering in nuclei

    International Nuclear Information System (INIS)

    Hodgson, P.E.

    1990-01-01

    The effects of nucleon clustering in nuclei are described, with reference to both nuclear structure and nuclear reactions, and the advantages of using the cluster formalism to describe a range of phenomena are discussed. It is shown that bound and scattering alpha-particle states can be described in a unified way using an energy-dependent alpha-nucleus potential. (author)

  15. Structural and Functional Characterization of an Archaeal Clustered Regularly Interspaced Short Palindromic Repeat (CRISPR)-associated Complex for Antiviral Defense (CASCADE)

    DEFF Research Database (Denmark)

    Lintner, Nathanael G; Kerou, Melina; Brumfield, Susan K

    2011-01-01

    In response to viral infection, many prokaryotes incorporate fragments of virus-derived DNA into loci called clustered regularly interspaced short palindromic repeats (CRISPRs). The loci are then transcribed, and the processed CRISPR transcripts are used to target invading viral DNA and RNA....... The Escherichia coli "CRISPR-associated complex for antiviral defense" (CASCADE) is central in targeting invading DNA. Here we report the structural and functional characterization of an archaeal CASCADE (aCASCADE) from Sulfolobus solfataricus. Tagged Csa2 (Cas7) expressed in S. solfataricus co-purifies with Cas5......a-, Cas6-, Csa5-, and Cas6-processed CRISPR-RNA (crRNA). Csa2, the dominant protein in aCASCADE, forms a stable complex with Cas5a. Transmission electron microscopy reveals a helical complex of variable length, perhaps due to substoichiometric amounts of other CASCADE components. A recombinant Csa2...

  16. Estimation of the average aromatic cluster size based on solid-state NMR; Sekitan no kotai NMR sokutei ni yoru hokozoku kurasuta heikin saizu no suitei

    Energy Technology Data Exchange (ETDEWEB)

    Kidena, K.; Murata, S.; Nomura, M. [Osaka Univ., Osaka (Japan) Department of Molecular Chemistry; Artok, L. [Izmir Inst. of Tech., Imzir (Turkey)

    1999-11-20

    Measurements of solid-state NMR of eight Argonne Premium Coal Samples were conducted to estimate the average aromatic cluster size in these coals. Firstly, the carbon distribution was obtained from SPE/MAS {sup 13}C-NMR. Secondary, {sup 1}H-CRAMPS NMR spectra gave the hydrogen aromaticity of coal. Combination use of the hydrogen aromaticity and elemental analysis data could afford the amount of tertiary aromatic carbon. The parameter of X{sub b}, the mole fraction of aromatic bridgehead carbons in all aromatic carbons, could be derived from above NMR data and elemental analysis of coal. X{sub b} is directly correlated to the number of aromatic carbon atoms per aromatic cluster, C. In this study, the value of C varied from 10 (corresponding to the size of naphthalene) for Beulah-Zap and Wyodak coals to 23 (corresponding to the size of coronene) for Pocahontas No.3 coal. (author)

  17. Characterization of silicon surface states at clean and copper contaminated condition via transient capacitance measurement

    Science.gov (United States)

    Song, Lihui; Xie, Meng; Yu, Xuegong; Yang, Deren

    2017-10-01

    Silicon surface is one of the dominant recombination sites for silicon solar cells. Generally, the recombination ability of silicon surface is characterized in terms of surface recombination velocity. However, silicon surface actually contain a series of donor and acceptor levels across the silicon band gap, and therefore the surface recombination velocity is too general to provide detailed information of the silicon surface states. In this paper, we used the measured transient capacitance data to extract the detailed information (like defect energy levels, defect densities, and capture cross sections) of the silicon surface states. Furthermore, the influence of copper contamination on silicon surface states was examined, and it was found that copper contamination can change the localized energy levels of "clean" silicon surface states to the band-like energy levels, meanwhile the defect densities and capture cross sections were both enlarged.

  18. Two local observables are sufficient to characterize maximally entangled states of N qubits

    Science.gov (United States)

    Yan, Fengli; Gao, Ting; Chitambar, Eric

    2011-02-01

    Maximally entangled states (MES) represent a valuable resource in quantum information processing. In N-qubit systems the MES are N-GHZ states [i.e., the collection of |GHZN>=(1)/(2)(|00…0>+|11…1>)] and its local unitary (LU) equivalences. While it is well known that such states are uniquely stabilized by N commuting observables, in this article we consider the minimum number of noncommuting observables needed to characterize an N-qubit MES as the unique common eigenstate. Here, we prove, rather surprisingly, that in this general case any N-GHZ state can be uniquely stabilized by only two observables. Thus, for the task of MES certification, only two correlated measurements are required with each party observing the spin of his or her system along one of two directions.

  19. Identification and characterization of a new erythromycin biosynthetic gene cluster in Actinopolyspora erythraea YIM90600, a novel erythronolide-producing halophilic actinomycete isolated from salt field.

    Directory of Open Access Journals (Sweden)

    Dandan Chen

    Full Text Available Erythromycins (Ers are clinically potent macrolide antibiotics in treating pathogenic bacterial infections. Microorganisms capable of producing Ers, represented by Saccharopolyspora erythraea, are mainly soil-dwelling actinomycetes. So far, Actinopolyspora erythraea YIM90600, a halophilic actinomycete isolated from Baicheng salt field, is the only known Er-producing extremophile. In this study, we have reported the draft genome sequence of Ac. erythraea YIM90600, genome mining of which has revealed a new Er biosynthetic gene cluster encoding several novel Er metabolites. This Er gene cluster shares high identity and similarity with the one of Sa. erythraea NRRL2338, except for two absent genes, eryBI and eryG. By correlating genotype and chemotype, the biosynthetic pathways of 3'-demethyl-erythromycin C, erythronolide H (EH and erythronolide I have been proposed. The formation of EH is supposed to be sequentially biosynthesized via C-6/C-18 epoxidation and C-14 hydroxylation from 6-deoxyerythronolide B. Although an in vitro enzymatic activity assay has provided limited evidence for the involvement of the cytochrome P450 oxidase EryFAc (derived from Ac. erythraea YIM90600 in the catalysis of a two-step oxidation, resulting in an epoxy moiety, the attempt to construct an EH-producing Sa. erythraea mutant via gene complementation was not successful. Characterization of EryKAc (derived from Ac. erythraea YIM90600 in vitro has confirmed its unique role as a C-12 hydroxylase, rather than a C-14 hydroxylase of the erythronolide. Genomic characterization of the halophile Ac. erythraea YIM90600 will assist us to explore the great potential of extremophiles, and promote the understanding of EH formation, which will shed new insights into the biosynthesis of Er metabolites.

  20. Temporal variation of aftershocks by means of multifractal characterization of their inter-event time and cluster analysis

    Science.gov (United States)

    Figueroa-Soto, A.; Zuñiga, R.; Marquez-Ramirez, V.; Monterrubio-Velasco, M.

    2017-12-01

    . The inter-event time characteristics of seismic aftershock sequences can provide important information to discern stages in the aftershock generation process. In order to investigate whether separate dynamic stages can be identified, (1) aftershock series after selected earthquake mainshocks, which took place at similar tectonic regimes were analyzed. To this end we selected two well-defined aftershock sequences from New Zealand and one aftershock sequence for Mexico, we (2) analyzed the fractal behavior of the logarithm of inter-event times (also called waiting times) of aftershocks by means of Holdeŕs exponent, and (3) their magnitude and spatial location based on a methodology proposed by Zaliapin and Ben Zion [2011] which accounts for the clustering properties of the sequence. In general, more than two coherent process stages can be identified following the main rupture, evidencing a type of "cascade" process which precludes implying a single generalized power law even though the temporal rate and average fractal character appear to be unique (as in a single Omorís p value). We found that aftershock processes indeed show multi-fractal characteristics, which may be related to different stages in the process of diffusion, as seen in the temporary-spatial distribution of aftershocks. Our method provides a way of defining the onset of the return to seismic background activity and the end of the main aftershock sequence.

  1. Synthesis, structure characterization, DNA binding, and cleavage properties of mononuclear and tetranuclear cluster of copper(II) complexes.

    Science.gov (United States)

    Vafazadeh, Rasoul; Hasanzade, Naime; Heidari, Mohammad Mehdi; Willis, Anthony C

    2015-01-01

    Two copper(II) complexes, cluster 1, and mononuclear 2, have been synthesized by reacting acetylacetone and benzohydrazide (1:1 ratio for 1 and 1:2 ratio for 2) with CuCl(2) in a methanol solution. In 2, which is a new complex, the ligand acts as a tetradentate which binds the metal ion via two amide-O atoms and two imine-N atoms providing an N(2)O(2) square-planar around the copper(II) ion. The absorption spectra data evidence strongly suggested that the two copper(II) compounds could interact with CT-DNA (intrinsic binding constant, K(b) = 0.45×10(4) M-1 for 1 and K(b) = 2.39×10(4) M-1 for 2). The super coiled plasmid pBR322 DNA cleavage ability was studied with 1 and 2 in the presence and absence of H(2)O(2) as an oxidant. In both the absence and the presence of an oxidizing agent, complex 2 exhibited no nuclease activity. However, even in the absence of an oxidant, complex 1 exhibited significant DNA cleavage activity.

  2. Characterizing the Spatio-Temporal Pattern of Land Surface Temperature through Time Series Clustering: Based on the Latent Pattern and Morphology

    Directory of Open Access Journals (Sweden)

    Huimin Liu

    2018-04-01

    Full Text Available Land Surface Temperature (LST is a critical component to understand the impact of urbanization on the urban thermal environment. Previous studies were inclined to apply only one snapshot to analyze the pattern and dynamics of LST without considering the non-stationarity in the temporal domain, or focus on the diurnal, seasonal, and annual pattern analysis of LST which has limited support for the understanding of how LST varies with the advancing of urbanization. This paper presents a workflow to extract the spatio-temporal pattern of LST through time series clustering by focusing on the LST of Wuhan, China, from 2002 to 2017 with a 3-year time interval with 8-day MODerate-resolution Imaging Spectroradiometer (MODIS satellite image products. The Latent pattern of LST (LLST generated by non-parametric Multi-Task Gaussian Process Modeling (MTGP and the Multi-Scale Shape Index (MSSI which characterizes the morphology of LLST are coupled for pattern recognition. Specifically, spatio-temporal patterns are discovered after the extraction of spatial patterns conducted by the incorporation of k -means and the Back-Propagation neural networks (BP-Net. The spatial patterns of the 6 years form a basic understanding about the corresponding temporal variances. For spatio-temporal pattern recognition, LLSTs and MSSIs of the 6 years are regarded as geo-referenced time series. Multiple algorithms including traditional k -means with Euclidean Distance (ED, shape-based k -means with the constrained Dynamic Time Warping ( c DTW distance measure, and the Dynamic Time Warping Barycenter Averaging (DBA centroid computation method ( k - c DBA and k -shape are applied. Ten external indexes are employed to evaluate the performance of the three algorithms and reveal k - c DBA as the optimal time series clustering algorithm for our study. The study area is divided into 17 geographical time series clusters which respectively illustrate heterogeneous temporal dynamics of LST

  3. Solid State Characterizations of Long-Term Leached Cast Stone Monoliths

    Energy Technology Data Exchange (ETDEWEB)

    Asmussen, Robert M.; Pearce, Carolyn I.; Parker, Kent E.; Miller, Brian W.; Lee, Brady D.; Buck, Edgar C.; Washton, Nancy M.; Bowden, Mark E.; Lawter, Amanda R.; McElroy, Erin M.; Serne, R Jeffrey

    2016-09-30

    This report describes the results from the solid phase characterization of six Cast Stone monoliths from the extended leach tests recently reported on (Serne et al. 2016),that were selected for characterization using multiple state-of-the-art approaches. The Cast Stone samples investigated were leached for > 590 d in the EPA Method 1315 test then archived for > 390 d in their final leachate. After reporting the long term leach behavior of the monoliths (containing radioactive 99Tc and stable 127I spikes and for original Westsik et al. 2013 fabricated monoliths, 238U), it was suggested that physical changes to the waste forms and a depleting inventory of contaminants of potential concern may mean that effective diffusivity calculations past 63 d should not be used to accurately represent long-term waste form behavior. These novel investigations, in both length of leaching time and application of solid state techniques, provide an initial arsenal of techniques which can be utilized to perform such Cast Stone solid phase characterization work, which in turn can support upcoming performance assessment maintenance. The work was performed at Pacific Northwest National Laboratory (PNNL) for Washington River Protection Solutions (WRPS) to characterize several properties of the long- term leached Cast Stone monolith samples.

  4. Cluster expansion of the wavefunction. Calculation of electron correlations in ground and excited states by SAC and SAC CI theories

    International Nuclear Information System (INIS)

    Nakatsuji, H.

    1979-01-01

    The SAC and SAC CI theories are formulated for actual calculations of singlet ground states and their excited states of arbitrary spin multiplicity. Approximations are considered for the variational methods since time-consuming terms are involved. The results of test calculations for singlet states have shown, with much smaller numbers of variables (sizes of the matrices involved), excellent agreement with the full CI and close-to-full CI results. This shows the utility of the SAC theory for ground states and especially of the SAC CI theory for excited states, since the slow convergence of the CI theory is much more critical for excited states than for ground states. (Auth.)

  5. A generalized Lyapunov theory for robust root clustering of linear state space models with real parameter uncertainty

    Science.gov (United States)

    Yedavalli, R. K.

    1992-01-01

    The problem of analyzing and designing controllers for linear systems subject to real parameter uncertainty is considered. An elegant, unified theory for robust eigenvalue placement is presented for a class of D-regions defined by algebraic inequalities by extending the nominal matrix root clustering theory of Gutman and Jury (1981) to linear uncertain time systems. The author presents explicit conditions for matrix root clustering for different D-regions and establishes the relationship between the eigenvalue migration range and the parameter range. The bounds are all obtained by one-shot computation in the matrix domain and do not need any frequency sweeping or parameter gridding. The method uses the generalized Lyapunov theory for getting the bounds.

  6. Comprehensive characterization of all-solid-state thin films commercial microbatteries by Electrochemical Impedance Spectroscopy

    Science.gov (United States)

    Larfaillou, S.; Guy-Bouyssou, D.; le Cras, F.; Franger, S.

    2016-07-01

    Constant miniaturization of electronic devices opens the way to the development of thin film microbatteries (TFB). For this type of devices, the use of an all-solid-state thin film technology has many advantages over conventional lithium cells. These microbatteries are thin, bendable and can be produced with a customizable shape for integration in microelectronic devices. Moreover, without liquid electrolyte, they are safer. With the aim to support the industrial production of these TFBs, adequate tools for understanding the electrochemical behavior of the complete microbattery and the identification of their possible failures that can occur have to be developed. In this context, the Electrochemical Impedance Spectroscopy seems to be a good compromise for cells characterization. Widely used for the characterization of liquid electrolyte-based batteries, this technique has been less applied to all solid state batteries, mainly because of the difficulty to work with a two-electrode system. There has been no comprehensive study deeply explaining the impedance evolution during the entire life of a microbattery. In this paper, physical characterizations of individual active materials and aging experiments have been performed in order to undoubtedly assign each EIS contributions, and to propose a more comprehensive electrical model for this family of commercial all-solid-state microbatteries.

  7. Clustering of carboxylated magnetite nanoparticles through polyethylenimine: Covalent versus electrostatic approach

    Energy Technology Data Exchange (ETDEWEB)

    Tóth, Ildikó Y., E-mail: Ildiko.Toth@chem.u-szeged.hu [Department of Physical Chemistry and Materials Science, University of Szeged, Aradi vt. square 1, Szeged (Hungary); Nesztor, Dániel [Department of Physical Chemistry and Materials Science, University of Szeged, Aradi vt. square 1, Szeged (Hungary); Novák, Levente [Department of Colloid and Environmental Chemistry, University of Debrecen, Egyetem square 1, Debrecen (Hungary); Illés, Erzsébet; Szekeres, Márta; Szabó, Tamás [Department of Physical Chemistry and Materials Science, University of Szeged, Aradi vt. square 1, Szeged (Hungary); Tombácz, Etelka, E-mail: tombacz@chem.u-szeged.hu [Department of Physical Chemistry and Materials Science, University of Szeged, Aradi vt. square 1, Szeged (Hungary)

    2017-04-01

    Carboxylated magnetite nanoparticles (MNPs) are frequently used to develop materials with enhanced properties for MRI and hyperthermia. The controlled clustering of MNPs via covalent or electrostatic approaches provides opportunity to prepare high quality materials. MNPs were prepared by co-precipitation and coated by poly(acrylic acid-co-maleic acid) (PAM@MNP). The clusters were synthesized from purified PAM@MNPs and polyethylenimine (PEI) solution via electrostatic interaction and covalent bond formation (ES-cluster and CB-cluster, respectively). The electrostatic adhesion (–NH{sub 3}{sup +} and –COO{sup –}) and the formed amide bond were confirmed by ATR-FTIR. The averaged area of CB-clusters was about twice as large as that of ES-cluster, based on TEM. The SAXS results showed that the surface of MNPs was smooth and the nanoparticles were close packed in both clusters. The pH-dependent aggregation state and zeta potential of clusters were characterized by DLS and electrophoresis measurements, the clusters were colloidally stable at pH>5. In hyperthermia experiments, the values of SAR were about two times larger for the chemically bonded cluster. The MRI studies showed exceptionally high transversion relaxivities, the r{sub 2} values are 457 mM{sup −1} s{sup −1} and 691 mM{sup −1} s{sup −1} for ES-cluster and CB-cluster, respectively. Based on these results, the chemically clustered product shows greater potential for feasible biomedical applications. - Highlights: • Chemically bonded clusters (CB-cluster) were prepared from PEI and PAM-coated MNPs. • The electrostatically clustered units (ES-cluster) are smaller and more compact. • The electrostatic adhesion and the amide bond formation were confirmed by ATR-FTIR. • CB-cluster dispersions are colloidally stable under physiological conditions. • CB-cluster shows great potential for application in MRI and hyperthermia.

  8. Characterization of the clustered regularly interspaced short palindromic repeats sites in Streptococcus mutans isolated from early childhood caries patients.

    Science.gov (United States)

    Chen, Jing; Li, Tiancheng; Zhou, Xuedong; Cheng, Lei; Huo, Yuanyuan; Zou, Jing; Li, Yuqing

    2017-11-01

    The aim of this study was to analyze the characteristics of the clustered regularly interspaced short palindromic repeats (CRISPR) sites in 45 clinical Streptococcus mutans strains and their relationship to the clinical manifestations of early childhood caries (ECC). Forty-five S. mutans strains were isolated from the plaque samples taken from sixty-three children. CRISPR sites were sequenced and BLAST was used to compare these sites to those in the CRISPRTarget database. The association between the distribution of CRISPR sites and the manifestation of caries was analyzed by Chi-Square test. Further, biofilm formation (by crystal violet staining) and the synthesis of polysaccharide (by anthrone-sulfuric method) of all clinical isolated S. mutans strains with both CRISPR sites and no CRISPR site were comapared. Finally, acidogenicity and acidurity of two typical strains were determined using pH drop and acid tolerance assays. Biofilm formation and EPS synthesis by two typical strains were compared by 3D CLSM (Confocal Laser Scanning Microscope) assays and the expression of gtf genes were evaluated using qPCR. We found that most of the spacers in the clinical S. mutans strains were derived from Streptococcus phages APCM01 and M102. The number of CRISPR sites in these strains was associated with the clinical manifestations of ECC. Moreover, we found that the biofilm formation and EPS synthesis ability of the S. mutans strains with both CRISPR sites was significant improved. An association was found between the distribution of CRISPR sites and the clinical manifestations of caries. The CRISPR sites might contribute to the cariogenic potential of S. mutans. Copyright © 2017 Elsevier Ltd. All rights reserved.

  9. Dispersed Benzoxazinone Gene Cluster: Molecular Characterization and Chromosomal Localization of Glucosyltransferase and Glucosidase Genes in Wheat and Rye1[W

    Science.gov (United States)

    Sue, Masayuki; Nakamura, Chihiro; Nomura, Taiji

    2011-01-01

    Benzoxazinones (Bxs) are major defensive secondary metabolites in wheat (Triticum aestivum), rye (Secale cereale), and maize (Zea mays). Here, we identified full sets of homeologous and paralogous genes encoding Bx glucosyltransferase (GT) and Bx-glucoside glucosidase (Glu) in hexaploid wheat (2n = 6x = 42; AABBDD). Four GT loci (TaGTa–TaGTd) were mapped on chromosomes 7A, 7B (two loci), and 7D, whereas four glu1 loci (Taglu1a–Taglu1d) were on chromosomes 2A, 2B (two loci), and 2D. Transcript levels differed greatly among the four loci; B-genome loci of both TaGT and Taglu1 genes were preferentially transcribed. Catalytic properties of the enzyme encoded by each homeolog/paralog also differed despite high levels of identity among amino acid sequences. The predominant contribution of the B genome to GT and Glu reactions was revealed, as observed previously for the five Bx biosynthetic genes, TaBx1 to TaBx5, which are separately located on homeologous groups 4 and 5 chromosomes. In rye, where the ScBx1 to ScBx5 genes are dispersed to chromosomes 7R and 5R, ScGT and Scglu were located separately on chromosomes 4R and 2R, respectively. The dispersal of Bx-pathway loci to four distinct chromosomes in hexaploid wheat and rye suggests that the clustering of Bx-pathway genes, as found in maize, is not essential for coordinated transcription. On the other hand, barley (Hordeum vulgare) was found to lack the orthologous GT and glu loci like the Bx1 to Bx5 loci despite its close phylogenetic relationship with wheat and rye. These results contribute to our understanding of the evolutionary processes that the Bx-pathway loci have undergone in grasses. PMID:21875895

  10. Dispersed benzoxazinone gene cluster: molecular characterization and chromosomal localization of glucosyltransferase and glucosidase genes in wheat and rye.

    Science.gov (United States)

    Sue, Masayuki; Nakamura, Chihiro; Nomura, Taiji

    2011-11-01

    Benzoxazinones (Bxs) are major defensive secondary metabolites in wheat (Triticum aestivum), rye (Secale cereale), and maize (Zea mays). Here, we identified full sets of homeologous and paralogous genes encoding Bx glucosyltransferase (GT) and Bx-glucoside glucosidase (Glu) in hexaploid wheat (2n = 6x = 42; AABBDD). Four GT loci (TaGTa-TaGTd) were mapped on chromosomes 7A, 7B (two loci), and 7D, whereas four glu1 loci (Taglu1a-Taglu1d) were on chromosomes 2A, 2B (two loci), and 2D. Transcript levels differed greatly among the four loci; B-genome loci of both TaGT and Taglu1 genes were preferentially transcribed. Catalytic properties of the enzyme encoded by each homeolog/paralog also differed despite high levels of identity among amino acid sequences. The predominant contribution of the B genome to GT and Glu reactions was revealed, as observed previously for the five Bx biosynthetic genes, TaBx1 to TaBx5, which are separately located on homeologous groups 4 and 5 chromosomes. In rye, where the ScBx1 to ScBx5 genes are dispersed to chromosomes 7R and 5R, ScGT and Scglu were located separately on chromosomes 4R and 2R, respectively. The dispersal of Bx-pathway loci to four distinct chromosomes in hexaploid wheat and rye suggests that the clustering of Bx-pathway genes, as found in maize, is not essential for coordinated transcription. On the other hand, barley (Hordeum vulgare) was found to lack the orthologous GT and glu loci like the Bx1 to Bx5 loci despite its close phylogenetic relationship with wheat and rye. These results contribute to our understanding of the evolutionary processes that the Bx-pathway loci have undergone in grasses.

  11. Investigation of the alpha cluster states in 22Ne through the transfer induced breakup reaction 12C (18O, 18O + α)8Be at E(18O) 94.5 MeV

    International Nuclear Information System (INIS)

    Adhikari, S.; Basu, C.; Mitra, A.K.; Behera, B.R.; Ray, S.; Kumar, Suresh; Chatterjee, A.

    2008-01-01

    The nucleus 22 Ne like 18 O and 20 Ne has been sparsely investigated experimentally for an 18 O + α cluster structure. Only one experiment has reported the 22 Ne alpha cluster states using the same reaction but a much higher energy. One other experiment also reported the states with a different target and the results of these experiments are different. Therefore the 22 Ne structure has been analyzed in this work

  12. Spectroscopy of particle-phonon coupled states in $^{133}$Sb by the cluster transfer reaction of $^{132}$Sn on $^{7}$Li

    CERN Multimedia

    We propose to investigate, with MINIBALL coupled to T-REX, the one-valence-proton $^{133}$Sb nucleus by the cluster transfer reaction of $^{132}$Sn on $^{7}$Li. The excited $^{133}$Sb will be populated by transfer of a triton into $^{132}$Sn, followed by the emission of an $\\alpha$-particle (detected in T-REX) and 2 neutrons. The aim of the experiment is to locate states arising from the coupling of the valence proton of $^{133}$Sb to the collective low-lying phonon excitations of $^{132}$Sn (in particular the 3$^−$). According to calculations in the weak-coupling approach, these states lie in the 4$\\, - \\,$5 MeV excitation energy region and in the spin interval 1/2$\\, - \\,$ 19/2, i.e., in the region populated by the cluster transfer reaction. The results will be used to perform advanced tests of different types of nuclear interactions, usually employed in the description of particle-phonon coupled excitations. States arising from couplings of the proton with simpler core excitations, involving few nucleons...

  13. Single-cluster dynamics for the random-cluster model

    NARCIS (Netherlands)

    Deng, Y.; Qian, X.; Blöte, H.W.J.

    2009-01-01

    We formulate a single-cluster Monte Carlo algorithm for the simulation of the random-cluster model. This algorithm is a generalization of the Wolff single-cluster method for the q-state Potts model to noninteger values q>1. Its results for static quantities are in a satisfactory agreement with those

  14. Characterization of a large deletion in the {beta}-globin gene cluster in a newborn with hemoglobin FE

    Energy Technology Data Exchange (ETDEWEB)

    Louie, E.; Dietz, L.; Shafer, F. [Children`s Hosptial, Oakland, CA (United States)] [and others

    1994-09-01

    A sample on a newborn with hemoglobin FE screen results was obtained to investigate whether E/E or B/{beta}{degrees} thalassemia was present using polymerase chain reaction (PCR) methodology. The newborn appeared homozygous for the hemoglobin E mutation in our initial study, but the parents` genotypes did not support this diagnosis. The father is homozygous for the absence of the hemoglobin E mutation (non E/non E) and the mother is heterozygous (E/non E) for this mutation. The limitation of PCR analysis is an assumption that the amplification of the two {beta}-globin alleles is equivalent. A large deletion on one {beta}-globin gene, which would produce E/{beta}{degrees} thalassemia, would be missed if it included part or the entire region subjected to amplification. The family results were consistent with either non-paternity, sample mix-up or such a deletion of the {beta}-globin gene in the father and child. To rule out the possibility of non-paternity, two polymorphic loci (HLA on chromosome 6 and a VNTR system of chromosome 17) that are outside of the {beta}-globin gene were analyzed and show that inheritance is consistent and the likelihood of a sample mix-up is then reduced. We therefore believe there is a gene deletion in this family. At the present time, analyses of the RFLPs that are 5{prime} of the {beta}-globin gene cluster show that the polymorphisms most distal from the 5{prime} {beta}-globin gene are not being inherited as expected. These results support our interpretation that a deletion exists in the father and was inherited by the child. The father`s clinical picture of possible HPFH (the father has 12% hemoglobin F) also supports the interpretation of a deletion in this family. Deletions of the {beta}-globin gene within this ethnic group are rare. Currently, Southern blots on the family are being probed to determine the extent of the putative deletion.

  15. Kinematic fingerprint of core-collapsed globular clusters

    Science.gov (United States)

    Bianchini, P.; Webb, J. J.; Sills, A.; Vesperini, E.

    2018-03-01

    Dynamical evolution drives globular clusters towards core collapse, which strongly shapes their internal properties. Diagnostics of core collapse have so far been based on photometry only, namely on the study of the concentration of the density profiles. Here, we present a new method to robustly identify core-collapsed clusters based on the study of their stellar kinematics. We introduce the kinematic concentration parameter, ck, the ratio between the global and local degree of energy equipartition reached by a cluster, and show through extensive direct N-body simulations that clusters approaching core collapse and in the post-core collapse phase are strictly characterized by ck > 1. The kinematic concentration provides a suitable diagnostic to identify core-collapsed clusters, independent from any other previous methods based on photometry. We also explore the effects of incomplete radial and stellar mass coverage on the calculation of ck and find that our method can be applied to state-of-art kinematic data sets.

  16. Kinematic fingerprint of core-collapsed globular clusters

    Science.gov (United States)

    Bianchini, P.; Webb, J. J.; Sills, A.; Vesperini, E.

    2018-01-01

    Dynamical evolution drives globular clusters toward core collapse, which strongly shapes their internal properties. Diagnostics of core collapse have so far been based on photometry only, namely on the study of the concentration of the density profiles. Here we present a new method to robustly identify core-collapsed clusters based on the study of their stellar kinematics. We introduce the kinematic concentration parameter, ck, the ratio between the global and local degree of energy equipartition reached by a cluster, and show through extensive direct N-body simulations that clusters approaching core collapse and in the post-core collapse phase are strictly characterized by ck > 1. The kinematic concentration provides a suitable diagnostic to identify core-collapsed clusters, independent from any other previous methods based on photometry. We also explore the effects of incomplete radial and stellar mass coverage on the calculation of ck and find that our method can be applied to state-of-art kinematic datasets.

  17. The quiescent state of the neutron-star X-ray transient GRS 1747-312 in the globular cluster Terzan 6

    Science.gov (United States)

    Vats, Smriti; Wijnands, Rudy; Parikh, Aastha S.; Ootes, Laura; Degenaar, Nathalie; Page, Dany

    2018-04-01

    We studied the transient neutron-star low-mass X-ray binary GRS 1747-312, located in the globular cluster Terzan 6, in its quiescent state after its outburst in August 2004, using an archival XMM-Newton observation. A source was detected in this cluster and its X-ray spectrum can be fitted with the combination of a soft, neutron-star atmosphere model and a hard, power-law model. Both contributed roughly equally to the observed 0.5-10 keV luminosity (˜4.8 × 1033 erg s-1). This type of X-ray spectrum is typically observed for quiescent neutron-star X-ray transients that are perhaps accreting in quiescence at very low rates. Therefore, if this X-ray source is the quiescent counterpart of GRS 1747-312, then this source is also accreting at low levels in-between outbursts. Since source confusion a likely problem in globular clusters, it is quite possible that part, if not all, of the emission we observed is not related to GRS 1747-312, and is instead associated with another source or conglomeration of sources in the cluster. Currently, it is not possible to determine exactly which part of the emission truly originates from GRS1747-312, and a Chandra observation (when no source is in outburst in Terzan 6) is needed to be conclusive. Assuming that the detected emission is due to GRS 1747-312, we discuss the observed results in the context of what is known about other quiescent systems. We also investigated the thermal evolution of the neutron-star in GRS 1747-312, and inferred that GRS 1747-312 can be considered a typical quiescent system under our assumptions.

  18. Self-assembly of a tetrahedral 58-nuclear barium vanadium oxide cluster.

    Science.gov (United States)

    Kastner, Katharina; Puscher, Bianka; Streb, Carsten

    2013-01-07

    We report the synthesis and characterization of a molecular barium vanadium oxide cluster featuring high nuclearity and high symmetry. The tetrameric, 2.3 nm cluster H(5)[Ba(10)(NMP)(14)(H(2)O)(8)[V(12)O(33)](4)Br] is based on a bromide-centred, octahedral barium scaffold which is capped by four previously unknown [V(12)O(33)](6-) clusters in a tetrahedral fashion. The compound represents the largest polyoxovanadate-based heterometallic cluster known to date. The cluster is formed in organic solution and it is suggested that the bulky N-methyl-2-pyrrolidone (NMP) solvent ligands allow the isolation of this giant molecule and prevent further condensation to a solid-state metal oxide. The cluster is fully characterized using single-crystal XRD, elemental analysis, ESI mass spectrometry and other spectroscopic techniques.

  19. Quantum model of a solid-state spin qubit: Ni cluster on a silicon surface by the generalized spin Hamiltonian and X-ray absorption spectroscopy investigations

    Energy Technology Data Exchange (ETDEWEB)

    Farberovich, Oleg V. [School of Physics and Astronomy, Beverly and Raymond Sackler Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978 (Israel); Research Center for Nanoscale Structure of Matter, Southern Federal University, Zorge 5, 344090 Rostov-on-Don (Russian Federation); Voronezh State University, Voronezh 394000 (Russian Federation); Mazalova, Victoria L., E-mail: mazalova@sfedu.ru [Research Center for Nanoscale Structure of Matter, Southern Federal University, Zorge 5, 344090 Rostov-on-Don (Russian Federation); Soldatov, Alexander V. [Research Center for Nanoscale Structure of Matter, Southern Federal University, Zorge 5, 344090 Rostov-on-Don (Russian Federation)

    2015-11-15

    We present here the quantum model of a Ni solid-state electron spin qubit on a silicon surface with the use of a density-functional scheme for the calculation of the exchange integrals in the non-collinear spin configurations in the generalized spin Hamiltonian (GSH) with the anisotropic exchange coupling parameters linking the nickel ions with a silicon substrate. In this model the interaction of a spin qubit with substrate is considered in GSH at the calculation of exchange integrals J{sub ij} of the nanosystem Ni{sub 7}–Si in the one-electron approach taking into account chemical bonds of all Si-atoms of a substrate (environment) with atoms of the Ni{sub 7}-cluster. The energy pattern was found from the effective GSH Hamiltonian acting in the restricted spin space of the Ni ions by the application of the irreducible tensor operators (ITO) technique. In this paper we offer the model of the quantum solid-state N-spin qubit based on the studying of the spin structure and the spin-dynamics simulations of the 3d-metal Ni clusters on the silicon surface. The solution of the problem of the entanglement between spin states in the N-spin systems is becoming more interesting when considering clusters or molecules with a spectral gap in their density of states. For quantifying the distribution of the entanglement between the individual spin eigenvalues (modes) in the spin structure of the N-spin system we use the density of entanglement (DOE). In this study we have developed and used the advanced high-precision numerical techniques to accurately assess the details of the decoherence process governing the dynamics of the N-spin qubits interacting with a silicon surface. We have studied the Rabi oscillations to evaluate the N-spin qubits system as a function of the time and the magnetic field. We have observed the stabilized Rabi oscillations and have stabilized the quantum dynamical qubit state and Rabi driving after a fixed time (0.327 μs). The comparison of the energy

  20. Characterization of the ground state dynamics of proteorhodopsin by NMR and optical spectroscopies

    International Nuclear Information System (INIS)

    Stehle, Jochen; Scholz, Frank; Löhr, Frank; Reckel, Sina; Roos, Christian; Blum, Michaela; Braun, Markus; Glaubitz, Clemens; Dötsch, Volker; Wachtveitl, Josef; Schwalbe, Harald

    2012-01-01

    We characterized the dynamics of proteorhodopsin (PR), solubilized in diC7PC, a detergent micelle, by liquid-state NMR spectroscopy at T = 323 K. Insights into the dynamics of PR at different time scales could be obtained and dynamic hot spots could be identified at distinct, functionally relevant regions of the protein, including the BC loop, the EF loop, the N-terminal part of helix F and the C-terminal part of helix G. We further characterize the dependence of the photocycle on different detergents (n-Dodecyl β-D-maltoside DDM; 1,2-diheptanoyl-sn-glycero-3-phosphocholine diC7PC) by ultrafast time-resolved UV/VIS spectroscopy. While the photocycle intermediates of PR in diC7PC and DDM exhibit highly similar spectral characteristics, significant changes in the population of these intermediates are observed. In-situ NMR experiments have been applied to characterize structural changes during the photocycle. Light-induced chemical shift changes detected during the photocycle in diC7PC are very small, in line with the changes in the population of intermediates in the photocycle of proteorhodopsin in diC7PC, where the late O-intermediate populated in DDM is missing and the population is shifted towards an equilibrium of intermediates states (M, N, O) without accumulation of a single populated intermediate.

  1. Clustering of carboxylated magnetite nanoparticles through polyethylenimine: Covalent versus electrostatic approach

    Science.gov (United States)

    Tóth, Ildikó Y.; Nesztor, Dániel; Novák, Levente; Illés, Erzsébet; Szekeres, Márta; Szabó, Tamás; Tombácz, Etelka

    2017-04-01

    Carboxylated magnetite nanoparticles (MNPs) are frequently used to develop materials with enhanced properties for MRI and hyperthermia. The controlled clustering of MNPs via covalent or electrostatic approaches provides opportunity to prepare high quality materials. MNPs were prepared by co-precipitation and coated by poly(acrylic acid-co-maleic acid) (PAM@MNP). The clusters were synthesized from purified PAM@MNPs and polyethylenimine (PEI) solution via electrostatic interaction and covalent bond formation (ES-cluster and CB-cluster, respectively). The electrostatic adhesion (-NH3+ and -COO-) and the formed amide bond were confirmed by ATR-FTIR. The averaged area of CB-clusters was about twice as large as that of ES-cluster, based on TEM. The SAXS results showed that the surface of MNPs was smooth and the nanoparticles were close packed in both clusters. The pH-dependent aggregation state and zeta potential of clusters were characterized by DLS and electrophoresis measurements, the clusters were colloidally stable at pH>5. In hyperthermia experiments, the values of SAR were about two times larger for the chemically bonded cluster. The MRI studies showed exceptionally high transversion relaxivities, the r2 values are 457 mM-1 s-1 and 691 mM-1 s-1 for ES-cluster and CB-cluster, respectively. Based on these results, the chemically clustered product shows greater potential for feasible biomedical applications.

  2. Cluster Headache

    Science.gov (United States)

    ... re at risk of cluster headache. A family history. Having a parent or sibling who has had cluster headache might ... of Nondiscrimination Advertising Mayo Clinic is a not-for-profit organization ...

  3. Characterization and prediction of the backscattered form function of an immersed cylindrical shell using hybrid fuzzy clustering and bio-inspired algorithms.

    Science.gov (United States)

    Agounad, Said; Aassif, El Houcein; Khandouch, Younes; Maze, Gérard; Décultot, Dominique

    2018-02-01

    The acoustic scattering of a plane wave by an elastic cylindrical shell is studied. A new approach is developed to predict the form function of an immersed cylindrical shell of the radius ratio b/a ('b' is the inner radius and 'a' is the outer radius). The prediction of the backscattered form function is investigated by a combined approach between fuzzy clustering algorithms and bio-inspired algorithms. Four famous fuzzy clustering algorithms: the fuzzy c-means (FCM), the Gustafson-Kessel algorithm (GK), the fuzzy c-regression model (FCRM) and the Gath-Geva algorithm (GG) are combined with particle swarm optimization and genetic algorithm. The symmetric and antisymmetric circumferential waves A, S 0 , A 1 , S 1 and S 2 are investigated in a reduced frequency (k 1 a) range extends over 0.1characterization purposes. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Meaningful Clusters

    Energy Technology Data Exchange (ETDEWEB)

    Sanfilippo, Antonio P.; Calapristi, Augustin J.; Crow, Vernon L.; Hetzler, Elizabeth G.; Turner, Alan E.

    2004-05-26

    We present an approach to the disambiguation of cluster labels that capitalizes on the notion of semantic similarity to assign WordNet senses to cluster labels. The approach provides interesting insights on how document clustering can provide the basis for developing a novel approach to word sense disambiguation.

  5. Characterization of cattle raising in Paraíba State, Northeastern Brazil

    Directory of Open Access Journals (Sweden)

    Inácio José Clementino

    2015-02-01

    Full Text Available The aim of this work was to characterize the cattle raising in Paraíba State, Northeastern Brazil. The State was divided into three cattle production regions according to its mesoregions: production region 1 (Sertão mesoregion, production region 2 (Borborema mesoregion and production region 3 (Agreste and Zona da Mata mesoregions. Overall, 689 rural properties from the three production regions were randomly selected. The variables used in the characterization were production system, farming system, type of milking, use of artificial insemination, milk cooling, number of lactating cows, daily milk production, herd size and number of bovine females > 24 months of age. It was found that most farms in Paraíba State are family or subsistence farms, predominantly mixed production, semi-intensive farming, with utilization of hand milking and natural mating, without use of milk cooling, low number of lactating cows and daily milk production. It were found differences and similarities among production regions so that it is suggested that such aspects must be taking into account in livestock development public policy planning, as well as in the implementation of disease control strategies.

  6. Electrochemical impedance spectroscopy for quantitative interface state characterization of planar and nanostructured semiconductor-dielectric interfaces

    Science.gov (United States)

    Meng, Andrew C.; Tang, Kechao; Braun, Michael R.; Zhang, Liangliang; McIntyre, Paul C.

    2017-10-01

    The performance of nanostructured semiconductors is frequently limited by interface defects that trap electronic carriers. In particular, high aspect ratio geometries dramatically increase the difficulty of using typical solid-state electrical measurements (multifrequency capacitance- and conductance-voltage testing) to quantify interface trap densities (D it). We report on electrochemical impedance spectroscopy (EIS) to characterize the energy distribution of interface traps at metal oxide/semiconductor interfaces. This method takes advantage of liquid electrolytes, which provide conformal electrical contacts. Planar Al2O3/p-Si and Al2O3/p-Si0.55Ge0.45 interfaces are used to benchmark the EIS data against results obtained from standard electrical testing methods. We find that the solid state and EIS data agree very well, leading to the extraction of consistent D it energy distributions. Measurements carried out on pyramid-nanostructured p-Si obtained by KOH etching followed by deposition of a 10 nm ALD-Al2O3 demonstrate the application of EIS to trap characterization of a nanostructured dielectric/semiconductor interface. These results show the promise of this methodology to measure interface state densities for a broad range of semiconductor nanostructures such as nanowires, nanofins, and porous structures.

  7. Infrared Multiple Photon Dissociation Spectroscopy Of Metal Cluster-Adducts

    Science.gov (United States)

    Cox, D. M.; Kaldor, A.; Zakin, M. R.

    1987-01-01

    Recent development of the laser vaporization technique combined with mass-selective detection has made possible new studies of the fundamental chemical and physical properties of unsupported transition metal clusters as a function of the number of constituent atoms. A variety of experimental techniques have been developed in our laboratory to measure ionization threshold energies, magnetic moments, and gas phase reactivity of clusters. However, studies have so far been unable to determine the cluster structure or the chemical state of chemisorbed species on gas phase clusters. The application of infrared multiple photon dissociation IRMPD to obtain the IR absorption properties of metal cluster-adsorbate species in a molecular beam is described here. Specifically using a high power, pulsed CO2 laser as the infrared source, the IRMPD spectrum for methanol chemisorbed on small iron clusters is measured as a function of the number of both iron atoms and methanols in the complex for different methanol isotopes. Both the feasibility and potential utility of IRMPD for characterizing metal cluster-adsorbate interactions are demonstrated. The method is generally applicable to any cluster or cluster-adsorbate system dependent only upon the availability of appropriate high power infrared sources.

  8. Hydrogeologic characterization of the Cachoeira Deposit Massif, Caetite, state of Bahia, Brazil

    International Nuclear Information System (INIS)

    Bottura, J.A.; Albuquerque Filho, J.L.; Ojima, L.M.

    1984-01-01

    The hydrogeologic applications for the characterization of rock massifs in future mining activity areas are presented. The study was performed in the Cachoeira uranium deposit (Anomaly no.13 - Lagoa Real Project) located in the south-central portion of the state of Bahia, Caetite municipality, belonging to the Brazilian Nuclear Enterprise - NUCLEBRAS. The massif occuring in the area is composed of a group or series of rocks classified generically as gneisses, displaying different geotechnical classes. In order to consubstantiate the hydrogeologic/ hydrogeotechnical characterization, pumping and infiltration tests were performed, as well as periodic water level measurements in piezometers and drill-holes. In this manner, a hydrogeotechnical classification was made possible and a quantitative evaluation of the volume of water that will be drained was elaborated, orviding necessary contributions for research diggings and exploration. (D.J.M.) [pt

  9. Characterization of seven United States coal regions. The development of optimal terrace pit coal mining systems

    Energy Technology Data Exchange (ETDEWEB)

    Wimer, R.L.; Adams, M.A.; Jurich, D.M.

    1981-02-01

    This report characterizes seven United State coal regions in the Northern Great Plains, Rocky Mountain, Interior, and Gulf Coast coal provinces. Descriptions include those of the Fort Union, Powder River, Green River, Four Corners, Lower Missouri, Illinois Basin, and Texas Gulf coal resource regions. The resource characterizations describe geologic, geographic, hydrologic, environmental and climatological conditions of each region, coal ranks and qualities, extent of reserves, reclamation requirements, and current mining activities. The report was compiled as a basis for the development of hypothetical coal mining situations for comparison of conventional and terrace pit surface mining methods, under contract to the Department of Energy, Contract No. DE-AC01-79ET10023, entitled The Development of Optimal Terrace Pit Coal Mining Systems.

  10. Characterization of Al30 in commercial poly-aluminum chlorohydrate by solid-state (27)Al NMR spectroscopy.

    Science.gov (United States)

    Phillips, Brian L; Vaughn, John S; Smart, Scott; Pan, Long

    2016-08-15

    Investigation of commercially produced hydrolysis salts of aluminum by solid-state (27)Al NMR spectroscopy and size-exclusion chromatography (SEC) reveals well-defined and distinct Al environments that can be related to physicochemical properties. (27)Al MAS and MQ-MAS NMR spectroscopic data show that the local structure of the solids is dominated by moieties that closely resemble the Al30 polyoxocation (Al30O8(OH)56(H2O)26(18+)), accounting for 72-85% of the total Al. These Al30-like clusters elute as several size fractions by SEC. Comparison of the SEC and NMR results indicates that the Al30-like clusters includes intact isolated clusters, moieties of larger polymers or aggregates, and possibly fragments resembling δ-Al13 Keggin clusters. The coagulation efficacy of the solids appears to correlate best with the abundance of intact Al30-like clusters and of smaller species available to promote condensation reactions. Copyright © 2016 Elsevier Inc. All rights reserved.

  11. Final rubbery state characterization using a hollow cylinder dynamic shear sample on DMA7

    Directory of Open Access Journals (Sweden)

    Vilaiporn Luksameevanish

    2004-09-01

    Full Text Available Dynamic properties of raw natural rubber were examined using a hollow cylinder shaped samplesubjected to shear deformation on a laboratory Dynamic Mechanical Analyser. According to Cox-Merz’s study, dynamic complex viscosity obtained by this method showed a good agreement with shear flow viscosity measured by capillary rheometer. A master curve derived from the dynamic properties were then characterized. A crossing point of storage modulus (G’ and loss modulus (G’’ curves in the master curves was used to identify the final rubbery state, which indicated the transition of rubbery state and molten state. The position of this point depends on quantities and types of reinforcing or non-reinforcing fillers. The final rubbery state was shifted to higher frequency or lower temperature. It was found that the final rubbery state of CaCO3-filled rubber compounds was shifted to higher frequency or lower temperature by approximately 4 decades, while the translation of carbon black-filled rubber compounds was lower than unfilled rubber by about 1 decade. This phenomenon can be used to explain rubber elasticity, i.e. a decreasing of die swell of CaCO3 filled compounds at any high processing temperature. On the other hand, high magnitude of die swell for carbon black filled compound was still obtained.

  12. Synaptic Bistability Due to Nucleation and Evaporation of Receptor Clusters

    KAUST Repository

    Burlakov, V. M.

    2012-01-10

    We introduce a bistability mechanism for long-term synaptic plasticity based on switching between two metastable states that contain significantly different numbers of synaptic receptors. One state is characterized by a two-dimensional gas of mobile interacting receptors and is stabilized against clustering by a high nucleation barrier. The other state contains a receptor gas in equilibrium with a large cluster of immobile receptors, which is stabilized by the turnover rate of receptors into and out of the synapse. Transitions between the two states can be initiated by either an increase (potentiation) or a decrease (depotentiation) of the net receptor flux into the synapse. This changes the saturation level of the receptor gas and triggers nucleation or evaporation of receptor clusters. © 2012 American Physical Society.

  13. Characterization of a foodborne outbreak caused by Salmonella Enteritidis in Aracaju, State of Sergipe, Brazil.

    Science.gov (United States)

    Carneiro, Maria Regina Pires; Cabello, Pedro Hernan; Albuquerque-Junior, Ricardo Luiz Cavalcanti; Jain, Sona; Candido, Alexandre Luna

    2015-01-01

    In December 2001, an outbreak of foodborne gastroenteritis infected 114 of 161 people who ate at a restaurant in Aracaju, State of Sergipe, Brazil. The epidemiological and microbiological aspects of the outbreak were characterized. Potato salad made with homemade mayonnaise and stored at unsuitable temperatures was associated with increased risk of foodborne infection. Salmonella Enteritidis was isolated from the diarrheal stools of the hospitalized patients, and genotyping of the fecal samples generated identical randomly amplified polymorphic deoxyribonucleic acid (DNA) profiles. To the best of our knowledge, this is the first and the only record of a gastrointestinal outbreak in Sergipe.

  14. Faciologic characterization of coal beds in the Cerquilho region, state of Sao Paulo, Brazil

    International Nuclear Information System (INIS)

    Nagalli, J.T.; Consoni, J.O.C.

    1984-01-01

    Since 1981, NUCLEBRAS, researches the Tubarao group in the state of Sao Paulo, in order to evaluate the uraniferous potential of carbonaceous sediments in the Parana Basin. This work discusses geologic information concerning the Cerquilho area, where, the faciologic and structural characterization of the coal beds (or seams) were analyzed, and the main targets for uranium concentration were identified. Such study was performed through detailed field observations, imagery and aerial photograph interpretation as well as well logging analysis. Results suggested that the uraniferous anomalies are controlled by fluvial channels cutting the coal beds, with periglacial influence. (Author) [pt

  15. Cluster size matters: Size-driven performance of subnanometer clusters in catalysis, electrocatalysis and Li-air batteries

    Science.gov (United States)

    Vajda, Stefan

    2015-03-01

    This paper discusses the strongly size-dependent performance of subnanometer cluster based catalysts in 1) heterogeneous catalysis, 2) electrocatalysis and 3) Li-air batteries. The experimental studies are based on I. fabrication of ultrasmall clusters with atomic precision control of particle size and their deposition on oxide and carbon based supports; II. test of performance, III. in situand ex situ X-ray characterization of cluster size, shape and oxidation state; and IV.electron microscopies. Heterogeneous catalysis. The pronounced effect of cluster size and support on the performance of the catalyst (catalyst activity and the yield of Cn products) will be illustrated on the example of nickel and cobalt clusters in Fischer-Tropsch reaction. Electrocatalysis. The study of the oxygen evolution reaction (OER) on size-selected palladium clusters supported on ultrananocrystalline diamond show pronounced size effects. While Pd4 clusters show no reaction, Pd6 and Pd17 clusters are among the most active catalysts known (in in terms of turnover rate per Pd atom). The system (soft-landed Pd4, Pd6, or Pd17 clusters on an UNCD Si coated electrode) shows stable electrochemical potentials over several cycles, and the characterization of the electrodes show no evidence for evolution or dissolution of either the support Theoretical calculations suggest that this striking difference may be a demonstration that bridging Pd-Pd sites, which are only present in three-dimensional clusters, are active for the oxygen evolution reaction in Pd6O6. Li-air batteries. The studies show that sub-nm silver clusters have dramatic size-dependent effect on the lowering of the overpotential, charge capacity, morphology of the discharge products, as well as on the morphology of the nm size building blocks of the discharge products. The results suggest that by precise control of the active surface sites on the cathode, the performance of Li-air cells can be significantly improved

  16. Cloning and characterization of the biosynthetic gene cluster of 16-membered macrolide antibiotic FD-891: involvement of a dual functional cytochrome P450 monooxygenase catalyzing epoxidation and hydroxylation.

    Science.gov (United States)

    Kudo, Fumitaka; Motegi, Atsushi; Mizoue, Kazutoshi; Eguchi, Tadashi

    2010-07-26

    FD-891 is a 16-membered cytotoxic antibiotic macrolide that is especially active against human leukemia such as HL-60 and Jurkat cells. We identified the FD-891 biosynthetic (gfs) gene cluster from the producer Streptomyces graminofaciens A-8890 by using typical modular type I polyketide synthase (PKS) genes as probes. The gfs gene cluster contained five typical modular type I PKS genes (gfsA, B, C, D, and E), a cytochrome P450 gene (gfsF), a methyltransferase gene (gfsG), and a regulator gene (gfsR). The gene organization of PKSs agreed well with the basic polyketide skeleton of FD-891 including the oxidation states and alpha-alkyl substituent determined by the substrate specificities of the acyltransferase (AT) domains. To clarify the involvement of the gfs genes in the FD-891 biosynthesis, the P450 gfsF gene was inactivated; this resulted in the loss of FD-891 production. Instead, the gfsF gene-disrupted mutant accumulated a novel FD-891 analogue 25-O-methyl-FD-892, which lacked the epoxide and the hydroxyl group of FD-891. Furthermore, the recombinant GfsF enzyme coexpressed with putidaredoxin and putidaredoxin reductase converted 25-O-methyl-FD-892 into FD-891. In the course of the GfsF reaction, 10-deoxy-FD-891 was isolated as an enzymatic reaction intermediate, which was also converted into FD-891 by GfsF. Therefore, it was clearly found that the cytochrome P450 GfsF catalyzes epoxidation and hydroxylation in a stepwise manner in the FD-891 biosynthesis. These results clearly confirmed that the identified gfs genes are responsible for the biosynthesis of FD-891 in S. graminofaciens.

  17. South Asian Cluster

    Directory of Open Access Journals (Sweden)

    Ionel Sergiu Pirju

    2014-12-01

    Full Text Available This article aims at presenting the South Asian cluster composed of India, Indonesia, Iran and Malaysia, the intercultural values that characterizes it, the supported leadership style and tracing the main macroeconomic considerations which characterizes them. The research is synchronic, analysing the contemporary situation of these countries without reference to their evolution in time, by using the positivist paradigm that explains the reality at one point. It will be analysed the overall cluster with the existing interactions between the countries that composes it, while the article being one of information will avoid building recommendation, or new theories.

  18. Chemometrics-assisted solid-state characterization of pharmaceutically relevant materials. Polymorphic substances.

    Science.gov (United States)

    Calvo, Natalia L; Maggio, Rubén M; Kaufman, Teodoro S

    2018-01-05

    Current regulations command to properly characterize pharmaceutically relevant solid systems. Chemometrics comprise a range of valuable tools, suitable to process large amounts of data and extract valuable information hidden in their structure. This review aims to detail the results of the fruitful association between analytical techniques and chemometrics methods, focusing on those which help to gain insight into the characteristics of drug polymorphism as an important aspect of the solid state of bulk drugs and drug products. Hence, the combination of Raman, terahertz, mid- and near- infrared spectroscopies, as well as instrumental signals resulting from X-ray powder diffraction, 13 C solid state nuclear magnetic resonance spectroscopy and thermal methods with quali-and quantitative chemometrics methodologies are examined. The main issues reviewed, concerning pharmaceutical drug polymorphism, include the use of chemometrics-based approaches to perform polymorph classification and assignment of polymorphic identity, as well as the determination of given polymorphs in simple mixtures and complex systems. Aspects such as the solvation/desolvation of solids, phase transformation, crystallinity and the recrystallization from the amorphous state are also discussed. A brief perspective of the field for the next future is provided, based on the developments of the last decade and the current state of the art of analytical instrumentation and chemometrics methodologies. Copyright © 2017 Elsevier B.V. All rights reserved.

  19. Structural and functional characterization of an archaeal clustered regularly interspaced short palindromic repeat (CRISPR)-associated complex for antiviral defense (CASCADE).

    Science.gov (United States)

    Lintner, Nathanael G; Kerou, Melina; Brumfield, Susan K; Graham, Shirley; Liu, Huanting; Naismith, James H; Sdano, Matthew; Peng, Nan; She, Qunxin; Copié, Valérie; Young, Mark J; White, Malcolm F; Lawrence, C Martin

    2011-06-17

    In response to viral infection, many prokaryotes incorporate fragments of virus-derived DNA into loci called clustered regularly interspaced short palindromic repeats (CRISPRs). The loci are then transcribed, and the processed CRISPR transcripts are used to target invading viral DNA and RNA. The Escherichia coli "CRISPR-associated complex for antiviral defense" (CASCADE) is central in targeting invading DNA. Here we report the structural and functional characterization of an archaeal CASCADE (aCASCADE) from Sulfolobus solfataricus. Tagged Csa2 (Cas7) expressed in S. solfataricus co-purifies with Cas5a-, Cas6-, Csa5-, and Cas6-processed CRISPR-RNA (crRNA). Csa2, the dominant protein in aCASCADE, forms a stable complex with Cas5a. Transmission electron microscopy reveals a helical complex of variable length, perhaps due to substoichiometric amounts of other CASCADE components. A recombinant Csa2-Cas5a complex is sufficient to bind crRNA and complementary ssDNA. The structure of Csa2 reveals a crescent-shaped structure unexpectedly composed of a modified RNA-recognition motif and two additional domains present as insertions in the RNA-recognition motif. Conserved residues indicate potential crRNA- and target DNA-binding sites, and the H160A variant shows significantly reduced affinity for crRNA. We propose a general subunit architecture for CASCADE in other bacteria and Archaea.

  20. Karyotype characterization and nuclear DNA content measurement in Bromeliaceae: State of the art and future perspectives

    Directory of Open Access Journals (Sweden)

    ANDREI C.P. NUNES

    2014-12-01

    Full Text Available In Bromeliaceae, cytogenetic and flow cytometry analyses have been performed to clarify systematic and evolutionary aspects. Karyotyping approaches have shown the relatively high chromosome number, similar morphology and small size of the chromosomes. These facts have prevented a correct chromosome counting and characterization. Authors have established a basic chromosome number of x = 25 for Bromeliaceae. Recently, one karyomorphological analysis revealed that x = 25 is no longer the basic chromosome number, whose genome may have a polyploid origin. Besides cytogenetic characterization, the 2C DNA content of bromeliads has been measured. Nuclear DNA content has varied from 2C = 0.60 to 2C = 3.34 picograms. Thus, in relation to most angiosperms, the 2C DNA content of Bromeliaceae species as well as their chromosome size can be considered relatively small. In spite of some advances, cytogenetic and flow cytometry data are extremely scarce in this group. In this context, this review reports the state of the art in karyotype characterization and nuclear DNA content measurement in Bromeliaceae, emphasizing the main problems and suggesting prospective solutions and ideas for future research.

  1. Karyotype characterization and nuclear DNA content measurement in Bromeliaceae: state of the art and future perspectives.

    Science.gov (United States)

    Nunes, Andrei C P; Clarindo, Wellington R

    2014-12-01

    In Bromeliaceae, cytogenetic and flow cytometry analyses have been performed to clarify systematic and evolutionary aspects. Karyotyping approaches have shown the relatively high chromosome number, similar morphology and small size of the chromosomes. These facts have prevented a correct chromosome counting and characterization. Authors have established a basic chromosome number of x = 25 for Bromeliaceae. Recently, one karyomorphological analysis revealed that x = 25 is no longer the basic chromosome number, whose genome may have a polyploid origin. Besides cytogenetic characterization, the 2C DNA content of bromeliads has been measured. Nuclear DNA content has varied from 2C = 0.60 to 2C = 3.34 picograms. Thus, in relation to most angiosperms, the 2C DNA content of Bromeliaceae species as well as their chromosome size can be considered relatively small. In spite of some advances, cytogenetic and flow cytometry data are extremely scarce in this group. In this context, this review reports the state of the art in karyotype characterization and nuclear DNA content measurement in Bromeliaceae, emphasizing the main problems and suggesting prospective solutions and ideas for future research.

  2. Characterization of proton exchange membrane materials for fuel cells by solid state nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Kong, Zueqian [Iowa State Univ., Ames, IA (United States)

    2010-01-01

    Solid-state nuclear magnetic resonance (NMR) has been used to explore the nanometer-scale structure of Nafion, the widely used fuel cell membrane, and its composites. We have shown that solid-state NMR can characterize chemical structure and composition, domain size and morphology, internuclear distances, molecular dynamics, etc. The newly-developed water channel model of Nafion has been confirmed, and important characteristic length-scales established. Nafion-based organic and inorganic composites with special properties have also been characterized and their structures elucidated. The morphology of Nafion varies with hydration level, and is reflected in the changes in surface-to-volume (S/V) ratio of the polymer obtained by small-angle X-ray scattering (SAXS). The S/V ratios of different Nafion models have been evaluated numerically. It has been found that only the water channel model gives the measured S/V ratios in the normal hydration range of a working fuel cell, while dispersed water molecules and polymer ribbons account for the structures at low and high hydration levels, respectively.

  3. Risperidone – Solid-state characterization and pharmaceutical compatibility using thermal and non-thermal techniques

    Energy Technology Data Exchange (ETDEWEB)

    Daniel, Josiane Souza Pereira; Veronez, Isabela Pianna; Rodrigues, Larissa Lopes [Laboratório de Análise e Caracterização de Fármacos – LACFar, Instituto de Química, Universidade Federal de Alfenas, Alfenas, Minas Gerais (Brazil); Trevisan, Marcello G. [Laboratório de Análise e Caracterização de Fármacos – LACFar, Instituto de Química, Universidade Federal de Alfenas, Alfenas, Minas Gerais (Brazil); National Institute of Bioanalytics Science and Technology – INCTBio, Institute of Chemistry – UNICAMP, 13084-653, Campinas, São Paulo (Brazil); Garcia, Jerusa Simone, E-mail: jerusa.garcia@unifal-mg.edu.br [Laboratório de Análise e Caracterização de Fármacos – LACFar, Instituto de Química, Universidade Federal de Alfenas, Alfenas, Minas Gerais (Brazil)

    2013-09-20

    Highlights: • DSC was used to characterize Risperidone and study its compatibility with excipients. • FT-IR associated with PCA was used to complement DSC data. • LC analyzes confirmed the DSC and FT-IR/PCA results. • Risperidone was incompatible with three among five excipients evaluated. - Abstract: A full solid-state characterization of risperidone was conducted using differential scanning calorimetry (DSC), thermogravimetry (TG), powder X-ray diffraction (PXRD), Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM) to examine its physicochemical properties and polymorphism. The primary aim of this work was to study the compatibility of risperidone with pharmaceutical excipients using DSC to obtain and compare the curves of the active pharmaceutical ingredient (API) and the excipients with their 1:1 (w/w) binary mixtures. These same binary mixtures were turned to room temperature and analyzed by FT-IR combined with principal component analysis (PCA) to evaluate solid-state incompatibilities. The chemical incompatibilities of these samples were verified using a stability-indicating liquid chromatography (LC) method to assay for the API and evaluate the formation of degradation products. All of these methods showed incompatibilities between risperidone and the excipients magnesium stearate, lactose and cellulose microcrystalline.

  4. Solid-State Characterization of Novel Propylene Glycol Ester Solvates Isolated from Lipid Formulations.

    Science.gov (United States)

    Chakravarty, Paroma; Kothari, Sanjeev; Deese, Alan; Lubach, Joseph W

    2015-07-06

    The purpose of this study was to identify and characterize precipitates obtained from a liquid formulation of GNE068.HCl, a Genentech developmental compound, and lipophilic excipients, such as propylene glycol monocaprylate, and monolaurate. Precipitates were characterized using powder X-ray diffractometry (PXRD), differential scanning calorimetry, thermogravimetry, microscopy, nuclear magnetic resonance spectroscopy (NMR; solution and solid-state) and water sorption analysis. PXRD and NMR revealed the precipitates to be crystalline solvates of propylene glycol esters. The solvates (capryolate and lauroglycolate) were isomorphic and stable up to 70 °C, beyond which melting of the lattice occurred with subsequent dissolution of the active ingredient in the melt (microscopy and variable temperature PXRD). They were found to be mechanically stable (no change in PXRD pattern upon compression) and were nonhygroscopic up to ∼70% RH (25 °C). Our results highlight the outcome of inadvertent drug-excipient interactions in two separate lipid solution formulations with good solid-state properties and, thus, potential for further development.

  5. Characterization of the polymer Durolon as a solid state nuclear track detector

    International Nuclear Information System (INIS)

    Pugliesi, Fabio

    2008-01-01

    The polymer Durolon has been characterized as a solid state nuclear track detector. In these detectors a track, resulting from the damages in its molecular structure, induced by a heavy charged particle, is the testimony of the passage of the particle through the polymer. In order to characterize the Durolon the track diameter, track production rate, light transmission through the polymer and the critical angle of incidence of the particle have been studied. The main objective of such studies was to provide the necessary subsidies to understand the information registered. The damages have been induced by alpha particles from the nuclear reaction 10 B(n,α) 7 Li, by irradiating a boron screen in a thermal neutron field from an experimental facility installed in the beam-hole 08 of the IEA-R1 nuclear research reactor of IPEN-CNEN/SP. The study of the parameters have been performed by using a digital system developed in the present work. Its use has provided a higher quality and quickness regarding data acquisition and data analysis as well as the opportunity to quantify several other parameters regarding the imaging formation theory in solid state nuclear track detectors. The characteristics of the Durolon have been compared with the ones of two other detectors Makrofol-E and Makrofol-DE and have demonstrated its potentiality to use. (author)

  6. Solid state characterization of commercial crystalline and amorphous atorvastatin calcium samples.

    Science.gov (United States)

    Shete, Ganesh; Puri, Vibha; Kumar, Lokesh; Bansal, Arvind K

    2010-06-01

    Atorvastatin calcium (ATC), an anti-lipid BCS class II drug, is marketed in crystalline and amorphous solid forms. The objective of this study was to perform solid state characterization of commercial crystalline and amorphous ATC drug samples available in the Indian market. Six samples each of crystalline and amorphous ATC were characterized using X-ray powder diffractometry (XRPD), differential scanning calorimetry (DSC), thermogravimetric analysis, Karl Fisher titrimetry, microscopy (hot stage microscopy, scanning electron microscopy), contact angle, and intrinsic dissolution rate (IDR). All crystalline ATC samples were found to be stable form I, however one sample possessed polymorphic impurity, evidenced in XRPD and DSC analysis. Amongst the amorphous ATC samples, XRPD demonstrated five samples to be amorphous 'form 27', while, one matched amorphous 'form 23'. Thermal behavior of amorphous ATC samples was compared to amorphous ATC generated by melt quenching in DSC. ATC was found to be an excellent glass former with T(g)/T(m) of 0.95. Residual crystallinity was detected in two of the amorphous samples by complementary use of conventional and modulated DSC techniques. The wettability and IDR of all amorphous samples was found to be higher than the crystalline samples. In conclusion, commercial ATC samples exhibited diverse solid state behavior that can impact the performance and stability of the dosage forms.

  7. The Morphologies and Alignments of Gas, Mass, and the Central Galaxies of CLASH Clusters of Galaxies

    Science.gov (United States)

    Donahue, Megan; Ettori, Stefano; Rasia, Elena; Sayers, Jack; Zitrin, Adi; Meneghetti, Massimo; Voit, G. Mark; Golwala, Sunil; Czakon, Nicole; Yepes, Gustavo; Baldi, Alessandro; Koekemoer, Anton; Postman, Marc

    2016-03-01

    Morphology is often used to infer the state of relaxation of galaxy clusters. The regularity, symmetry, and degree to which a cluster is centrally concentrated inform quantitative measures of cluster morphology. The Cluster Lensing and Supernova survey with Hubble Space Telescope (CLASH) used weak and strong lensing to measure the distribution of matter within a sample of 25 clusters, 20 of which were deemed to be “relaxed” based on their X-ray morphology and alignment of the X-ray emission with the Brightest Cluster Galaxy. Toward a quantitative characterization of this important sample of clusters, we present uniformly estimated X-ray morphological statistics for all 25 CLASH clusters. We compare X-ray morphologies of CLASH clusters with those identically measured for a large sample of simulated clusters from the MUSIC-2 simulations, selected by mass. We confirm a threshold in X-ray surface brightness concentration of C ≳ 0.4 for cool-core clusters, where C is the ratio of X-ray emission inside 100 h70-1 kpc compared to inside 500 {h}70-1 kpc. We report and compare morphologies of these clusters inferred from Sunyaev-Zeldovich Effect (SZE) maps of the hot gas and in from projected mass maps based on strong and weak lensing. We find a strong agreement in alignments of the orientation of major axes for the lensing, X-ray, and SZE maps of nearly all of the CLASH clusters at radii of 500 kpc (approximately 1/2 R500 for these clusters). We also find a striking alignment of clusters shapes at the 500 kpc scale, as measured with X-ray, SZE, and lensing, with that of the near-infrared stellar light at 10 kpc scales for the 20 “relaxed” clusters. This strong alignment indicates a powerful coupling between the cluster- and galaxy-scale galaxy formation processes.

  8. The Dynamics of Overlapping Clusters

    DEFF Research Database (Denmark)

    Reckendrees, Alfred

    to a powerful industrial region. The implementation and diffusion of the factory system and the economic impact of adapted and new institutions make the core of this paper. Reciprocal interconnections between firms of different clusters shaped the region and created economic dynamics. Investments transgressed......The economic transition characterizing the process of European industrialization in the 19th century was concentrated on regions rather than on states. In the first half of the 19th century, the region of Aachen (in the west of Prussia) pioneered on the territory of the German states and developed...... the boundaries of single industries and new industries emerged. One important feature of the regional production system was cross-sectional knowledge transfer; a second was institutions supportive to this process....

  9. The Dynamics of Overlapping Clusters

    DEFF Research Database (Denmark)

    Reckendrees, Alfred

    The economic transition characterizing the process of European industrialization in the 19th century was concentrated on regions rather than on states. In the first half of the 19th century, the region of Aachen (in the west of Prussia) pioneered on the territory of the German states and developed...... to a powerful industrial region. The implementation and diffusion of the factory system and the economic impact of adapted and new institutions make the core of this paper. Reciprocal interconnections between firms of different clusters shaped the region and created economic dynamics. Investments transgressed...... the boundaries of single industries and new industries emerged. One important feature of the regional production system was cross-sectional knowledge transfer; a second was institutions supportive to this process....

  10. Comparing and characterizing transient and steady-state tests of the peripheral chemoreflex in humans.

    Science.gov (United States)

    Pfoh, Jamie R; Tymko, Michael M; Abrosimova, Maria; Boulet, Lindsey M; Foster, Glen E; Bain, Anthony R; Ainslie, Philip N; Steinback, Craig D; Bruce, Christina D; Day, Trevor A

    2016-03-01

    What is the central question of this study? We aimed to characterize the cardiorespiratory and cerebrovascular responses to transient and steady-state tests of the peripheral chemoreflex and to compare the hypoxic ventilatory responses (HVRs) between these tests. What is the main finding and its importance? The cardiovascular and cerebrovascular responses to transient tests were small in magnitude and short in duration. The steady-state isocapnic hypoxia test elicited a larger HVR than the transient 100% N(2) test, but the response magnitudes were correlated within individuals. The transient test of the HVR elicits fewer systemic effects than steady-state techniques and may have greater experimental utility than previously appreciated. Carotid chemoreceptors detect changes in arterial PO(2) and PCO(2), eliciting a peripheral chemoreflex (PCR). Steady-state (SS) hypoxia tests using dynamic end-tidal forcing (DEF) have been used to assess the hypoxic ventilatory response (HVR) but may be confounded by concomitant systemic effects. Transient tests of the PCR have also been developed but are not widely used, nor have the cardiovascular and cerebrovascular responses been characterized. We characterized the cardiorespiratory and cerebrovascular responses to transient tests of the PCR and compared the HVR between transient and SS-DEF tests. We hypothesized that the cardiovascular and cerebrovascular responses to the transient tests would be minimal and that the respiratory responses elicited from the transient and SS-DEF tests would be different in magnitude and not well correlated within individuals. Participants underwent five consecutive trials of two transient tests [three-breath 100% N(2) (TT-N(2)) and a single-breath 13% CO(2), in air] and two 10 min SS-DEF tests [isocapnic (SS-ISO) and poikilocapnic (SS-POI) hypoxia]. In response to the transient tests, heart rate, mean arterial pressure and the middle and posterior cerebral artery blood velocity increased (all P

  11. A novel model-free data analysis technique based on clustering in a mutual information space: application to resting-state fMRI

    Directory of Open Access Journals (Sweden)

    Simon Benjaminsson

    2010-08-01

    Full Text Available Non-parametric data-driven analysis techniques can be used to study datasets with few assumptions about the data and underlying experiment. Variations of Independent Component Analysis (ICA have been the methods mostly used on fMRI data, e.g. in finding resting-state networks thought to reflect the connectivity of the brain. Here we present a novel data analysis technique and demonstrate it on resting-state fMRI data. It is a generic method with few underlying assumptions about the data. The results are built from the statistical relations between all input voxels, resulting in a whole-brain analysis on a voxel level. It has good scalability properties and the parallel implementation is capable of handling large datasets and databases. From the mutual information between the activities of the voxels over time, a distance matrix is created for all voxels in the input space. Multidimensional scaling is used to put the voxels in a lower-dimensional space reflecting the dependency relations based on the distance matrix. By performing clustering in this space we can find the strong statistical regularities in the data, which for the resting-state data turns out to be the resting-state networks. The decomposition is performed in the last step of the algorithm and is computationally simple. This opens up for rapid analysis and visualization of the data on different spatial levels, as well as automatically finding a suitable number of decomposition components.

  12. Population clustering and clonal structure evidence the relict state of Ulmus minor Mill. in the Balearic Islands.

    Science.gov (United States)

    Fuentes-Utrilla, P; Valbuena-Carabaña, M; Ennos, R; Gil, L

    2014-07-01

    Field elm (Ulmus minor) is a riparian tree that grows in rare, small populations scattered along temporary watercourses in the Balearic Islands, nowadays mostly covered with Mediterranean vegetation. Agriculture and farming on the fertile land along the periodically flooded plains have reduced the elm populations to sparse tree lines along the creek beds. The presence of field elm in this very anthropic landscape has led some authors to consider it as an introduced species in the Balearics. However, pollen data suggest these elms may be the remains of larger populations experiencing continuous population shrinkage during the Holocene, and hence be native to the isles. In this paper, we apply genetic markers to assess whether field elm is or is not indigenous to the Balearic Islands. We compare the genetic variation in nine nuclear microsatellites of six Balearic populations (three in each of the largest islands, Majorca and Minorca) with that of three natural Iberian populations located in two regions, one geologically (Baetic mountains, SE Iberia) and another historically (Catalonia, NE Iberia) related to the islands. Principal coordinates analysis and Bayesian clustering methods reveal a strong genetic differentiation of the Balearic populations from the Iberian ones, and even among islands, which support their native origin. Genotypic variation in the islands is very low and clonal reproduction is very high compared with the mainland, as it is frequently observed in populations of clonal species where sexual reproduction is limited. We discuss the practical implications of these findings for the conservation of elm genetic resources of these findings.

  13. Introduction to cluster dynamics

    CERN Document Server

    Reinhard, Paul-Gerhard

    2008-01-01

    Clusters as mesoscopic particles represent an intermediate state of matter between single atoms and solid material. The tendency to miniaturise technical objects requires knowledge about systems which contain a ""small"" number of atoms or molecules only. This is all the more true for dynamical aspects, particularly in relation to the qick development of laser technology and femtosecond spectroscopy. Here, for the first time is a highly qualitative introduction to cluster physics. With its emphasis on cluster dynamics, this will be vital to everyone involved in this interdisciplinary subje

  14. Measuring Cluster Relaxedness

    Energy Technology Data Exchange (ETDEWEB)

    Moreland, Blythe; /Michigan U. /SLAC

    2012-08-24

    When is a dark matter halo 'relaxed'? In our efforts to understand the structure of the universe, dark matter simulations have provided essential grounds for theoretical predictions. These simulations provide a wealth of ways of parameterizing and measuring the features of astronomical objects. It is these measurements on which we base comparisons of our world and our attempts to re-create it. One of the essential questions dark matter simulations help address is how dark matter halos evolve. How does one characterize different states of that evolution? The focus of this project is identifying cluster relaxedness and how it relates to the internal structure of the halo. A dark matter simulation consists of an N-body simulation which takes an initial set of positions and velocities of the dark matter particles and evolves them under the influence of gravity [6]. Though scientists have so far not been able to detect dark matter particles, the information from these simulations is still valuable especially given the relationship between dark matter halos and galaxy clusters. Galaxies sit within dark matter halos and recent evidence points to filaments of dark matter forming the framework on which galaxy clusters grow [7]. A dark matter halo is a collapsed group of gravitationally bound dark matter particles. Subsets of bound particles form subhalos or substructures. The dark matter simulation is carried out over time - with decreasing redshift (z) or increasing scale factor (a = 1/1+z ). (Thus, z = 0 or a = 1.0 is present-day.) The merger history of a halo can be represented pictorally by a merger tree. A major merger event occurs when a structure joins the main halo with the mass ratio between it and the main halo being above a certain threshold. These events mark important points in the halo's evolution. And it is at these events that one hopes, and perhaps is more likely, to relate measures of relaxedness to this mass accretion. Cluster relaxedness

  15. Cluster formation, breaking, and excitation in light nuclei

    Directory of Open Access Journals (Sweden)

    Kanada-En’yo Y.

    2014-03-01

    Full Text Available In this paper, we discuss cluster phenomena in light nuclei based on calculations using the antisymmetrized molecular dynamics (AMD method. Cluster structures in C, B, and Be were studied systematically, and their cluster formation and excitation are discussed. Cluster gas states and their band members are suggested for the excited states of 12C and 11B. The ground state cluster correlation and excited cluster gas state are discussed from the point of view of symmetry breaking and restoration.

  16. Genetic Characterization of Sarcoptes scabiei from Black Bears (Ursus americanus) and Other Hosts in the Eastern United States.

    Science.gov (United States)

    Peltier, Sarah K; Brown, Justin D; Ternent, Mark; Niedringhaus, Kevin D; Schuler, Krysten; Bunting, Elizabeth M; Kirchgessner, Megan; Yabsley, Michael J

    2017-10-01

    Since the early 1990s there has been an increase in the number of cases and geographic expansion of severe mange in the black bear (Ursus americanus) population in Pennsylvania. Although there are 3 species of mites associated with mange in bears, Sarcoptes scabiei has been identified as the etiologic agent in these Pennsylvania cases. Historically, S. scabiei-associated mange in bears has been uncommon and sporadic, although it is widespread and relatively common in canid populations. To better understand this recent emergence of sarcoptic mange in bears in Pennsylvania and nearby states, we genetically characterized S. scabiei samples from black bears in the eastern United States. These sequences were compared with newly acquired S. scabiei sequences from wild canids (red fox [Vulpes vulpes] and coyote [Canis latrans]) and a porcupine (Erethizon dorsatum) from Pennsylvania and Kentucky and also existing sequences in GenBank. The internal transcribed spacer (ITS)-2 region and cytochrome c oxidase subunit 1 (cox1) gene were amplified and sequenced. Twenty-four ITS-2 sequences were obtained from mites from bears (n = 16), red fox (n = 5), coyote (n = 2), and a porcupine. The sequences from bear samples were identical to each other or differed only at polymorphic bases, whereas S. scabiei from canids were more variable, but 2 were identical to S. scabiei sequences from bears. Eighteen cox1 sequences obtained from mites from bears represented 6 novel haplotypes. Phylogenetic analysis of cox1 sequences revealed 4 clades: 2 clades of mites of human origin from Panama or Australia, a clade of mites from rabbits from China, and a large unresolved clade that included the remaining S. scabiei sequences from various hosts and regions, including sequences from the bears from the current study. Although the cox1 gene was more variable than the ITS-2, phylogenetic analyses failed to detect any clustering of S. scabiei from eastern U.S. hosts. Rather, sequences from black bears

  17. Characterization of Chemical Suicides in the United States and Its Adverse Impact on Responders and Bystanders.

    Science.gov (United States)

    Anderson, Ayana R

    2016-11-01

    A suicide trend that involves mixing household chemicals to produce hydrogen sulfide or hydrogen cyanide, commonly referred to as a detergent, hydrogen sulfide, or chemical suicide is a continuing problem in the United States (U.S.). Because there is not one database responsible for tracking chemical suicides, the actual number of incidents in the U.S. is unknown. To prevent morbidity and mortality associated with chemical suicides, it is important to characterize the incidents that have occurred in the U.S. The author analyzed data from 2011-2013 from state health departments participating in the Agency for Toxic Substances and Disease Registry's National Toxic Substance Incidents Program (NTSIP). NTSIP is a web-based chemical incident surveillance system that tracks the public health consequences (e.g., morbidity, mortality) from acute chemical releases. Reporting sources for NTSIP incidents typically include first responders, hospitals, state environmental agencies, and media outlets. To find chemical suicide incidents in NTSIP's database, the author queried open text fields in the comment, synopsis, and contributing factors variables for potential incidents. Five of the nine states participating in NTSIP reported a total of 22 chemical suicide incidents or attempted suicides during 2011-2013. These states reported a total of 43 victims: 15 suicide victims who died, seven people who attempted suicide but survived, eight responders, and four employees working at a coroner's office; the remainder were members of the general public. None of the injured responders reported receiving HazMat technician-level training, and none had documented appropriate personal protective equipment. Chemical suicides produce lethal gases that can pose a threat to responders and bystanders. Describing the characteristics of these incidents can help raise awareness among responders and the public about the dangers of chemical suicides. Along with increased awareness, education is also

  18. Characterization of Chemical Suicides in the United States and Its Adverse Impact on Responders and Bystanders

    Directory of Open Access Journals (Sweden)

    Ayana R. Anderson

    2016-11-01

    Full Text Available Introduction: A suicide trend that involves mixing household chemicals to produce hydrogen sulfide or hydrogen cyanide, commonly referred to as a detergent, hydrogen sulfide, or chemical suicide is a continuing problem in the United States (U.S.. Because there is not one database responsible for tracking chemical suicides, the actual number of incidents in the U.S. is unknown. To prevent morbidity and mortality associated with chemical suicides, it is important to characterize the incidents that have occurred in the U.S. Methods: The author analyzed data from 2011-2013 from state health departments participating in the Agency for Toxic Substances and Disease Registry’s National Toxic Substance Incidents Program (NTSIP. NTSIP is a web-based chemical incident surveillance system that tracks the public health consequences (e.g., morbidity, mortality from acute chemical releases. Reporting sources for NTSIP incidents typically include first responders, hospitals, state environmental agencies, and media outlets. To find chemical suicide incidents in NTSIP’s database, the author queried open text fields in the comment, synopsis, and contributing factors variables for potential incidents. Results: Five of the nine states participating in NTSIP reported a total of 22 chemical suicide incidents or attempted suicides during 2011-2013. These states reported a total of 43 victims: 15 suicide victims who died, seven people who attempted suicide but survived, eight responders, and four employees working at a coroner’s office; the remainder were members of the general public. None of the injured responders reported receiving HazMat technician-level training, and none had documented appropriate personal protective equipment. Conclusion: Chemical suicides produce lethal gases that can pose a threat to responders and bystanders. Describing the characteristics of these incidents can help raise awareness among responders and the public about the dangers of

  19. Response to state comments on the revised draft Southeastern Regional Characterization Reports for the Crystalline Repository Project

    International Nuclear Information System (INIS)

    1985-08-01

    The purpose of this document is to respond to the comments received from the states of the Southeastern Region on the revised draft Southeastern Regional Characterization Reports (RCRs). The responses in this document indicate the manner in which the suggestions or comments received have been considered in modifying the revised draft Southeastern RCRs. Both general comments related to the overall Crystalline Repository Project (CRP) and comments on specific sections of the RCRs are addressed. This document responds to Southeastern State comments on both the revised draft Southeastern Regional Geologic Characterization Report (RGCR) and the revised draft Southeastern Regional Environmental Characterization Report (RECR)

  20. Response to state comments on the revised draft North Central Regional characterization reports for the Crystalline Repository Project

    International Nuclear Information System (INIS)

    1985-08-01

    The purpose of this document is to respond to the comments received from the states of the North Central Region on the revised draft North Central Regional Characterization Reports (RCRs). The responses in this document indicate the manner in which the suggestions or comments received have been considered in modifying the revised draft North Central RCRs. Both general comments related to the overall Crystalline Repository Project (CRP) and comments on specific sections of the RCRs are addressed. This document responds to North Central State comments on both the revised draft North Central Regional Geologic Characterization Report (RGCR) and the revised draft North Central Regional Environmental Characterization Report (RECR)

  1. Response to state comments on the revised draft northeastern regional characterization reports for the Crystalline Repository Project

    International Nuclear Information System (INIS)

    1985-08-01

    The purpose of this document is to respond to the comments received from the States of the Northeastern Region on the revised draft Northeastern Regional Characterization Reports (RCRs). The responses in this document indicate the manner in which the suggestions or comments received have been considered in modifying the revised draft Northeastern RCRs. Both general comments related to the overall Crystalline Repository Project (CRP) and comments on specific sections of the RCRs are addressed. This document responds to Northeastern State comments on both the revised draft Northeastern Regional Geologic Characterization Report (RGCR) and the revised draft Northeastern Regional Environmental Characterization Report (RECR)

  2. Solid-State Characterization and Interconversion of Recrystallized Amodiaquine Dihydrochloride in Aliphatic Monohydric Alcohols.

    Science.gov (United States)

    Sirikun, Wiriyaporn; Chatchawalsaisin, Jittima; Sutanthavibul, Narueporn

    2016-04-01

    Amodiaquine dihydrochloride monohydrate (AQ-DM) was obtained by recrystallizing amodiaquine dihydrochloride dihydrate (AQ-DD) in methanol, ethanol, and n-propanol. Solid-state characterization of AQ-DD and AQ-DM was performed using X-ray powder diffractometry, Fourier transform infrared spectroscopy, thermogravimetry, and differential scanning calorimetry. All recrystallized samples were identified as AQ-DM. Crystal habits of AQ-DD and AQ-DM were shown to be needle-like and rhombohedral crystals, respectively. When AQ-DD and AQ-DM were exposed to various relative humidity in dynamic vapor sorption apparatus, no solid-state interconversion was observed. However, AQ-DM showed higher solubility than AQ-DD when exposed to bulk water during solubility study, while excess AQ-DM was directly transformed back to a more stable AQ-DD structure. Heating AQ-DM sample to temperatures ≥190°C induced initial change to metastable amorphous form (AQ-DA) which was rapidly recrystallized to AQ-DD upon ≥80%RH moisture exposure. AQ-DD was able to be recrystallized in alcohols (C1-C3) as AQ-DM solid-state structure. In summary, AQ-DM was shown to have different solubility, moisture and temperature stability, and interconversion pathways when compared to AQ-DD. Thus, when AQ-DM was selected for any pharmaceutical applications, these critical transformation and property differences should be observed and closely monitored.

  3. Recent Advances in Characterization of Lignin Polymer by Solution-State Nuclear Magnetic Resonance (NMR Methodology

    Directory of Open Access Journals (Sweden)

    Run-Cang Sun

    2013-01-01

    Full Text Available The demand for efficient utilization of biomass induces a detailed analysis of the fundamental chemical structures of biomass, especially the complex structures of lignin polymers, which have long been recognized for their negative impact on biorefinery. Traditionally, it has been attempted to reveal the complicated and heterogeneous structure of lignin by a series of chemical analyses, such as thioacidolysis (TA, nitrobenzene oxidation (NBO, and derivatization followed by reductive cleavage (DFRC. Recent advances in nuclear magnetic resonance (NMR technology undoubtedly have made solution-state NMR become the most widely used technique in structural characterization of lignin due to its versatility in illustrating structural features and structural transformations of lignin polymers. As one of the most promising diagnostic tools, NMR provides unambiguous evidence for specific structures as well as quantitative structural information. The recent advances in two-dimensional solution-state NMR techniques for structural analysis of lignin in isolated and whole cell wall states (in situ, as well as their applications are reviewed.

  4. Characterization of the residual structure in the unfolded state of the Delta 131 Delta fragment of staphylococcal nuclease

    DEFF Research Database (Denmark)

    Francis, C. J.; Lindorff-Larsen, Kresten; Best, R. B.

    2006-01-01

    The determination of the conformational preferences in unfolded states of proteins constitutes an important challenge in structural biology. We use inter-residue distances estimated from site-directed spin-labeling NMR experimental measurements as ensemble-averaged restraints in all-atom molecular...... dynamics simulations to characterise the residual structure of the 131 fragment of staphylococcal nuclease under physiological conditions. Our findings indicate that 131 under these conditions shows a tendency to form transiently hydrophobic clusters similar to those present in the native state of wild...

  5. MONODOMINANCE CHARACTERIZATION OF AROEIRA (Myracrodruon urundeuva Fr. All. IN THE CITY OF TUMIRITINGA, MINAS GERAIS STATE

    Directory of Open Access Journals (Sweden)

    Felipe Pinho de Oliveira

    2014-06-01

    Full Text Available http://dx.doi.org/10.5902/1980509814568Myracrodruon urundeuva Fr.All. forest species is scientifically recognized by the set of ecological and utilitarian features that characterize it as a “noble” species of the Brazilian flora. Although the species has appeared since 1992, until the present dayit has been in the list of species of the endangered Brazilian flora, the same behavior manifests monodominant behavior in some regions of Minas Gerais state, especially in the central Rio Doce area. Many studies have been conducted in order to describe and understand monodominated tropical forests. However, there is not so much information that clarifies the structure of forest fragments mono-dominated by Myracrodruon urundeuva. In this context, this study aimed to: a characterize parameters through floristic, phytosociological and parametric to the monodominance of Myracrodruon urundeuvain in the city of Tumiritinga, MG; b estimate the biomass and carbon stocks accumulated in these environments; c characterize the stage of regeneration of forest fragments mono-dominated by aroeira in Tumiritinga, in MG state based on the resolution 392 from CONAMA; d evaluate the correlation between canopy cover and stage of regeneration in fragmentes mono-dominated by aroeira. We randomly sampled 16 plots of400m² around the city of Tumiritinga, representing 6.400m² of “Aroeirais” that were sampled. The diversity analysis of the mono-dominated fragments that were studied showed Shannon-Weaver index equal to 0.25. Myracrodruon urundeuva represented 96% of the 678 sampled individuals, 96% of total basal area measured and 96% of the total volume stored in the inventory plots. In addition to the species Myracrodruon urundeuva, the floristic study showed only 10 other forest species representing even plant families. The estimates of aroeira biomass reached the average value of 81 m3.ha-1 of wood volume, 62.8 MgB.Ha-1, 35.2 MgC.ha-1 and 129.1 MgCO2.ha-1. The

  6. Theoretical study of small Mo clusters and molecular nitrogen adsorption on Mo clusters

    Science.gov (United States)

    Lei, Xue-Ling

    2010-10-01

    This paper studies the small molybdenum clusters of Mon (n = 2-8) and their adsorption of N2 molecule by using the density functional theory (DFT) with the generalized gradient approximation. The optimized structures of Mon clusters show the onset of a structural transition from a close-packed structure towards a body-centred cubic structure occurred at n = 7. An analysis of adsorption energies suggests that the Mo2 is of high inertness and Mo6 cluster is of high activity against the adsorption of N2. Calculated results indicate that the N2 molecule prefers end-on mode by forming a linear or quasi-linear structure Mo—N—N, and the adsorption of nitrogen on molybdenum clusters is molecular adsorption with slightly elongated N-N bond. The electron density of highest occupied molecular orbital and lowest unoccupied molecular orbital, and the partial density of states of representative cluster are also used to characterize the adsorption properties of N2 on the sized Mon clusters.

  7. What the multiline signal (MLS) simulation data with average of weighted computations reveal about the Mn hyperfine interactions and oxidation states of the manganese cluster in OEC?

    Science.gov (United States)

    Baituti, Bernard

    2017-11-01

    Understanding the structure of oxygen evolving complex (OEC) fully still remains a challenge. Lately computational chemistry with the data from more detailed X-ray diffraction (XRD) OEC structure, has been used extensively in exploring the mechanisms of water oxidation in the OEC (Gatt et al., J. Photochem. Photobiol. B 104(1-2), 80-93 2011). Knowledge of the oxidation states is very crucial for understanding the core principles of catalysis by photosystem II (PSII) and catalytic mechanism of OEC. The present study involves simulation studies of the X-band continuous wave electron-magnetic resonance (CW-EPR) generated S 2 state signals, to investigate whether the data is in agreement with the four manganese ions in the OEC, being organised as a `3 + 1' (trimer plus one) model (Gatt et al., Angew. Chem. Int. Ed. 51, 12025-12028 2012; Petrie et al., Chem. A Eur. J. 21, 6780-6792 2015; Terrett et al., Chem. Commun. (Camb.) 50, 8-11 2014) or `dimer of dimers' model (Terrett et al. 2016). The question that still remains is how much does each Mn ion contribute to the " g2multiline" signal through its hyperfine interactions in OEC also to differentiate between the `high oxidation state (HOS)' and `low oxidation state (LOS)' paradigms? This is revealed in part by the structure of multiline (ML) signal studied in this project. Two possibilities have been proposed for the redox levels of the Mn ions within the catalytic cluster, the so called `HOS' and `LOS' paradigms (Gatt et al., J. Photochem. Photobiol. B 104(1-2), 80-93 2011). The method of data analysis involves numerical simulations of the experimental spectra on relevant models of the OEC cluster. The simulations of the X-band CW-EPR multiline spectra, revealed three manganese ions having hyperfine couplings with large anisotropy. These are most likely Mn III centres and these clearly support the `LOS' OEC paradigm model, with a mean oxidation of 3.25 in the S2 state. This is consistent with the earlier data by Jin et

  8. Combining active-space coupled-cluster methods with moment energy corrections via the CC(P;Q) methodology, with benchmark calculations for biradical transition states.

    Science.gov (United States)

    Shen, Jun; Piecuch, Piotr

    2012-04-14

    We have recently suggested the CC(P;Q) methodology that can correct energies obtained in the active-space coupled-cluster (CC) or equation-of-motion (EOM) CC calculations, which recover much of the nondynamical and some dynamical electron correlation effects, for the higher-order, mostly dynamical, correlations missing in the active-space CC/EOMCC considerations. It is shown that one can greatly improve the description of biradical transition states, both in terms of the resulting energy barriers and total energies, by combining the CC approach with singles, doubles, and active-space triples, termed CCSDt, with the CC(P;Q)-style correction due to missing triple excitations defining the CC(t;3) approximation.

  9. The Cluster as Market Organization

    DEFF Research Database (Denmark)

    Maskell, Peter; Lorenzen, Mark

    2003-01-01

    The many competing schools of thought concerning themselves with industrial clusters have atleast one thing in common: they all agree that clusters are real life phenomena characterized bythe co-localization of separate economic entities, which are in some sense related, but not joinedtogether by...... organization or market form. The cluster is one suchspecific market organization that is structured along territorial lines because this enables thebuilding of a set of institutions that are helpful in conducting certain kinds of economicactivities....

  10. Regulation of human Nfu activity in Fe-S cluster delivery-characterization of the interaction between Nfu and the HSPA9/Hsc20 chaperone complex.

    Science.gov (United States)

    Wachnowsky, Christine; Liu, Yushi; Yoon, Taejin; Cowan, J A

    2018-01-01

    Iron-sulfur cluster biogenesis is a complex, but highly regulated process that involves de novo cluster formation from iron and sulfide ions on a scaffold protein, and subsequent delivery to final targets via a series of Fe-S cluster-binding carrier proteins. The process of cluster release from the scaffold/carrier for transfer to the target proteins may be mediated by a dedicated Fe-S cluster chaperone system. In human cells, the chaperones include heat shock protein HSPA9 and the J-type chaperone Hsc20. While the role of chaperones has been somewhat clarified in yeast and bacterial systems, many questions remain over their functional roles in cluster delivery and interactions with a variety of human Fe-S cluster proteins. One such protein, Nfu, has recently been recognized as a potential interaction partner of the chaperone complex. Herein, we examined the ability of human Nfu to function as a carrier by interacting with the human chaperone complex. Human Nfu is shown to bind to both chaperone proteins with binding affinities similar to those observed for IscU binding to the homologous HSPA9 and Hsc20, while Nfu can also stimulate the ATPase activity of HSPA9. Additionally, the chaperone complex was able to promote Nfu function by enhancing the second-order rate constants for Fe-S cluster transfer to target proteins and providing directionality in cluster transfer from Nfu by eliminating promiscuous transfer reactions. Together, these data support a hypothesis in which Nfu can serve as an alternative carrier protein for chaperone-mediated cluster release and delivery in Fe-S cluster biogenesis and trafficking. © 2017 Federation of European Biochemical Societies.

  11. Costs and effects of a state-wide health promotion program in primary schools in Germany - the Baden-Württemberg Study: A cluster-randomized, controlled trial.

    Directory of Open Access Journals (Sweden)

    Dorothea Kesztyüs

    Full Text Available To evaluate the cost-effectiveness of the state-wide implementation of the health promotion program "Join the Healthy Boat" in primary schools in Germany.Cluster-randomized intervention trial with wait-list control group. Anthropometric data of 1733 participating children (7.1 ± 0.6 years were taken by trained staff before and after a one year intervention period in the academic year 2010/11. Parents provided information about the health status, and the health behaviour of their children and themselves, parental anthropometrics, and socio-economic background variables. Incidence of abdominal obesity, defined as waist-to-height ratio (WHtR ≥ 0.5, was determined. Generalized linear models were applied to account for the clustering of data within schools, and to adjust for baseline-values. Losses to follow-up and missing data were analysed. From a societal perspective, the overall costs, costs per pupil, and incremental cost-effectiveness ratio (ICER to identify the costs per case of averted abdominal obesity were calculated.The final regression model for the incidence of abdominal obesity shows lower odds for the intervention group after an adjustment for grade, gender, baseline WHtR, and breakfast habits (odds ratio = 0.48, 95% CI [0.25; 0.94]. The intervention costs per child/year were €25.04. The costs per incidental case of averted abdominal obesity varied between €1515 and €1993, depending on the different dimensions of the target group.This study demonstrates the positive effects of state-wide, school-based health promotion on incidental abdominal obesity, at affordable costs and with proven cost-effectiveness. These results should support allocative decisions of policymakers. An early start to the prevention of abdominal obesity is of particular importance because of its close relationship to non-communicable diseases.German Clinical Trials Register (DRKS, Freiburg University, Germany, DRKS-ID: DRKS00000494.

  12. Study of the optical properties and the carbonaceous clusters in thermally-annealed CR-39 and Makrofol-E polymer-based solid-state nuclear track detectors

    International Nuclear Information System (INIS)

    El Ghazaly, M.

    2012-01-01

    The induced modifications in the optical properties of CR-39 and Makrofol-E polymer-based solid state nuclear track detectors were investigated after thermal annealing at a temperature of 200 .deg. C for different durations. The optical properties were studied using an UV-visible spectrophotometer. From the UV-visible spectra, the direct and the indirect optical band gaps, Urbach's energies, and the number of carbon atoms in a cluster were determined. The absorbance of CR-39 plastic detector was found to decrease with increasing annealing time while the absorbance of Makrofol-E decreased with increasing annealing time. The width of the tail of localized states in the band gap ΔE was evaluated with the Urbach method. The optical energy band gaps were obtained from the direct and the indirect allowed transitions in K-space. Both of the direct and the indirect band gaps of the annealed CR-39 detector decrease with increasing annealing time while in Makrofol-E, they decreased after an annealing time of 15 minute and then showed no remarkable changes for a prolonged annealing times. Urbach's energy decreased significantly for both CR-39 and Makrofol-E with increasing annealing time. The number of carbon atoms in a cluster increased in the CR-39 detector with increasing annealing time while it decreased with increasing annealing time for Makrofol-E. We may conclude that the CR-39 detector undergoes greater modifications than the Makrofol-E detector upon thermal annealing at 200 .deg. C. In conclusion, the induced modifications in the optical properties of CR-39 and Makrofol-E are correlated with the temperature and the duration of annealing.

  13. Molecular characterization of a conserved archaeal copper resistance (cop) gene cluster and its copper-responsive regulator in Sulfolobus solfataricus P2

    NARCIS (Netherlands)

    Ettema, T.J.G.; Brinkman, A.B.; Lamers, P.P.; Kornet, N.; Vos, de W.M.; Oost, van der J.

    2006-01-01

    Using a comparative genomics approach, a copper resistance gene cluster has been identified in multiple archaeal genomes. The cop cluster is predicted to encode a metallochaperone (CopM), a P-type copper-exporting ATPase (CopA) and a novel, archaea-specific transcriptional regulator (CopT) which

  14. Chemistry of atmospheric nucleation: on the recent advances on precursor characterization and atmospheric cluster composition in connection with atmospheric new particle formation.

    Science.gov (United States)

    Kulmala, M; Petäjä, T; Ehn, M; Thornton, J; Sipilä, M; Worsnop, D R; Kerminen, V-M

    2014-01-01

    The recent development in measurement techniques and theoretical understanding has enabled us to study atmospheric vapor, cluster and nanoparticle concentrations, dynamics, and their connection to atmospheric nucleation. Here we present a summary of the chemistry of atmospheric clustering, growing nanoparticles, and their precursors. In this work, we focus particularly on atmospheric gas-to-particle conversion and recent progress in its understanding.

  15. Preliminary results of steady state characterization of near term electric vehicle breadboard propulsion system

    Science.gov (United States)

    Sargent, N. B.

    1980-01-01

    The steady state test results on a breadboard version of the General Electric Near Term Electric Vehicle (ETV-1) are discussed. The breadboard was built using exact duplicate vehicle propulsion system components with few exceptions. Full instrumentation was provided to measure individual component efficiencies. Tests were conducted on a 50 hp dynamometer in a road load simulator facility. Characterization of the propulsion system over the lower half of the speed-torque operating range has shown the system efficiency to be composed of a predominant motor loss plus a speed dependent transaxle loss. At the lower speeds with normal road loads the armature chopper loss is also a significant factor. At the conditions corresponding to a cycle for which the vehicle system was specifically designed, the efficiencies are near optimum.

  16. DEVELOPMENT AND CHARACTERIZATION OF NOVEL COMPLEX HYDRIDESSYNTHESIZED VIA MOLTEN STATE PROCESSING

    Energy Technology Data Exchange (ETDEWEB)

    Zidan, R

    2006-01-09

    This study developed novel hydrides for hydrogen storage through a novel synthesis technique utilizing high hydrogen overpressure at elevated temperatures denoted as Molten State Processing, MSP. The ultimate goal is to produce materials that have high hydrogen capacity, are stable after cycling and possess favorable thermodynamic and kinetic characteristics compatible with onboard hydrogen storage for automotive applications. In order to achieve these goals the MSP Process was developed and used to modify and form new complex hydride compounds with desired characteristics. This synthesis technique holds the potential of fusing different known complex hydrides at elevated temperatures and pressures to form new complexes having different sorption and thermodynamic properties. The new complex hydrides produced by this method were identified through structural determination and thermodynamic characterization in order to achieve a more fundamental understanding of their formation and dissociation mechanisms.

  17. Characterization of clays used in red ceramic in Sergipe State, Brazil

    International Nuclear Information System (INIS)

    Prado, C.M. de O.; Junior, F.S.; Nascimento, J.M. do; Barreto, C.A.; Bertolino, L.C.; Franca, S.C.A.; Alves, J. do P.H.

    2012-01-01

    Clays materials from Sergipe State were characterized by X-ray diffractometry and fluorescence, particle size and plasticity. Predominant minerals in twenty two samples were kaolinite, halloysite and quartz. Chemical composition ranges were: SiO 2 49,5-77,1; Al 2 O 3 10,4-28,3; Fe 2 O 3 1,0-10,2; TiO 2 0,4-1,2; P 2 O 5 0,04-0,2; CaO 0,03-7,9; MgO 0,1-3,2; Na 2 O 0,04-2,3; K 2 O 0,7-3,8 found predominantly in the silt fraction. Plasticity ranged from 19,9 to 30,1%. Results allowed clay materials deposits to be arranged in categories such as: melting sources, quartz sources and those with higher iron oxides concentrations. These categories can be used for selecting clays for ceramic production. (author)

  18. Avoiding drying-artifacts in transmission electron microscopy: Characterizing the size and colloidal state of nanoparticles

    Science.gov (United States)

    Michen, Benjamin; Geers, Christoph; Vanhecke, Dimitri; Endes, Carola; Rothen-Rutishauser, Barbara; Balog, Sandor; Petri-Fink, Alke

    2015-01-01

    Standard transmission electron microscopy nanoparticle sample preparation generally requires the complete removal of the suspending liquid. Drying often introduces artifacts, which can obscure the state of the dispersion prior to drying and preclude automated image analysis typically used to obtain number-weighted particle size distribution. Here we present a straightforward protocol for prevention of the onset of drying artifacts, thereby allowing the preservation of in-situ colloidal features of nanoparticles during TEM sample preparation. This is achieved by adding a suitable macromolecular agent to the suspension. Both research- and economically-relevant particles with high polydispersity and/or shape anisotropy are easily characterized following our approach (http://bsa.bionanomaterials.ch), which allows for rapid and quantitative classification in terms of dimensionality and size: features that are major targets of European Union recommendations and legislation. PMID:25965905

  19. Cluster editing

    DEFF Research Database (Denmark)

    Böcker, S.; Baumbach, Jan

    2013-01-01

    . The problem has been the inspiration for numerous algorithms in bioinformatics, aiming at clustering entities such as genes, proteins, phenotypes, or patients. In this paper, we review exact and heuristic methods that have been proposed for the Cluster Editing problem, and also applications...

  20. Characterization of hepatitis B virus in Amerindian children and mothers from Amazonas State, Colombia.

    Science.gov (United States)

    Jaramillo, Carlos Mario; de La Hoz, Fernando; Porras, Alexandra; di Filippo, Diana; Choconta-Piraquive, Luz Angela; Payares, Edra; Montes, Neyla; Navas, Maria-Cristina

    2017-01-01

    Hepatitis B Virus (HBV) infection is a worldwide public health problem. In the 1980's a highly effective and safe vaccine against HBV was developed, although breakthrough infection still occasionally occurs because of the emergence of escape mutants. The aim of this study was to identify HBV genotypes and escape mutants in children and their mothers in Amerindian communities of the Amazonas State, Southern Colombia. Blood specimens collected from children and mothers belonging to 37 Amerindian communities in Amazonas state, were screened for HBsAg and anti-HBc using ELISA. The partial region containing the S ORF was amplified by nested PCR, and amplicons were sequenced. The phylogenetic analysis was performed using the MEGA 5.05 software. Forty-six children (46/1275, 3.6%) and one hundred and seventy-seven mothers (177/572, 30.9%) were tested positive for the anti-HBc serological marker. Among them, 190 samples were tested for viral genome detection; 8.3% (2/31) serum samples obtained from children and 3.1% (5/159) from mothers were positive for the ORF S PCR. The predominant HBV genotype in the study population was F, subgenotype F1b; in addition, subgenotype F1a and genotype A were also characterized. Two HBV escape mutants were identified, G145R, reported worldwide, and W156*; this stop codon was identified in a child with occult HBV infection. Other mutations were found, L109R and G130E, located in critical positions of the HBsAg sequence. This study aimed to characterize the HBV genotype F, subgenotypes F1b and F1a, and genotype A in Amerindian communities and for the first time escape mutants in Colombia. Further investigations are necessary to elucidate the frequency and the epidemiological impact of the escape mutants in the country.

  1. Characterization of size, surface charge, and agglomeration state of nanoparticle dispersions for toxicological studies

    International Nuclear Information System (INIS)

    Jiang Jingkun; Oberdoerster, Guenter; Biswas, Pratim

    2009-01-01

    Characterizing the state of nanoparticles (such as size, surface charge, and degree of agglomeration) in aqueous suspensions and understanding the parameters that affect this state are imperative for toxicity investigations. In this study, the role of important factors such as solution ionic strength, pH, and particle surface chemistry that control nanoparticle dispersion was examined. The size and zeta potential of four TiO 2 and three quantum dot samples dispersed in different solutions (including one physiological medium) were characterized. For 15 nm TiO 2 dispersions, the increase of ionic strength from 0.001 M to 0.1 M led to a 50-fold increase in the hydrodynamic diameter, and the variation of pH resulted in significant change of particle surface charge and the hydrodynamic size. It was shown that both adsorbing multiply charged ions (e.g., pyrophosphate ions) onto the TiO 2 nanoparticle surface and coating quantum dot nanocrystals with polymers (e.g., polyethylene glycol) suppressed agglomeration and stabilized the dispersions. DLVO theory was used to qualitatively understand nanoparticle dispersion stability. A methodology using different ultrasonication techniques (bath and probe) was developed to distinguish agglomerates from aggregates (strong bonds), and to estimate the extent of particle agglomeration. Probe ultrasonication performed better than bath ultrasonication in dispersing TiO 2 agglomerates when the stabilizing agent sodium pyrophosphate was used. Commercially available Degussa P25 and in-house synthesized TiO 2 nanoparticles were used to demonstrate identification of aggregated and agglomerated samples.

  2. Characterization of mitochondrial haplogroups in a large population-based sample from the United States.

    Science.gov (United States)

    Mitchell, Sabrina L; Goodloe, Robert; Brown-Gentry, Kristin; Pendergrass, Sarah A; Murdock, Deborah G; Crawford, Dana C

    2014-07-01

    Mitochondrial DNA (mtDNA) haplogroups are valuable for investigations in forensic science, molecular anthropology, and human genetics. In this study, we developed a custom panel of 61 mtDNA markers for high-throughput classification of European, African, and Native American/Asian mitochondrial haplogroup lineages. Using these mtDNA markers, we constructed a mitochondrial haplogroup classification tree and classified 18,832 participants from the National Health and Nutrition Examination Surveys (NHANES). To our knowledge, this is the largest study to date characterizing mitochondrial haplogroups in a population-based sample from the United States, and the first study characterizing mitochondrial haplogroup distributions in self-identified Mexican Americans separately from Hispanic Americans of other descent. We observed clear differences in the distribution of maternal genetic ancestry consistent with proposed admixture models for these subpopulations, underscoring the genetic heterogeneity of the United States Hispanic population. The mitochondrial haplogroup distributions in the other self-identified racial/ethnic groups within NHANES were largely comparable to previous studies. Mitochondrial haplogroup classification was highly concordant with self-identified race/ethnicity (SIRE) in non-Hispanic whites (94.8 %), but was considerably lower in admixed populations including non-Hispanic blacks (88.3 %), Mexican Americans (81.8 %), and other Hispanics (61.6 %), suggesting SIRE does not accurately reflect maternal genetic ancestry, particularly in populations with greater proportions of admixture. Thus, it is important to consider inconsistencies between SIRE and genetic ancestry when performing genetic association studies. The mitochondrial haplogroup data that we have generated, coupled with the epidemiologic variables in NHANES, is a valuable resource for future studies investigating the contribution of mtDNA variation to human health and disease.

  3. Characterization of hepatitis B virus in Amerindian children and mothers from Amazonas State, Colombia.

    Directory of Open Access Journals (Sweden)

    Carlos Mario Jaramillo

    Full Text Available Hepatitis B Virus (HBV infection is a worldwide public health problem. In the 1980's a highly effective and safe vaccine against HBV was developed, although breakthrough infection still occasionally occurs because of the emergence of escape mutants. The aim of this study was to identify HBV genotypes and escape mutants in children and their mothers in Amerindian communities of the Amazonas State, Southern Colombia.Blood specimens collected from children and mothers belonging to 37 Amerindian communities in Amazonas state, were screened for HBsAg and anti-HBc using ELISA. The partial region containing the S ORF was amplified by nested PCR, and amplicons were sequenced. The phylogenetic analysis was performed using the MEGA 5.05 software.Forty-six children (46/1275, 3.6% and one hundred and seventy-seven mothers (177/572, 30.9% were tested positive for the anti-HBc serological marker. Among them, 190 samples were tested for viral genome detection; 8.3% (2/31 serum samples obtained from children and 3.1% (5/159 from mothers were positive for the ORF S PCR. The predominant HBV genotype in the study population was F, subgenotype F1b; in addition, subgenotype F1a and genotype A were also characterized. Two HBV escape mutants were identified, G145R, reported worldwide, and W156*; this stop codon was identified in a child with occult HBV infection. Other mutations were found, L109R and G130E, located in critical positions of the HBsAg sequence.This study aimed to characterize the HBV genotype F, subgenotypes F1b and F1a, and genotype A in Amerindian communities and for the first time escape mutants in Colombia. Further investigations are necessary to elucidate the frequency and the epidemiological impact of the escape mutants in the country.

  4. Solid-state characterization and impurities determination of fluconazol generic products marketed in Morocco

    Science.gov (United States)

    Bourichi, Houda; Brik, Youness; Hubert, Philipe; Cherrah, Yahia; Bouklouze, Abdelaziz

    2012-01-01

    In this paper, we report the results of quality control based in physicochemical characterization and impurities determination of three samples of fluconazole drug substances marketed in Morocco. These samples were supplied by different pharmaceuticals companies. The sample A, as the discovered product, was supplied by Pfizer, while samples B and C (generics), were manufactured by two different Indian industries. Solid-state characterization of the three samples was realized with different physicochemical methods as: X-ray powder diffraction, Fourier-transformation infrared spectroscopy, differential scanning calorimetry. High performance liquid chromatography was used to quantify the impurities in the different samples. The results from the physicochemical methods cited above, showed difference in polymorph structure of the three drug substances. Sample A consisted in pure polymorph III, sample B consisted in pure polymorph II, sample C consisted in a mixture of fluconazole Form III, form II and the monohydrate. This result was confirmed by differential scanning calorimetry. Also it was demonstrated that solvents used during the re-crystallization step were among the origins of these differences in the structure form. On the other hand, the result of the stability study under humidity and temperature showed that fluconazole polymorphic transformation could be owed to the no compliance with the conditions of storage. The HPLC analysis of these compounds showed the presence of specific impurities for each polymorphic form, and a possible relationship could be exist between impurities and crystalline form of fluconazole. PMID:29403776

  5. Characterization and classification of two soils derived from basic rocks in Pernambuco State Coast, Northeast Brazil

    Directory of Open Access Journals (Sweden)

    Oliveira Lindomário Barros de

    2004-01-01

    Full Text Available Geomorphic surfaces that present soils derived from basic rocks under warm and humid climate are unique scenarios for studying tropical soils. This paper aimed to characterize and classify two pedons derived from basalt at the Atlantic Forest Zone, Pernambuco State, Northeastern coast of Brazil. Two representative pedons (P1 and P2 were selected on a hillslope at the Cabo de Santo Agostinho municipality. Field macromorphological descriptions were carried out and soil horizon were sampled for physical, chemical, mineralogical and micromorphological characterization. The soils were classified, according to the Brazilian System of Soil Classification (and US Soil Taxonomy as: "Latossolo Vermelho-Amarelo distroférrico argissólico" (Typic Hapludox (P1 and "Nitossolo Vermelho distroférrico típico" (Rhodic Paleudult (P2. Pedon 1 differs from Pedon 2 in some aspects. For instance, P1 presents more yellowish colors, absence of clay illuviation, more friable consistence and the prismatic structure undergoes transformation to angular and subangular blocks. Pedon 2 presents ferri-argilans and leptocutans which indicate that vertical and lateral illuviation of clay is an active process in their formation. These chemically poor and mineralogically uniform soils are a result of the high temperature and rainfall of the studied area.

  6. The Ocean Carbon States Database: a proof-of-concept application of cluster analysis in the ocean carbon cycle

    Science.gov (United States)

    Latto, Rebecca; Romanou, Anastasia

    2018-03-01

    In this paper, we present a database of the basic regimes of the carbon cycle in the ocean, the ocean carbon states, as obtained using a data mining/pattern recognition technique in observation-based as well as model data. The goal of this study is to establish a new data analysis methodology, test it and assess its utility in providing more insights into the regional and temporal variability of the marine carbon cycle. This is important as advanced data mining techniques are becoming widely used in climate and Earth sciences and in particular in studies of the global carbon cycle, where the interaction of physical and biogeochemical drivers confounds our ability to accurately describe, understand, and predict CO2 concentrations and their changes in the major planetary carbon reservoirs. In this proof-of-concept study, we focus on using well-understood data that are based on observations, as well as model results from the NASA Goddard Institute for Space Studies (GISS) climate model. Our analysis shows that ocean carbon states are associated with the subtropical-subpolar gyre during the colder months of the year and the tropics during the warmer season in the North Atlantic basin. Conversely, in the Southern Ocean, the ocean carbon states can be associated with the subtropical and Antarctic convergence zones in the warmer season and the coastal Antarctic divergence zone in the colder season. With respect to model evaluation, we find that the GISS model reproduces the cold and warm season regimes more skillfully in the North Atlantic than in the Southern Ocean and matches the observed seasonality better than the spatial distribution of the regimes. Finally, the ocean carbon states provide useful information in the model error attribution. Model air-sea CO2 flux biases in the North Atlantic stem from wind speed and salinity biases in the subpolar region and nutrient and wind speed biases in the subtropics and tropics. Nutrient biases are shown to be most important in

  7. The Ocean Carbon States Database: A Proof-of-Concept Application of Cluster Analysis in the Ocean Carbon Cycle

    Science.gov (United States)

    Latto, Rebecca; Romanou, Anastasia

    2018-01-01

    In this paper, we present a database of the basic regimes of the carbon cycle in the ocean, the 'ocean carbon states', as obtained using a data mining/pattern recognition technique in observation-based as well as model data. The goal of this study is to establish a new data analysis methodology, test it and assess its utility in providing more insights into the regional and temporal variability of the marine carbon cycle. This is important as advanced data mining techniques are becoming widely used in climate and Earth sciences and in particular in studies of the global carbon cycle, where the interaction of physical and biogeochemical drivers confounds our ability to accurately describe, understand, and predict CO2 concentrations and their changes in the major planetary carbon reservoirs. In this proof-of-concept study, we focus on using well-understood data that are based on observations, as well as model results from the NASA Goddard Institute for Space Studies (GISS) climate model. Our analysis shows that ocean carbon states are associated with the subtropical-subpolar gyre during the colder months of the year and the tropics during the warmer season in the North Atlantic basin. Conversely, in the Southern Ocean, the ocean carbon states can be associated with the subtropical and Antarctic convergence zones in the warmer season and the coastal Antarctic divergence zone in the colder season. With respect to model evaluation, we find that the GISS model reproduces the cold and warm season regimes more skillfully in the North Atlantic than in the Southern Ocean and matches the observed seasonality better than the spatial distribution of the regimes. Finally, the ocean carbon states provide useful information in the model error attribution. Model air-sea CO2 flux biases in the North Atlantic stem from wind speed and salinity biases in the subpolar region and nutrient and wind speed biases in the subtropics and tropics. Nutrient biases are shown to be most important

  8. Organometallic Trinuclear Niobium Cluster Complex in Aqueous Solution: Synthesis and Characterization of Niobium Complexes Containing Nb-3(mu-eta(2):eta(2) (perpendicular to)-NCCH3)(mu(2)-O)(3)(6+) Cluster Core

    DEFF Research Database (Denmark)

    Joensen, H.A.N.; Hansson, G. K.; Kozlova, S.G.

    2010-01-01

    thiocyanate to give the green thiocyanate derivative, which was crystallized as ((CH3)(3)NH)(3)[Nb-3(mu-eta(2):eta(2)-NCCH3)O-3(NCS)(9)]center dot 2.5H(2)O (1) and subjected to X-ray structure analysis. Density-functional theory (DFT) calculations fully supported the structure of the cluster....

  9. Low Temperature Solid-State Synthesis and Characterization of LaBO3

    Directory of Open Access Journals (Sweden)

    Azmi Seyhun KIPÇAK

    2016-11-01

    Full Text Available Rare earth (lanthanide series borates, possess high vacuum ultraviolet (VUV transparency, large electronic band gaps, chemical and environmental stability and exceptionally large optical damage thresholds and used in the development of plasma display panels (PDPs. In this study the synthesis of lanthanum borates via solid-state method is studied. For this purpose, lanthanum oxide (La2O3 and boric acid (H3BO3 are used for as lanthanum and boron sources, respectively. Different elemental molar ratios of La to B (between 3:1 to 1:6 as La2O3:H3BO3 were reacted by solid-state method at the reaction temperatures between 500°C - 700°C with the constant reaction time of 4 h. Following the synthesis, characterizations of the synthesized products are conducted by X-ray diffraction (XRD, Fourier transform infrared spectroscopy (FT-IR, Raman spectroscopy and scanning electron microscope (SEM. From the results of the experiments, three types of lanthanum borates of; La3BO6, LaBO3 and La(BO23 were observed at different reaction parameters. Among these three types of lanthanum borates LaBO3 phase were obtained as a major phase.

  10. Solid-state Chemical Reaction Synthesis and Characterization of Lanthanum Tartrate Nanocrystallites Under Ultrasonication Spectra

    Science.gov (United States)

    Li, Dao-hua; He, Shao-fen; Chen, Jie; Jiang, Cheng-yan; Yang, Cheng

    2017-09-01

    Under near room temperature, by using sodium tartrate, lanthanum trichloride, lanthanum acetate, and lanthanum nitrate as reactants, we synthesize the lanthanum tartrate nanocrystals in one step under the condition that the infrared lamp is irradiated and the polyethylene glycol 400 is used as the surfactant, where the synthesis method of nanoparticles by solid phase chemical reaction is used. Deionized water after washing with ethanol washes. Tartaric acid lanthanum crystalline powder is gotten, respectively. Analyze solid products phase using X-ray diffraction (XRD) and electron diffraction; characterize the functional groups structure with infrared spectra, and analyzethe change of functional groups in drugs before and after reaction; observe the size, shape, and size distribution of particlesby transmission electron microscopy(TEM). Testing 3 types of tartaric acid crystal powder of lanthanum are nano-crystallization, solid products are granular and relatively uniform in size, with an average particle diameter of about 40 nm, and the yield rate is approximately 92.3%. Furthermore, during the synthesis, the solid-state reaction conditions including raw materials, matching proportion of reactants, additions of inert substance, addition of trace solvents, surfactants and porphyrization time, etc, all have some influence on the morphology, particle size and size distribution of the final products. During the synthesis of the lanthanum tartrate nanocrystallites, the solid state reaction conditions such as changing reactant, matching proportion of reactant, adding inert substance, joining a little solvent or surface active solvent and grinding at different times may influence morphology, particle size and the size distribution of final products.

  11. Characterization of Clostridium Species from Food Commodities and Faecal Specimens in Lagos State, Nigeria.

    Science.gov (United States)

    Chukwu, E E; Ogunsola, F T; Nwaokorie, F O; Coker, A O

    2015-01-01

    Food-borne pathogens are a major public health challenge worldwide. These organisms' cause illnesses leading to time loss in the work place and reduced productivity.Clostridium species cause infections through the production of powerful toxins which are responsible for diarrhoea and cramping. Diarrhoeal diseases due to Clostridia are one of the commonest worldwide but have hardly been reported in Nigeria. This study characterized Clostridium species from food commodities and human faeces in Lagos State MATERIALS AND METHODS: Four hundred and twenty samples comprising food (220) and faecal (200) specimens in Lagos state were included in this study. Isolates obtained were identified using API 20-A and confirmed by Polymerase Chain Reaction assay and 16S rRNA sequencing. The food samples included meat and meat products, ready to drink traditionally prepared milk products, fresh vegetables, canned foods and local honey. Seventy (16.7%) Clostridium species were identified, 50 from food and 20 from faeces. Majority of the isolates were obtained from vegetables (56%) and meat products (34%). Of the 70 Clostridial species, 38 (54.3%) were C. perfringens, 5 (7.1%) were C. difficile and 2 (2.9%) were C. botulinum. All 38 (100%) strains of C. perfringens possessed alpha (cpa) toxin gene. Clostridium species are present in our environment and contaminate food products posing potential risks to consumers. There is therefore a need for these traditionally made street vended foods to be monitored because they are potential sources of food borne pathogens.

  12. Solid-state NMR as a spectroscopic tool for characterizing phosphane-borane frustrated lewis pairs.

    Science.gov (United States)

    Wiegand, Thomas; Eckert, Hellmut; Grimme, Stefan

    2013-01-01

    Frustrated Lewis pair (FLP) chemistry has provided a new strategy for small molecule binding and/or catalytic activation. It is based on the cooperative reaction behavior of Lewis acid and Lewis base centers that are in close proximity to each other (e.g., within the same molecule) but cannot form a direct bond because of geometrical constraints. The most prominent FLPs are based on intramolecular phosphane-borane adducts, whose catalytic properties can be tailored over wide ranges of reactivity and selectivity. For the structural and chemical design of such systems, a fundamental understanding needs to be developed on how structure, dynamics and covalent interactions between the Lewis centers influence the reactivity profile. Advanced solid-state nuclear magnetic resonance (NMR) spectroscopic techniques afford new opportunities for addressing this challenge. Following a general introduction into the fundamentals of NMR spectroscopy, this review discusses the different types of internal interactions - magnetic shielding, nuclear electric quadrupolar coupling, indirect spin-spin interactions, and "through-space" dipole-dipole couplings - influencing NMR spectra in the solid state. As discussed in detail, each type of interaction bears specific informational content with regard to structural issues in FLP chemistry. One of the most attractive features of solid-state NMR is the possibility of tailoring the effective Hamiltonian by manipulations in either physical space or spin space. Using such "decoupling" or "recoupling" techniques certain types of interactions can be selectively turned off for spectral simplification or turned on for selective evaluation. The present review summarizes the most important selective averaging techniques that have found applications in the characterization of FLPs. In a second step the interaction parameters need to be connected with structure and bonding information. As illustrated in this chapter, ab initio calculations using density

  13. Clustering Dycom

    KAUST Repository

    Minku, Leandro L.

    2017-10-06

    Background: Software Effort Estimation (SEE) can be formulated as an online learning problem, where new projects are completed over time and may become available for training. In this scenario, a Cross-Company (CC) SEE approach called Dycom can drastically reduce the number of Within-Company (WC) projects needed for training, saving the high cost of collecting such training projects. However, Dycom relies on splitting CC projects into different subsets in order to create its CC models. Such splitting can have a significant impact on Dycom\\'s predictive performance. Aims: This paper investigates whether clustering methods can be used to help finding good CC splits for Dycom. Method: Dycom is extended to use clustering methods for creating the CC subsets. Three different clustering methods are investigated, namely Hierarchical Clustering, K-Means, and Expectation-Maximisation. Clustering Dycom is compared against the original Dycom with CC subsets of different sizes, based on four SEE databases. A baseline WC model is also included in the analysis. Results: Clustering Dycom with K-Means can potentially help to split the CC projects, managing to achieve similar or better predictive performance than Dycom. However, K-Means still requires the number of CC subsets to be pre-defined, and a poor choice can negatively affect predictive performance. EM enables Dycom to automatically set the number of CC subsets while still maintaining or improving predictive performance with respect to the baseline WC model. Clustering Dycom with Hierarchical Clustering did not offer significant advantage in terms of predictive performance. Conclusion: Clustering methods can be an effective way to automatically generate Dycom\\'s CC subsets.

  14. Clustering analysis

    International Nuclear Information System (INIS)

    Romli

    1997-01-01

    Cluster analysis is the name of group of multivariate techniques whose principal purpose is to distinguish similar entities from the characteristics they process.To study this analysis, there are several algorithms that can be used. Therefore, this topic focuses to discuss the algorithms, such as, similarity measures, and hierarchical clustering which includes single linkage, complete linkage and average linkage method. also, non-hierarchical clustering method, which is popular name K -mean method ' will be discussed. Finally, this paper will be described the advantages and disadvantages of every methods

  15. Cluster analysis

    CERN Document Server

    Everitt, Brian S; Leese, Morven; Stahl, Daniel

    2011-01-01

    Cluster analysis comprises a range of methods for classifying multivariate data into subgroups. By organizing multivariate data into such subgroups, clustering can help reveal the characteristics of any structure or patterns present. These techniques have proven useful in a wide range of areas such as medicine, psychology, market research and bioinformatics.This fifth edition of the highly successful Cluster Analysis includes coverage of the latest developments in the field and a new chapter dealing with finite mixture models for structured data.Real life examples are used throughout to demons

  16. Enhanced magnetostriction derived from magnetic single domain structures in cluster-assembled SmCo films

    Science.gov (United States)

    Bai, Yulong; Yang, Bo; Guo, Fei; Lu, Qingshan; Zhao, Shifeng

    2017-11-01

    Cluster-assembled SmCo alloy films were prepared by low energy cluster beam deposition. The structure, magnetic domain, magnetization, and magnetostriction of the films were characterized. It is shown that the as-prepared films are assembled in compact and uniformly distributed spherical cluster nanoparticles, most of which, after vacuum in situ annealing at 700 K, aggregated to form cluster islands. These cluster islands result in transformations from superparamagnetic states to magnetic single domain (MSD) states in the films. Such MSD structures contribute to the enhanced magnetostrictive behaviors with a saturation magnetostrictive coefficient of 160 × 10-6 in comparison to 105 × 10-6 for the as-prepared films. This work demonstrates candidate materials that could be applied in nano-electro-mechanical systems, low power information storage, and weak magnetic detecting devices.

  17. Randomization modeling to ascertain clustering patterns of human papillomavirus types detected in cervicovaginal samples in the United States.

    Directory of Open Access Journals (Sweden)

    Troy David Querec

    Full Text Available Detection of multiple human papillomavirus (HPV types in the genital tract is common. Associations among HPV types may impact HPV vaccination modeling and type replacement. The objectives were to determine the distribution of concurrent HPV type infections in cervicovaginal samples and examine type-specific associations. We analyzed HPV genotyping results from 32,245 cervicovaginal specimens collected from women aged 11 to 83 years in the United States from 2001 through 2011. Statistical power was enhanced by combining 6 separate studies. Expected concurrent infection frequencies from a series of permutation models, each with increasing fidelity to the real data, were compared with the observed data. Statistics were computed based on the distributional properties of the randomized data. Concurrent detection occurred more than expected with 0 or ≥3 HPV types and less than expected with 1 and 2 types. Some women bear a disproportionate burden of the HPV type prevalence. Type associations were observed that exceeded multiple hypothesis corrected significance. Multiple HPV types were detected more frequently than expected by chance and associations among particular HPV types were detected. However vaccine-targeted types were not specifically affected, supporting the expectation that current bivalent/quadrivalent HPV vaccination will not result in type replacement with other high-risk types.

  18. Seismic refraction technique aplications in the geotechnical characterization of the Cachoeira deposit massif, Caetite, State of Bahia, Brazil

    International Nuclear Information System (INIS)

    Malagutti Filho, W.; Oliveira Braga, T. de.

    1984-01-01

    Geophysical surveys throught the Cachoeira Uranium deposit massif were carried out with the purpose of assisting in the geotechnical characterization for the implantation of the Mining-Industrial Complex projects on the Lagoa Real uranium deposits, Caetite municipality, state of Bahia, Brazil. This study discusses the methodology utilized in the geophysical surveys and their results as well as their applications to the geotechnical characterization as a whole. (D.J.M.) [pt

  19. Identification and Characterization of Mycemycin Biosynthetic Gene Clusters in Streptomyces olivaceus FXJ8.012 and Streptomyces sp. FXJ1.235

    Directory of Open Access Journals (Sweden)

    Fangying Song

    2018-03-01

    Full Text Available Mycemycins A–E are new members of the dibenzoxazepinone (DBP family, derived from the gntR gene-disrupted deep sea strain Streptomyces olivaceus FXJ8.012Δ1741 and the soil strain Streptomyces sp. FXJ1.235. In this paper, we report the identification of the gene clusters and pathways’ inference for mycemycin biosynthesis in the two strains. Bioinformatics analyses of the genome sequences of S. olivaceus FXJ8.012Δ1741 and S. sp. FXJ1.235 predicted two divergent mycemycin gene clusters, mym and mye, respectively. Heterologous expression of the key enzyme genes of mym and genetic manipulation of mye as well as a feeding study in S. sp. FXJ1.235 confirmed the gene clusters and led to the proposed biosynthetic pathways for mycemycins. To the best of our knowledge, this is the first report on DBP biosynthetic gene clusters and pathways.

  20. Genomic and Functional Characterization of the Unusual pLOCK 0919 Plasmid Harboring the spaCBA Pili Cluster in Lactobacillus casei LOCK 0919

    Czech Academy of Sciences Publication Activity Database

    Aleksandrzak-Piekarczyk, T.; Koryszewska-Baginska, A.; Grynberg, M.; Nowak, A.; Cukrowska, B.; Kozáková, Hana; Bardowski, J.

    2016-01-01

    Roč. 8, č. 1 (2016), s. 202-217 ISSN 1759-6653 Institutional support: RVO:61388971 Keywords : adhesion * spaCBA pilus cluster * lactobacillus Subject RIV: EC - Immunology Impact factor: 3.979, year: 2016

  1. Occupational Clusters.

    Science.gov (United States)

    Pottawattamie County School System, Council Bluffs, IA.

    The 15 occupational clusters (transportation, fine arts and humanities, communications and media, personal service occupations, construction, hospitality and recreation, health occupations, marine science occupations, consumer and homemaking-related occupations, agribusiness and natural resources, environment, public service, business and office…

  2. Cancer Clusters

    Science.gov (United States)

    ... Peer Review and Funding Outcomes Step 4: Award Negotiation & Issuance Manage Your Award Grants Management Contacts Monitoring ... potentially hazardous working conditions, including suspected cancer clusters. Employees, authorized employee representatives, and employers can request these ...

  3. Structural analysis and magmatism characterization of the Major Gercino shear zone, Santa Catarina State, Brazil

    International Nuclear Information System (INIS)

    Passarelli, Claudia Regina

    1996-01-01

    This work describes the geometric and kinematic characteristics of the Major Gercino Shear Zone (MGSZ) in the Canelinha-Garcia area. This shear zone is one of the major lineaments that affect all southern Brazilian precambrian terrains. In Santa Catarina State, it separates, along its whole extension, the supracrustal rocks of the Brusque belt (northern part) from the Granitoid belt (southern). This zone is characterized by a regional NE trend and a dextral sense of movement where ductile-brittle structures predominate. The MGSZ is composed of two mylonitic belts separated by granitoid rocks probably associated to the development of the shear zone. Both shear zones show cataclastic to ultra mylonitic rocks, but mylonites and protomylonites conditions at high strain rate. The calc-alkaline granitoids present in the area can be grouped in two granitoid associations with meta to peraluminous affinities. The Rolador Granitoid Association is characterized by grayish porphyritic biotite-monzogranites and the Fernandes Granitoid Association by coarsed-grained to porphyritic pinkish amphibole-syenogranites. The U-Pb and Rb-Sr ages range from 670 to 590 Ma with the Sr 87 / Sr 86 initial ratios suggesting a crustal contribution in the generation of these rocks. The importance of the pure shear component is also emphasized by the results of the Fry method. Many z axes of the strain ellipses are at high angle to the shear foliation. Symmetric porphyroclasts also corroborate this hypothesis. The micaceous minerals formed during the shear development indicate K-Ar ages around 555 ± 15 Ma. Brittle reactivations of the shear zone have been placed by K-Ar in fine-fraction materials at Triassic time (215 ± 15 Ma.)

  4. Characterization of pharmaceutically relevant materials at the solid state employing chemometrics methods.

    Science.gov (United States)

    Calvo, Natalia L; Maggio, Rubén M; Kaufman, Teodoro S

    2018-01-05

    The understanding of materials and processes is a requirement when it comes to build quality into pharmaceutical products. This can be achieved through the development of rapid, efficient and versatile analytical methods able to perform qualification or quantification tasks along the manufacturing and control process. Process monitoring, capable of providing reliable real-time insights into the processes performance during the manufacturing of solid dosage forms, are the key to improve such understanding. In response to these demands, in recent times multivariate chemometrics algorithms have been increasingly associated to different analytical techniques, mainly vibrational spectroscopies [Raman, mid-infrared (MIR), near-infrared (NIR)], but also ultraviolet-visible (UV-vis) spectroscopy, X-ray powder diffraction and other methodologies. The resulting associations have been applied to the characterization and evaluation of different aspects of pharmaceutical materials at the solid state. This review examines the different scenarios where these methodological marriages have been successful. The list of analytical problems and regulatory demands solved by chemometrics analysis of solid-state multivariate data covers the whole manufacturing and control processes of both, active pharmaceutical ingredients in bulk and in their drug products. Hence, these combinations have found use in monitoring the crystallization processes of drugs and supramolecular drug associations (co-crystals, co-amorphous and salts), to access the correct crystal morphology, particle size, solubility and dissolution properties. In addition, they have been applied to identify and quantitate specific compounds, mainly active pharmaceutical ingredients in complex solid state mixtures. This included drug stability against different stimuli, solid-state transformations, or detection of adulterated or fraudulent medicines. The use of chemometrics-assisted analytical methods as part of the modern

  5. Characterization of excited-state reactions with instant spectra of fluorescence kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Tomin, Vladimir I., E-mail: tomin@apsl.edu.pl; Ushakou, Dzmitryi V.

    2015-10-15

    Comprehensible knowledge of the excited-state proton transfer processes in organic compounds is overwhelmingly important not only for physics, but also chemistry and Life Sciences, since they play a key role in main processes of photosynthesis and functioning of biological organisms. Moreover compounds with Excited-State Intramolecular Proton Transfer (ESIPT) are in the focus of the interest of scientists throughout the world, because dual fluorescence spectra of such objects corresponding to two forms of molecular structure (normal and photoproduct) are very sensitive to characteristics of molecular microenvironment. This property allows to use such substances as fluorescent probes for diverse applications in chemistry and Life Sciences. But at the same time studying of proton transfer processes is not simple, because this process is characterized by extremely fast times (on picoseconds time scale and less order) and very often contribution of reverse reactions is essentially complicates an interpretation of observed properties of dual fluorescence. Hence, understanding of a role of reversible reactions is crucial for a comprehensive description of all processes accompanying excited state reactions. We discuss new approach for treatment ESIPT reaction on the basis of experimentally measured instant spectra of dual fluorescence and temporal behavior of ratiometric signal of normal to tautomer form intensities. Simple analytical expressions show in transparent way how to distinguish a degree of reverse reaction contribution to ratiometric signal. A validation of the approach under consideration is fulfilled with two different flavonols – 3-hydroxyflavone and 4′-(Dimethylamino)-3-hydroxyflavone – representing two extreme cases in affecting reversible reaction on dual emission. A comparing of new approach and traditional method when we analyze kinetics of separate the N* and T* fluorescence bands decays, has been carried out. - Highlights: • The excited-state

  6. Characterization of excited-state reactions with instant spectra of fluorescence kinetics

    International Nuclear Information System (INIS)

    Tomin, Vladimir I.; Ushakou, Dzmitryi V.

    2015-01-01

    Comprehensible knowledge of the excited-state proton transfer processes in organic compounds is overwhelmingly important not only for physics, but also chemistry and Life Sciences, since they play a key role in main processes of photosynthesis and functioning of biological organisms. Moreover compounds with Excited-State Intramolecular Proton Transfer (ESIPT) are in the focus of the interest of scientists throughout the world, because dual fluorescence spectra of such objects corresponding to two forms of molecular structure (normal and photoproduct) are very sensitive to characteristics of molecular microenvironment. This property allows to use such substances as fluorescent probes for diverse applications in chemistry and Life Sciences. But at the same time studying of proton transfer processes is not simple, because this process is characterized by extremely fast times (on picoseconds time scale and less order) and very often contribution of reverse reactions is essentially complicates an interpretation of observed properties of dual fluorescence. Hence, understanding of a role of reversible reactions is crucial for a comprehensive description of all processes accompanying excited state reactions. We discuss new approach for treatment ESIPT reaction on the basis of experimentally measured instant spectra of dual fluorescence and temporal behavior of ratiometric signal of normal to tautomer form intensities. Simple analytical expressions show in transparent way how to distinguish a degree of reverse reaction contribution to ratiometric signal. A validation of the approach under consideration is fulfilled with two different flavonols – 3-hydroxyflavone and 4′-(Dimethylamino)-3-hydroxyflavone – representing two extreme cases in affecting reversible reaction on dual emission. A comparing of new approach and traditional method when we analyze kinetics of separate the N* and T* fluorescence bands decays, has been carried out. - Highlights: • The excited-state

  7. Introduction: The Evolving Cluster and Protocluster Population.

    Science.gov (United States)

    Arnaud, Monique

    2017-07-01

    In this introductory talk, I place clusters and protoclusters, and their evolution, in the general context of the cosmic web formation. I also give an overview of the technics used to find clusters and their progenitors, and of the coverage of the redshift-mass plane achieved with current samples. I summarize the open questions that can be addressed from local merging cluster observations, statistical studies of the dynamical state of the cluster population, the cluster outskirts and protoclusters.

  8. Cluster generator

    Science.gov (United States)

    Donchev, Todor I [Urbana, IL; Petrov, Ivan G [Champaign, IL

    2011-05-31

    Described herein is an apparatus and a method for producing atom clusters based on a gas discharge within a hollow cathode. The hollow cathode includes one or more walls. The one or more walls define a sputtering chamber within the hollow cathode and include a material to be sputtered. A hollow anode is positioned at an end of the sputtering chamber, and atom clusters are formed when a gas discharge is generated between the hollow anode and the hollow cathode.

  9. A novel approach for the characterization of a bilayer of phenyl-c71-butyric-acid-methyl ester and pentacene using ultraviolet photoemission spectroscopy and argon gas cluster ion beam sputtering process

    International Nuclear Information System (INIS)

    Yun, Dong-Jin; Chung, JaeGwan; Jung, Changhoon; Chung, Yeonji; Kim, SeongHeon; Lee, Seunghyup; Kim, Ki-Hong; Han, Hyouksoo; Park, Gyeong-Su; Park, SungHoon

    2013-01-01

    The material arrangement and energy level alignment of an organic bilayer comprising of phenyl-c71-butyric-acid-methyl ester (PCBM-71) and pentacene were studied using ultraviolet photoelectron spectroscopy (UPS) and the argon gas cluster ion beam (GCIB) sputtering process. Although there is a small difference in the full width at half maximum of the carbon C 1s core level peaks and differences in the oxygen O 1s core levels of an X-ray photoemission spectroscopy spectra, these differences are insufficient to clearly distinguish between PCBM-71 and pentacene layers and to classify the interface and bulk regions. On the other hand, the valence band structures in the UPS spectra contain completely distinct configurations for the PCBM-71 and pentacene layers, even when they have similar atomic compositions. According to the valence band structures of the PCBM-71/pentacene/electrodes, the highest unoccupied molecular orbital (HOMO) region of pentacene is at least 0.8 eV closer to the Fermi level than that of PCBM-71 and it does not overlap with any of the chemical states in the valence band structure of PCBM-71. Therefore, by just following the variations in the area of the HOMO region of pentacene, the interface/bulk regions of the PCBM/pentacene layers were distinctly categorized. Besides, the variation of valence band structures as a function of the Ar GCIB sputtering time fully corroborated with the surface morphologies observed in the atomic force microscope images. In summary, we believe that the novel approach, which involves UPS analysis in conjunction with Ar GCIB sputtering, can be one of the best methods to characterize the material distribution and energy level alignments of stacks of organic layers

  10. Present status of nuclear cluster physics (Theory)

    International Nuclear Information System (INIS)

    Horiuchi, Hisashi

    2014-01-01

    Present status is discussed, from the theoretical viewpoint, for some selected topics of nuclear cluster physics. What is stressed here is that many of basic concepts of nuclear cluster physics since the days of K. Wildermuth are now examined and revived in new lights. An important example is the duality character of the ground-state wave function which was well known already in 1950's and has been recently revived in order to explain observed large magnitudes of E0 transitions between cluster states and the ground state in many nuclei. The other topics we discuss are (1) spatial localization of clusters v.s. THSR wave function, (2) coexistence of cluster states with mean-field-type states, and (3) spatial localization of clusters and ab initio calculations of cluster states

  11. Partially supervised speaker clustering.

    Science.gov (United States)

    Tang, Hao; Chu, Stephen Mingyu; Hasegawa-Johnson, Mark; Huang, Thomas S

    2012-05-01

    model-based distance metrics, 2) our advocated use of the cosine distance metric yields consistent increases in the speaker clustering performance as compared to the commonly used euclidean distance metric, 3) our partially supervised speaker clustering concept and strategies significantly improve the speaker clustering performance over the baselines, and 4) our proposed LSDA algorithm further leads to state-of-the-art speaker clustering performance.

  12. Molecular characterization and combined genotype association study of bovine cluster of differentiation 14 gene with clinical mastitis in crossbred dairy cattle.

    Science.gov (United States)

    Selvan, A Sakthivel; Gupta, I D; Verma, A; Chaudhari, M V; Magotra, A

    2016-07-01

    The present study was undertaken with the objectives to characterize and to analyze combined genotypes of cluster of differentiation 14 (CD14) gene to explore its association with clinical mastitis in Karan Fries (KF) cows maintained in the National Dairy Research Institute herd, Karnal. Genomic DNA was extracted using blood of randomly selected 94 KF lactating cattle by phenol-chloroform method. After checking its quality and quantity, polymerase chain reaction (PCR) was carried out using six sets of reported gene-specific primers to amplify complete KF CD14 gene. The forward and reverse sequences for each PCR fragments were assembled to form complete sequence for the respective region of KF CD14 gene. The multiple sequence alignments of the edited sequence with the corresponding reference with reported Bos taurus sequence (EU148610.1) were performed with ClustalW software to identify single nucleotide polymorphisms (SNPs). Basic Local Alignment Search Tool analysis was performed to compare the sequence identity of KF CD14 gene with other species. The restriction fragment length polymorphism (RFLP) analysis was carried out in all KF cows using Helicobacter pylori 188I (Hpy188I) (contig 2) and Haemophilus influenzae I (HinfI) (contig 4) restriction enzyme (RE). Cows were assigned genotypes obtained by PCR-RFLP analysis, and association study was done using Chi-square (χ (2)) test. The genotypes of both contigs (loci) number 2 and 4 were combined with respect to each animal to construct combined genotype patterns. Two types of sequences of KF were obtained: One with 2630 bp having one insertion at 616 nucleotide (nt) position and one deletion at 1117 nt position, and the another sequence was of 2629 bp having only one deletion at 615 nt position. ClustalW, multiple alignments of KF CD14 gene sequence with B. taurus cattle sequence (EU148610.1), revealed 24 nt changes (SNPs). Cows were also screened using PCR-RFLP with Hpy188I (contig 2) and HinfI (contig 4) RE

  13. Remote sensing-based characterization of rainfall during atmospheric rivers over the central United States

    Science.gov (United States)

    Nayak, Munir A.; Villarini, Gabriele

    2018-01-01

    Atmospheric rivers (ARs) play a central role in the hydrology and hydroclimatology of the central United States. More than 25% of the annual rainfall is associated with ARs over much of this region, with many large flood events tied to their occurrence. Despite the relevance of these storms for flood hydrology and water budget, the characteristics of rainfall associated with ARs over the central United has not been investigated thus far. This study fills this major scientific gap by describing the rainfall during ARs over the central United States using five remote sensing-based precipitation products over a 12-year study period. The products we consider are: Stage IV, Tropical Rainfall Measuring Mission - Multi-satellite Precipitation Analysis (TMPA, both real-time and research version); Precipitation Estimation from Remotely Sensed Information using Artificial Neural Networks (PERSIANN); the CPC MORPHing Technique (CMORPH). As part of the study, we evaluate these products against a rain gauge-based dataset using both graphical- and metrics-based diagnostics. Based on our analyses, Stage IV is found to better reproduce the reference data. Hence, we use it for the characterization of rainfall in ARs. Most of the AR-rainfall is located in a narrow region within ∼150 km on both sides of the AR major axis. In this region, rainfall has a pronounced positive relationship with the magnitude of the water vapor transport. Moreover, we have also identified a consistent increase in rainfall intensity with duration (or persistence) of AR conditions. However, there is not a strong indication of diurnal variability in AR rainfall. These results can be directly used in developing flood protection strategies during ARs. Further, weather prediction agencies can benefit from the results of this study to achieve higher skill of resolving precipitation processes in their models.

  14. Formation, spectroscopic characterization, and solution stability of an [Fe4S4]2+ cluster derived from β-cyclodextrin dithiolate.

    Science.gov (United States)

    Lo, Wayne; Zhang, Ping; Ling, Chang-Chun; Huang, Shaw; Holm, R H

    2012-09-17

    The formation and solution properties, including stability in mixed aqueous-Me(2)SO media, have been investigated for an [Fe(4)S(4)](2+) cluster derived from β-cyclodextrin (CD) dithiolate. Clusters of the type [Fe(4)S(4)(SAr)(4)](2-) (Ar = Ph, C(6)H(4)-3-F) are generated in Me(2)SO by redox reactions of [Fe(4)S(4)(SEt)(4)](2-) with 2 equiv of ArSSAr. An analogous reaction with the intramolecular disulfide of 6(A),6(D)-(3-NHCOC(6)H(4)-1-SH)(2)-6(A),6(D)-dideoxy-β-cyclodextrin (14), whose synthesis is described, affords a completely substituted cluster formulated as [Fe(4)S(4){β-CD-(1,3-NHCOC(6)H(4)S)(2)}(2)](2-) (15). Ligand binding is indicated by a circular dichroism spectrum and also by UV-visible and isotropically shifted (1)H NMR spectra and redox behavior convincingly similar to [Fe(4)S(4)(SPh)(4)](2-). One formulation of 15 is a single cluster to which two dithiolates are bound, each in bidentate coordination. With there being no proven precedent for this binding mode, we show that the cluster [Fe(4)S(4)(S(2)-m-xyl)(2)](2-) is a single cubane whose m-xylyldithiolate ligands are bound in a bidentate arrangement. This same structure type was proposed for a cluster formulated as [Fe(4)S(4){β-CD-(1,3-SC(6)H(4)S)(2)}(2)](2-) (16; Kuroda et al. J. Am. Chem. Soc.1988, 110, 4049-4050) and reported to be water-stable. Clusters 15 and 16 are derived from similar ligands differing only in the spacer group between the thiolate binding site and the CD platform. In our search for clusters stable in aqueous or organic-aqueous mixed solvents that are potential candidates for the reconstitution of scaffold proteins implicated in cluster biogenesis, 15 is the most stable cluster that we have thus far encountered under anaerobic conditions in the absence of added ligand.

  15. Localized versus shell-model-like clusters

    Energy Technology Data Exchange (ETDEWEB)

    Cseh, J.; Algora, A. [Institute of Nuclear Research of the Hungarian Academy of Sciences, Debrecen, Pf. 51, 4001 Hungary (Hungary); Darai, J. [Institute of Experimental Physics, University of Debrecen, Debrecen, Bem ter 18/A, 4026 Hungary (Hungary); Yepez M, H. [Universidad Autonoma de la Ciudad de Mexico, Prolongacion San Isidro 151, Col. San Lorenzo Tezonco, 09790 Mexico D. F. (Mexico); Hess, P. O. [Instituto de Ciencias Nucleares, UNAM, Apartado Postal 70-543, 04510 Mexico D. F. (Mexico)]. e-mail: cseh@atomki.hu

    2008-12-15

    In light of the relation of the shell model and the cluster model, the concepts of localized and shell-model-like clusters are discussed. They are interpreted as different phases of clusterization, which may be characterized by quasi-dynamical symmetries, and are connected by a phase-transition. (Author)

  16. Preference of Cluster Isomers as a Result of Quantum Delocalization: Potential Energy Surfaces and Intermolecular Vibrational States of Ne...HBr, Ne...HI, and HI(Ar)n (n=1-6)

    Czech Academy of Sciences Publication Activity Database

    Slavíček, Petr; Roeselová, Martina; Jungwirth, Pavel; Schmidt, B.

    2001-01-01

    Roč. 114, č. 4 (2001), s. 1539-1548 ISSN 0021-9606 R&D Projects: GA MŠk LN00A032 Grant - others:Volkswagen Stiftung(DE) I/75908 Institutional research plan: CEZ:AV0Z4040901 Keywords : cluster * isomer * vibrational states Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.147, year: 2001

  17. Central and Eastern United States (CEUS) Seismic Source Characterization (SSC) for Nuclear Facilities Project

    Energy Technology Data Exchange (ETDEWEB)

    Kevin J. Coppersmith; Lawrence A. Salomone; Chris W. Fuller; Laura L. Glaser; Kathryn L. Hanson; Ross D. Hartleb; William R. Lettis; Scott C. Lindvall; Stephen M. McDuffie; Robin K. McGuire; Gerry L. Stirewalt; Gabriel R. Toro; Robert R. Youngs; David L. Slayter; Serkan B. Bozkurt; Randolph J. Cumbest; Valentina Montaldo Falero; Roseanne C. Perman' Allison M. Shumway; Frank H. Syms; Martitia (Tish) P. Tuttle

    2012-01-31

    This report describes a new seismic source characterization (SSC) model for the Central and Eastern United States (CEUS). It will replace the Seismic Hazard Methodology for the Central and Eastern United States, EPRI Report NP-4726 (July 1986) and the Seismic Hazard Characterization of 69 Nuclear Plant Sites East of the Rocky Mountains, Lawrence Livermore National Laboratory Model, (Bernreuter et al., 1989). The objective of the CEUS SSC Project is to develop a new seismic source model for the CEUS using a Senior Seismic Hazard Analysis Committee (SSHAC) Level 3 assessment process. The goal of the SSHAC process is to represent the center, body, and range of technically defensible interpretations of the available data, models, and methods. Input to a probabilistic seismic hazard analysis (PSHA) consists of both seismic source characterization and ground motion characterization. These two components are used to calculate probabilistic hazard results (or seismic hazard curves) at a particular site. This report provides a new seismic source model. Results and Findings The product of this report is a regional CEUS SSC model. This model includes consideration of an updated database, full assessment and incorporation of uncertainties, and the range of diverse technical interpretations from the larger technical community. The SSC model will be widely applicable to the entire CEUS, so this project uses a ground motion model that includes generic variations to allow for a range of representative site conditions (deep soil, shallow soil, hard rock). Hazard and sensitivity calculations were conducted at seven test sites representative of different CEUS hazard environments. Challenges and Objectives The regional CEUS SSC model will be of value to readers who are involved in PSHA work, and who wish to use an updated SSC model. This model is based on a comprehensive and traceable process, in accordance with SSHAC guidelines in NUREG/CR-6372, Recommendations for Probabilistic

  18. Central and Eastern United States (CEUS) Seismic Source Characterization (SSC) for Nuclear Facilities

    International Nuclear Information System (INIS)

    Coppersmith, Kevin J.; Salomone, Lawrence A.; Fuller, Chris W.; Glaser, Laura L.; Hanson, Kathryn L.; Hartleb, Ross D.; Lettis, William R.; Lindvall, Scott C.; McDuffie, Stephen M.; McGuire, Robin K.; Stirewalt, Gerry L.; Toro, Gabriel R.; Youngs, Robert R.; Slayter, David L.; Bozkurt, Serkan B.; Cumbest, Randolph J.; Falero, Valentina Montaldo; Perman, Roseanne C.; Shumway, Allison M.; Syms, Frank H.; Tuttle, Martitia P.

    2012-01-01

    This report describes a new seismic source characterization (SSC) model for the Central and Eastern United States (CEUS). It will replace the Seismic Hazard Methodology for the Central and Eastern United States, EPRI Report NP-4726 (July 1986) and the Seismic Hazard Characterization of 69 Nuclear Plant Sites East of the Rocky Mountains, Lawrence Livermore National Laboratory Model, (Bernreuter et al., 1989). The objective of the CEUS SSC Project is to develop a new seismic source model for the CEUS using a Senior Seismic Hazard Analysis Committee (SSHAC) Level 3 assessment process. The goal of the SSHAC process is to represent the center, body, and range of technically defensible interpretations of the available data, models, and methods. Input to a probabilistic seismic hazard analysis (PSHA) consists of both seismic source characterization and ground motion characterization. These two components are used to calculate probabilistic hazard results (or seismic hazard curves) at a particular site. This report provides a new seismic source model. Results and Findings The product of this report is a regional CEUS SSC model. This model includes consideration of an updated database, full assessment and incorporation of uncertainties, and the range of diverse technical interpretations from the larger technical community. The SSC model will be widely applicable to the entire CEUS, so this project uses a ground motion model that includes generic variations to allow for a range of representative site conditions (deep soil, shallow soil, hard rock). Hazard and sensitivity calculations were conducted at seven test sites representative of different CEUS hazard environments. Challenges and Objectives The regional CEUS SSC model will be of value to readers who are involved in PSHA work, and who wish to use an updated SSC model. This model is based on a comprehensive and traceable process, in accordance with SSHAC guidelines in NUREG/CR-6372, Recommendations for Probabilistic

  19. A terrain-based site characterization map of California with implications for the contiguous United States

    Science.gov (United States)

    Yong, Alan K.; Hough, Susan E.; Iwahashi, Junko; Braverman, Amy

    2012-01-01

    We present an approach based on geomorphometry to predict material properties and characterize site conditions using the VS30 parameter (time‐averaged shear‐wave velocity to a depth of 30 m). Our framework consists of an automated terrain classification scheme based on taxonomic criteria (slope gradient, local convexity, and surface texture) that systematically identifies 16 terrain types from 1‐km spatial resolution (30 arcsec) Shuttle Radar Topography Mission digital elevation models (SRTM DEMs). Using 853 VS30 values from California, we apply a simulation‐based statistical method to determine the mean VS30 for each terrain type in California. We then compare the VS30 values with models based on individual proxies, such as mapped surface geology and topographic slope, and show that our systematic terrain‐based approach consistently performs better than semiempirical estimates based on individual proxies. To further evaluate our model, we apply our California‐based estimates to terrains of the contiguous United States. Comparisons of our estimates with 325 VS30 measurements outside of California, as well as estimates based on the topographic slope model, indicate our method to be statistically robust and more accurate. Our approach thus provides an objective and robust method for extending estimates of VS30 for regions where in situ measurements are sparse or not readily available.

  20. Synthesis and characterization of ruthenium fluorides and oxide fluorides with high oxidation states

    International Nuclear Information System (INIS)

    Meublat, L.

    1989-01-01

    The synthesis of ruthenium fluorides and oxide fluorides with high oxidation states was attempted from dioxide RuO 2 and tetroxide RuO 4 . Three fluorinating agents were used: fluorine, chlorine trifluoride and krypton difluoride. The reactions were achieved in anhydrous hydrogen fluoride at room temperature. Thus, the reaction of RuO 4 with CIF 3 enabled us to prepare chloryl hexafluororuthenate (V), ClO 2 + RuF 6 - , a new compound well idendified by vibrational spectroscopy (infra-red and Raman), the structure of which was determined. The reaction of KrF 2 with RuO 4 gave the oxide tetrafluoride RuOF 4 , the previously published syntheses and properties of which were not in agreement with each other. This compound was definitely characterized here by chemical analysis, infra-red spectroscopy and X-ray powder diffraction. The product of thermal decomposition (70 0 C) of RuOF 4 is presumably RuF 4 since only oxygen is liberated during this decomposition. At last, the reaction of KrF 2 with RuO 2 probably leads to the formation of the new oxide fluoride RuO 2 F 4 . Indeed, no oxygen is given off during this reaction, the chemical analysis of the red-orange coloured solid residue is almost in agreement with the one proposed and its infra-red absorption spectrum indicates the presence of ruthenium-oxygen and ruthenium-terminal and bridging fluorine bonds [fr

  1. Synthesis and characterization of ruthenium fluorides and oxide fluorides with high oxidation states

    International Nuclear Information System (INIS)

    Meublat, L.

    1989-10-01

    The synthesis of ruthenium fluorides and oxide fluorides with high oxidation states was attempted from dioxide RuO 2 and tetroxide RuO 4 . Three fluorinating agents were used: fluorine, chlorine trifluoride and krypton difluoride. The reactions were achieved in anhydrous hydrogen fluoride at room temperature. Thus, the reaction of RuO 4 with CIF 3 enabled us to prepare chloryl hexafluororuthenate (V), CIO 2 + RuF 6 - , a new compound well identified by vibrational spectroscopy (infra-red and Raman), the structure of which was determined. The reaction of KrF 2 with RuO 4 gave the oxide tetrafluoride RuOF 4 , the previously published syntheses and properties of which were not in agreement with each other. This compound was definitely characterized here by chemical analysis, infra-red spectroscopy and X-ray powder diffraction. The product of thermal decomposition (70 0 C) of RuOF 4 is presumably RuF 4 since only oxygen is liberated during this decomposition. At last, the reaction of KrF 2 with RuO 2 probably leads to the formation of the new oxide fluoride RuO 2 F 4 . Indeed, no oxygen is given off during this reaction, the chemical analysis of the red-orange coloured solid residue is almost in agreement with the one proposed and its infra-red absorption spectrum indicates the presence of ruthenium-oxygen and ruthenium-terminal and bridging fluorine bonds [fr

  2. Molecular characterization of the Trichomonas gallinae morphologic complex in the United States.

    Science.gov (United States)

    Gerhold, Richard W; Yabsley, Michael J; Smith, Autumn J; Ostergaard, Elissa; Mannan, William; Cann, Jeff D; Fischer, John R

    2008-12-01

    Forty-two Trichomonas gallinae isolates were molecularly characterized to determine whether isolates differed in genetic sequence of multiple gene targets depending on host species or geographical location. The 5.8S ribosomal RNA (rRNA) and flanking internal transcribed spacer (ITS) gene regions were amplified by polymerase chain reaction, and the sequences were analyzed phylogenetically. The results of the sequence analysis strongly suggest at least 2 species may exist within the T. gallinae morphologic complex. Based on ITS sequences, one group demonstrated high nucleotide identity to the 3 T. gallinae sequences available in GenBank, whereas the second group was more closely related to T. vaginalis (98%) than to T. gallinae (92%). Two common ground-dove (Columbina passerina) isolates shared a 95% identity with T. vaginalis and a 92% identity with T. gallinae and T. tenax. Sequence analysis of both the 18S rRNA and alpha-tubulin genes from a subset of the isolates supports the 5.8S-ITS sequence results. All of the T. vaginalis-like isolates originated from Arizona, California, or Texas, whereas T. gallinae isolates were found in all sampled states. Both T. vaginalis-like and T. gallinae isolates were involved in trichomoniasis outbreaks in California and Arizona.

  3. Handling, characterization, and monitoring of condensates produced by atomization from the molten state

    International Nuclear Information System (INIS)

    Hodkin, D.J.; Pollock, J.S.; Sutcliffe, P.W.

    1976-01-01

    In any process of atomization from the molten state it is inevitable that vapour species are produced. It has been found that these vapours condense to extremely small particles of the order of 0.04 μm dia. and larger. When such particles are produced under high-purity inert atmospheres, they are extremely pure, remain in suspension, and are therefore intensely pyrophoric when introduced to oxidizing atmospheres. In addition such particles are often toxic. The dusts resulting from the processing of ferrous, nickel, and titanium alloys have been characterized by electron microscopy in order to assess the problem of safe removal. The procedures developed to minimize the handling risks of such condensates are described in the context of operation of an arc-melting centrifugal atomizer. Sensitive monitoring techniques are available for specialized materials such as beryllium and uranium as well as the more common metals, and these can be utilized to assess the levels of both airborne and surface contamination that are likely to arise in the laboratory or plant environment from powder atomization. (author)

  4. Longitudinal characterization of depression and mood states beginning in primary HIV infection.

    Science.gov (United States)

    Gold, Jessica A; Grill, Marie; Peterson, Julia; Pilcher, Christopher; Lee, Evelyn; Hecht, Frederick M; Fuchs, Dietmar; Yiannoutsos, Constantin T; Price, Richard W; Robertson, Kevin; Spudich, Serena

    2014-06-01

    Though depression is known to frequently afflict those with chronic HIV, mood during the early course of HIV is not well characterized. In a prospective study we assessed mood during primary HIV infection [primary HIV infection (PHI), Profile of Mood States (POMS) subscales were longitudinally administered prior to and after ART in PHI subjects. This evaluation of mood was done concurrently with blood, cerebrospinal fluid (CSF) and neuropsychological [total z and global deficit score (GDS)] evaluation at each visit. Analysis employed Spearman's rho, logistic regression, and linear mixed models. 47.7 % of the 65 men recruited at a median 3.5 months HIV duration met BDI criteria for clinical depression at baseline, classified as 'mild' (n = 11), 'moderate' (n = 11), or 'severe' (n = 9). Drug, alcohol, and depression history did not associate with BDI score. Proportional somatic-performance scores were worse than cognitive-affective scores (p = .0045). Vigor subscore of POMS was reduced compared to norms and correlated with total z (r = 0.33, p = 0.013) and GDS (r = -0.32, p = 0.016). BDI and POMS correlated with one another (r = 0.85, p mood. Mood indices did not improve over time in the presence of ART.

  5. Screening and characterizing oleaginous microalgal species from the southeastern United States. Final subcontract report

    Energy Technology Data Exchange (ETDEWEB)

    Tadros, M.G.

    1985-03-01

    The purpose of this study was to select and characterize promising algal species which tolerate high light intensities, temperature variations and accumulate lipids. Samples have been collected from freshwater and saltwater locations in the State of Alabama and intertidal regions of the Gulf of Mexico. Samples were screened through a multi-step process. Selected species: Cyclotella, Nitzschia, Chlorella, Scenedesmus and Ankistrodesmus, have been examined for growth requirements. Approximate cellular composition of these species was determined. This report describes accomplishments from February 1984 to January 1985. During this period, collection trips were made to Dauphin Island near the Alabama coast in the summer of 1984. Over sixty strains were isolated, and of these six were ranked as good growers. Two diatoms were isolated that are of particular interest because of their ability to accumulate high lipids. Cyclotella tolerates high temperatures (30/sup 0/-35/sup 0/C), grows at moderate salinities (15-25 parts per thousand), and with nitrogen stress accumulates 42% of its dry weight as lipid. Hantzschia is a large diatom that also grows well at elevated temperatures and full strength seawater. Hantzschia can accumulate as much as 66% of its dry weight as lipid. 29 refs., 12 figs., 2 tabs.

  6. Characterization and Neutron Shielding Behavior of Dehydrated Magnesium Borate Minerals Synthesized via Solid-State Method

    Directory of Open Access Journals (Sweden)

    Azmi Seyhun Kipcak

    2013-01-01

    Full Text Available Magnesium borates are one of the major groups of boron minerals that have good neutron shielding performance. In this study, dehydrated magnesium borates were synthesized by solid-state method using magnesium oxide (MgO and boron oxide (B2O3, in order to test their ability of neutron shielding. After synthesizing the dehydrated magnesium borates, characterizations were done by X-ray Diffraction (XRD, fourier transform infrared (FT-IR, Raman spectroscopy, and scanning electron microscopy (SEM. Also boron oxide (B2O3 contents and reaction yields (% were calculated. XRD results showed that seven different types of dehydrated magnesium borates were synthesized. 1000°C reaction temperature, 240 minutes of reaction time, and 3 : 2, 1 : 1 mole ratios of products were selected and tested for neutron transmission. Also reaction yields were calculated between 84 and 88% for the 3 : 2 mole ratio products. The neutron transmission experiments revealed that the 3 : 2 mole ratio of MgO to B2O3 neutron transmission results (0.618–0.655 was better than the ratio of 1 : 1 (0.772–0.843.

  7. Thermal characterization of polymer matrix composites containing microencapsulated paraffin in solid or liquid state

    International Nuclear Information System (INIS)

    Sari-Bey, Sana; Fois, Magali; Krupa, Igor; Ibos, Laurent; Benyoucef, Boumédiène

    2014-01-01

    Highlights: • Thermal characterization of PCL/Micronal composites. • Melting enthalpy and heat capacity measured by DSC. • Interest: have measured thermal properties at different temperatures. • Thermophysical properties measurement temperatures chosen outside phase changes. • Characteristics useful to model composites heat transfer for LHTES applications. - Abstract: This work focuses on the study of heat transfer mechanisms in composites materials which may be used for Latent Heat Thermal Energy Storage applications. These composites contain phase change material (PCM) which can absorb and release energy during thermal cycling. PCM’s used here are paraffins microencapsulated in poly(methylmethacrylate); microencapsulation avoids the flow of paraffin when it is in the liquid state. Samples with different paraffin weight fractions and particles shape and distribution were studied in this work. Scanning Electron Microscopy and Differential Scanning Calorimetry were used to determine morphology and perform measurements of phase changes temperatures, enthalpies and heat capacity respectively. Further, a periodic method (DICO) allowed measuring thermal conductivity (λ) and diffusivity (a) of the composites at temperatures below and above of the paraffin phase change from crystalline solid to isotropic liquid

  8. Characterization of the Inlet Port Flow under Steady-State Conditions Using PIV and POD

    Directory of Open Access Journals (Sweden)

    Mohammed El-Adawy

    2017-11-01

    Full Text Available The current study demonstrates an experimental investigation of the tumble flow structures using Particle Image Velocimetry (PIV under steady-state conditions considering the central vertical tumble plane. The experiments were carried out on a four-valve, pent-roof Gasoline Direct Injection (GDI engine head at different valve lifts and with a pressure difference of 150 mmH2O across the intake valves. Furthermore, the Proper Orthogonal Decomposition (POD analytical technique was applied to PIV-measured velocity vector maps to characterize the flow structures at various valve lifts, and hence the different rig tumble values. The results show that at low valve lifts (1 to 5 mm, 48.9 to 46.6% of the flow energy is concentrated in the large (mode 1 eddies with only 8.4 to 11.46% in mode 2 and 7.2 to 7.5 in mode 3. At high valve lifts, it can be clearly seen that some of the energy in the large eddies of mode 1 is transferred to the smaller flow structures of modes 2 and 3. This can be clearly seen at valve lift 10 mm where the values of the flow energy were 40.6%, 17.3%, and 8.0% for modes 1, 2, and 3, respectively.

  9. Characterization of edible marijuana product exposures reported to United States poison centers.

    Science.gov (United States)

    Cao, Dazhe; Srisuma, Sahaphume; Bronstein, Alvin C; Hoyte, Christopher O

    2016-11-01

    Edible marijuana products are sold as brownies, cookies, and candies, which may be indistinguishable from counterparts without marijuana and are palatable to children and adults. The consumption of an entire product containing multiple dose-units may result in overdose. To characterize edible marijuana exposures reported to US poison centers with subgroup analysis by age. We analyzed single substance, human exposure calls coded to marijuana brownies, candies, cookies, beverages, or other foods reported to the National Poison Data System from January 2013 to December 2015. Calls were analyzed by state, age, gender, exposure route, clinical effect, therapies, and level of healthcare facility utilization. Four-hundred and thirty calls were reported: Colorado (N = 166, 1.05/100,000 population/year) and Washington (96, 0.46) yielded the highest number of exposures. Three hundred and eighty-one (91%) calls occurred in states with decriminalized medical/recreational marijuana. The number of calls increased every year of the study. The most common age groups were: ≤5 years (N = 109, 0.15/100,000 population/year) and 13-19 (78, 0.09). The most frequent clinical effects were drowsiness/lethargy (N = 118, percentage = 43%), tachycardia (84, 31%), agitated/irritable (37, 14%), and confusion (37, 14%). Children ≤5 years have more drowsiness/lethargy, ataxia, and red eye/conjunctivitis. No deaths were reported. The most common therapies administered were intravenous fluids (85, 20%), dilute/irrigate/wash (48, 11 %), and benzodiazepines (47, 11%). Three patients (ages 4, 10, and 57 years) received intubation. 97 (23%), 217 (50%), and 12 (3%) calls were managed at home, treated/released, admitted to a critical care unit, respectively. Although most clinical effects are minor, ventilatory support may be necessary for children and adults. We speculate the increasing exposures may be related to a combination of delayed absorption kinetics of Δ9

  10. Characterization of oil shale, isolated kerogen, and post-pyrolysis residues using advanced 13 solid-state nuclear magnetic resonance spectroscopy

    Science.gov (United States)

    Cao, Xiaoyan; Birdwell, Justin E.; Chappell, Mark A.; Li, Yuan; Pignatello, Joseph J.; Mao, Jingdong

    2013-01-01

    Characterization of oil shale kerogen and organic residues remaining in postpyrolysis spent shale is critical to the understanding of the oil generation process and approaches to dealing with issues related to spent shale. The chemical structure of organic matter in raw oil shale and spent shale samples was examined in this study using advanced solid-state 13C nuclear magnetic resonance (NMR) spectroscopy. Oil shale was collected from Mahogany zone outcrops in the Piceance Basin. Five samples were analyzed: (1) raw oil shale, (2) isolated kerogen, (3) oil shale extracted with chloroform, (4) oil shale retorted in an open system at 500°C to mimic surface retorting, and (5) oil shale retorted in a closed system at 360°C to simulate in-situ retorting. The NMR methods applied included quantitative direct polarization with magic-angle spinning at 13 kHz, cross polarization with total sideband suppression, dipolar dephasing, CHn selection, 13C chemical shift anisotropy filtering, and 1H-13C long-range recoupled dipolar dephasing. The NMR results showed that, relative to the raw oil shale, (1) bitumen extraction and kerogen isolation by demineralization removed some oxygen-containing and alkyl moieties; (2) unpyrolyzed samples had low aromatic condensation; (3) oil shale pyrolysis removed aliphatic moieties, leaving behind residues enriched in aromatic carbon; and (4) oil shale retorted in an open system at 500°C contained larger aromatic clusters and more protonated aromatic moieties than oil shale retorted in a closed system at 360°C, which contained more total aromatic carbon with a wide range of cluster sizes.

  11. Exploring cosmic origins with CORE: Cluster science

    Science.gov (United States)

    Melin, J.-B.; Bonaldi, A.; Remazeilles, M.; Hagstotz, S.; Diego, J. M.; Hernández-Monteagudo, C.; Génova-Santos, R. T.; Luzzi, G.; Martins, C. J. A. P.; Grandis, S.; Mohr, J. J.; Bartlett, J. G.; Delabrouille, J.; Ferraro, S.; Tramonte, D.; Rubiño-Martín, J. A.; Macìas-Pérez, J. F.; Achúcarro, A.; Ade, P.; Allison, R.; Ashdown, M.; Ballardini, M.; Banday, A. J.; Banerji, R.; Bartolo, N.; Basak, S.; Basu, K.; Battye, R. A.; Baumann, D.; Bersanelli, M.; Bonato, M.; Borrill, J.; Bouchet, F.; Boulanger, F.; Brinckmann, T.; Bucher, M.; Burigana, C.; Buzzelli, A.; Cai, Z.-Y.; Calvo, M.; Carvalho, C. S.; Castellano, M. G.; Challinor, A.; Chluba, J.; Clesse, S.; Colafrancesco, S.; Colantoni, I.; Coppolecchia, A.; Crook, M.; D'Alessandro, G.; de Bernardis, P.; de Gasperis, G.; De Petris, M.; De Zotti, G.; Di Valentino, E.; Errard, J.; Feeney, S. M.; Fernández-Cobos, R.; Finelli, F.; Forastieri, F.; Galli, S.; Gerbino, M.; González-Nuevo, J.; Greenslade, J.; Hanany, S.; Handley, W.; Hervias-Caimapo, C.; Hills, M.; Hivon, E.; Kiiveri, K.; Kisner, T.; Kitching, T.; Kunz, M.; Kurki-Suonio, H.; Lamagna, L.; Lasenby, A.; Lattanzi, M.; Le Brun, A. M. C.; Lesgourgues, J.; Lewis, A.; Liguori, M.; Lindholm, V.; Lopez-Caniego, M.; Maffei, B.; Martinez-Gonzalez, E.; Masi, S.; Mazzotta, P.; McCarthy, D.; Melchiorri, A.; Molinari, D.; Monfardini, A.; Natoli, P.; Negrello, M.; Notari, A.; Paiella, A.; Paoletti, D.; Patanchon, G.; Piat, M.; Pisano, G.; Polastri, L.; Polenta, G.; Pollo, A.; Poulin, V.; Quartin, M.; Roman, M.; Salvati, L.; Tartari, A.; Tomasi, M.; Trappe, N.; Triqueneaux, S.; Trombetti, T.; Tucker, C.; Väliviita, J.; van de Weygaert, R.; Van Tent, B.; Vennin, V.; Vielva, P.; Vittorio, N.; Weller, J.; Young, K.; Zannoni, M.

    2018-04-01

    We examine the cosmological constraints that can be achieved with a galaxy cluster survey with the future CORE space mission. Using realistic simulations of the millimeter sky, produced with the latest version of the Planck Sky Model, we characterize the CORE cluster catalogues as a function of the main mission performance parameters. We pay particular attention to telescope size, key to improved angular resolution, and discuss the comparison and the complementarity of CORE with ambitious future ground-based CMB experiments that could be deployed in the next decade. A possible CORE mission concept with a 150 cm diameter primary mirror can detect of the order of 50,000 clusters through the thermal Sunyaev-Zeldovich effect (SZE). The total yield increases (decreases) by 25% when increasing (decreasing) the mirror diameter by 30 cm. The 150 cm telescope configuration will detect the most massive clusters (>1014 Msolar) at redshift z>1.5 over the whole sky, although the exact number above this redshift is tied to the uncertain evolution of the cluster SZE flux-mass relation; assuming self-similar evolution, CORE will detect 0~ 50 clusters at redshift z>1.5. This changes to 800 (200) when increasing (decreasing) the mirror size by 30 cm. CORE will be able to measure individual cluster halo masses through lensing of the cosmic microwave background anisotropies with a 1-σ sensitivity of 4×1014 Msolar, for a 120 cm aperture telescope, and 1014 Msolar for a 180 cm one. From the ground, we estimate that, for example, a survey with about 150,000 detectors at the focus of 350 cm telescopes observing 65% of the sky would be shallower than CORE and detect about 11,000 clusters, while a survey with the same number of detectors observing 25% of sky with a 10 m telescope is expected to be deeper and to detect about 70,000 clusters. When combined with the latter, CORE would reach a limiting mass of M500 ~ 2‑3 × 1013 Msolar and detect 220,000 clusters (5 sigma detection limit

  12. Similarity, Clustering, and Scaling Analyses for the Foreign Exchange Market : Comprehensive Analysis on States of Market Participants with High-Frequency Financial Data(Financial and Consumer Markets,Econophysics-Physical Approach to Social and Economic Phenomena-)

    OpenAIRE

    Aki-Hiro, SATO; Hiroshi, SAKAI; Maiko, NISHIMURA; Janusz A., HOLYST; Department of Applied Mathematics and Physics, Graduate School of Informatics, Kyoto University; Department of Applied Mathematics and Physics, Graduate School of Informatics, Kyoto University; Department of Applied Mathematics and Physics, Graduate School of Informatics, Kyoto University; Faculty of Physics and Center of Excellence for Complex Systems Research, Warsaw University of Technology

    2009-01-01

    This article proposes mathematical methods to quantify states of market participants in the foreign exchange market (FX market) and conduct comprehensive analysis on behavior of market participants by means of high-frequency financial data. Based on econophysics tools and perspectives we study similarity measures for both rate movements and quotation activities among various currency pairs. We perform also clustering analysis on market states for observation days, and find scaling relationshi...

  13. Cluster Statistics of BTW Automata

    International Nuclear Information System (INIS)

    Ajanta Bhowal Acharyya

    2011-01-01

    The cluster statistics of BTW automata in the SOC states are obtained by extensive computer simulation. Various moments of the clusters are calculated and few results are compared with earlier available numerical estimates and exact results. Reasonably good agreement is observed. An extended statistical analysis has been made. (author)

  14. Bussines Clusters

    Directory of Open Access Journals (Sweden)

    Sarmiza Pencea

    2010-10-01

    Full Text Available Clusters are complex economic structures in which similar companies, their up-stream and down-stream business partners, universities, research institutes, educational units, various service providers, diverse private and public institutions concentrate geografically, striving to get economies of agglomeration and scale, to capitalize on the resulting spill over effects, to cut costs, to better harness resources, to exchange information and experience, to improve quality, innovation, skills and productivity. By somehow unexpectedly combining competition and cooperation, they form a new, sophisticated stage in the evolution of production structures in quest of higher efficiency. This paper forays into the world of clusters and clusterization, which seem to increasingly capture the interest of businesses, scholars and policy makers. It looks at what clusters are, how they arise, what are their specific features, what benefits and challenges they can generate for companies and for the regions in which they locate and if and how they should be fostered by industrial policy interventions. The conclusion is that clusters can be very important development triggers and therefore they should be encouraged and nurtured by adequate policy measures. They should not only be used as a regular policy tool, but be placed at the very center of the development strategies of emerging economies.

  15. Characterization of degradation products of amorphous and polymorphic forms of clopidogrel bisulphate under solid state stress conditions

    DEFF Research Database (Denmark)

    Raijada, Dhara K; Prasad, Bhagwat; Paudel, Amrit

    2010-01-01

    The present study deals with the stress degradation studies on amorphous and polymorphic forms of clopidogrel bisulphate. The objective was to characterize the degradation products and postulate mechanism of decomposition of the drug under solid state stress conditions. For that, amorphous form, ...

  16. Identification and characterization of a cluster of transcription start sites located in the E6 ORF of human papillomavirus type 16

    DEFF Research Database (Denmark)

    Rosenstierne, Maiken W; Vinther, Jeppe; Hansen, Christina N

    2003-01-01

    Human papillomavirus type 16 (HPV-16) is the prototype strain among the malignant types of HPV in the western world. The main promoter, P97, located in front of the E6 ORF, has been shown to control expression of the oncogenes E6 and E7. These oncogenes are expressed continuously in HPV-16......-transformed cells. In contrast to malignant HPV types, non-malignant HPV types have separate promoters driving the expression of E6 and E7. Experiments have shown that the translation of E7 is more efficient from monocistronic than bicistronic transcripts encoding both E6 and E7. Here, identification...... of a cluster of transcription start sites located in the E6 ORF of HPV-16 is presented. Transcripts from this region contain the E7 ORF as the first reading frame. The cluster consists of multiple transcription start sites located around nt 441. Additional transcription start sites were identified in a cluster...

  17. A MAD-Bayes Algorithm for State-Space Inference and Clustering with Application to Querying Large Collections of ChIP-Seq Data Sets.

    Science.gov (United States)

    Zuo, Chandler; Chen, Kailei; Keleş, Sündüz

    2017-06-01

    Current analytic approaches for querying large collections of chromatin immunoprecipitation followed by sequencing (ChIP-seq) data from multiple cell types rely on individual analysis of each data set (i.e., peak calling) independently. This approach discards the fact that functional elements are frequently shared among related cell types and leads to overestimation of the extent of divergence between different ChIP-seq samples. Methods geared toward multisample investigations have limited applicability in settings that aim to integrate 100s to 1000s of ChIP-seq data sets for query loci (e.g., thousands of genomic loci with a specific binding site). Recently, Zuo et al. developed a hierarchical framework for state-space matrix inference and clustering, named MBASIC, to enable joint analysis of user-specified loci across multiple ChIP-seq data sets. Although this versatile framework estimates both the underlying state-space (e.g., bound vs. unbound) and also groups loci with similar patterns together, its Expectation-Maximization-based estimation structure hinders its applicability with large number of loci and samples. We address this limitation by developing MAP-based asymptotic derivations from Bayes (MAD-Bayes) framework for MBASIC. This results in a K-means-like optimization algorithm that converges rapidly and hence enables exploring multiple initialization schemes and flexibility in tuning. Comparison with MBASIC indicates that this speed comes at a relatively insignificant loss in estimation accuracy. Although MAD-Bayes MBASIC is specifically designed for the analysis of user-specified loci, it is able to capture overall patterns of histone marks from multiple ChIP-seq data sets similar to those identified by genome-wide segmentation methods such as ChromHMM and Spectacle.

  18. Large Mn25 single-molecule magnet with spin S = 51/2: magnetic and high-frequency electron paramagnetic resonance spectroscopic characterization of a giant spin state.

    Science.gov (United States)

    Murugesu, Muralee; Takahashi, Susumu; Wilson, Anthony; Abboud, Khalil A; Wernsdorfer, Wolfgang; Hill, Stephen; Christou, George

    2008-10-20

    The synthesis and structural, spectroscopic, and magnetic characterization of a Mn25 coordination cluster with a large ground-state spin of S = 51/2 are reported. Reaction of MnCl2 with pyridine-2,6-dimethanol (pdmH2) and NaN3 in MeCN/MeOH gives the mixed valence cluster [Mn25O18(OH)2(N3)12(pdm)6(pdmH)6]Cl2 (1; 6Mn(II), 18Mn(III), Mn(IV)), which has a barrel-like cage structure. Variable temperature direct current (dc) magnetic susceptibility data were collected in the 1.8-300 K temperature range in a 0.1 T field. Variable-temperature and -field magnetization (M) data were collected in the 1.8-4.0 K and 0.1-7 T ranges and fit by matrix diagonalization assuming only the ground state is occupied at these temperatures. The fit parameters were S = 51/2, D = -0.020(2) cm(-1), and g = 1.87(3), where D is the axial zero-field splitting parameter. Alternating current (ac) susceptibility measurements in the 1.8-8.0 K range and a 3.5 G ac field oscillating at frequencies in the 50-1500 Hz range revealed a frequency-dependent out-of-phase (chi(M)'') signal below 3 K, suggesting 1 to be a single-molecule magnet (SMM). This was confirmed by magnetization vs dc field sweeps, which exhibited hysteresis loops but with no clear steps characteristic of resonant quantum tunneling of magnetization (QTM). However, magnetization decay data below 1 K were collected and used to construct an Arrhenius plot, and the fit of the thermally activated region above approximately 0.5 K gave U(eff)/k = 12 K, where U(eff) is the effective relaxation barrier. The g value and the magnitude and sign of the D value were independently confirmed by detailed high-frequency electron paramagnetic resonance (HFEPR) spectroscopy on polycrystalline samples. The combined studies confirm both the high ground-state spin S = 51/2 of complex 1 and that it is a SMM that, in addition, exhibits QTM.

  19. Early-state damage detection, characterization, and evolution using high-resolution computed tomography

    Science.gov (United States)

    Grandin, Robert John

    Safely using materials in high performance applications requires adequately understanding the mechanisms which control the nucleation and evolution of damage. Most of a material's operational life is spent in a state with noncritical damage, and, for example in metals only a small portion of its life falls within the classical Paris Law regime of crack growth. Developing proper structural health and prognosis models requires understanding the behavior of damage in these early stages within the material's life, and this early-stage damage occurs on length scales at which the material may be considered "granular'' in the sense that the discrete regions which comprise the whole are large enough to require special consideration. Material performance depends upon the characteristics of the granules themselves as well as the interfaces between granules. As a result, properly studying early-stage damage in complex, granular materials requires a means to characterize changes in the granules and interfaces. The granular-scale can range from tenths of microns in ceramics, to single microns in fiber-reinforced composites, to tens of millimeters in concrete. The difficulty of direct-study is often overcome by exhaustive testing of macro-scale damage caused by gross material loads and abuse. Such testing, for example optical or electron microscopy, destructive and further, is costly when used to study the evolution of damage within a material and often limits the study to a few snapshots. New developments in high-resolution computed tomography (HRCT) provide the necessary spatial resolution to directly image the granule length-scale of many materials. Successful application of HRCT with fiber-reinforced composites, however, requires extending the HRCT performance beyond current limits. This dissertation will discuss improvements made in the field of CT reconstruction which enable resolutions to be pushed to the point of being able to image the fiber-scale damage structures and

  20. Characterization of Leachate Contaminants from Waste Dumpsites in Maiduguri, Borno State

    Directory of Open Access Journals (Sweden)

    A. M. Kundiri

    2017-02-01

    Full Text Available This study characterized and analysed the constituents of the leachates from four uncontrolled and unlined waste dumpsites in Maiduguri, North eastern Nigeria. The leachate samples were carefully collected from waste dumpsites without any conventional collection equipment and transferred to the laboratory for analysis. The ionic concentration, pH, electrical conductivity (EC, and total dissolved solids (TDS were determined using a conductivity meter, potassium and sodium by photometer; chlorine and calcium by titration method, BOD was computed from dissolved oxygen as determined by Winkler’s method and the UNICAM 969 Atomic Absorption Spectrophotometer was used to measure the cation and anion concentrations. The pH and TDS values ranged between 8.19 to 11.32, and 208 to 7460 mg/l respectively indicating a reduction in the palatability of groundwater below the waste dumpsites due to the presence of large amount of anions and cations. The analysis has so far indicated that the concentration of Fe ion was highest followed by that Pb, Zn, Cr, Mn and Cu ions respectively. This is attributed to the presence of large iron-base materials such as metallic construction materials, fluorescents lamps, electrical appliances, paint products, batteries and wood preservatives. To avert the health-related hazards as a consequence of groundwater contamination by leachates, it is imperative for the Borno State Environmental Protection Agency (BOSEPA to urgently address waste management practices. This could be achieved by employing the environmental engineering principles of waste management as panacea to the threat posed by leachate and other groundwater contaminants in the study area.