Gas-phase synthesis of singly and multiply charged polyoxovanadate anions employing electrospray ionization and collision induced dissociation.

PubMed

Al Hasan, Naila M; Johnson, Grant E; Laskin, Julia

2013-09-01

Electrospray ionization mass spectrometry (ESI-MS) combined with in-source fragmentation and tandem mass spectrometry (MS/MS) experiments were used to generate a wide range of singly and multiply charged vanadium oxide cluster anions including VxOy(n-) and VxOyCl(n-) ions (x = 1-14, y = 2-36, n = 1-3), protonated clusters, and ligand-bound polyoxovanadate anions. The cluster anions were produced by electrospraying a solution of tetradecavanadate, V14O36Cl(L)5 (L = Et4N(+), tetraethylammonium), in acetonitrile. Under mild source conditions, ESI-MS generates a distribution of doubly and triply charged VxOyCl(n-) and VxOyCl(L)((n-1)-) clusters predominantly containing 14 vanadium atoms as well as their protonated analogs. Accurate mass measurement using a high-resolution LTQ/Orbitrap mass spectrometer (m/Δm = 60,000 at m/z 410) enabled unambiguous assignment of the elemental composition of the majority of peaks in the ESI-MS spectrum. In addition, high-sensitivity mass spectrometry allowed the charge state of the cluster ions to be assigned based on the separation of the major from the much less abundant minor isotope of vanadium. In-source fragmentation resulted in facile formation of smaller VxOyCl((1-2)-) and VxOy ((1-2)-) anions. Collision-induced dissociation (CID) experiments enabled systematic study of the gas-phase fragmentation pathways of the cluster anions originating from solution and from in-source CID. Surprisingly simple fragmentation patterns were obtained for all singly and doubly charged VxOyCl and VxOy species generated through multiple MS/MS experiments. In contrast, cluster anions originating directly from solution produced comparatively complex CID spectra. These results are consistent with the formation of more stable structures of VxOyCl and VxOy anions through low-energy CID. Furthermore, our results demonstrate that solution-phase synthesis of one precursor cluster anion combined with gas-phase CID is an efficient approach for the top-down synthesis of a wide range of singly and multiply charged gas-phase metal oxide cluster anions for subsequent investigations of structure and reactivity using mass spectrometry and ion spectroscopy techniques.

Reversible Electrochemical Lithium-Ion Insertion into the Rhenium Cluster Chalcogenide-Halide Re6Se8Cl2.

PubMed

Bruck, Andrea M; Yin, Jiefu; Tong, Xiao; Takeuchi, Esther S; Takeuchi, Kenneth J; Szczepura, Lisa F; Marschilok, Amy C

2018-05-07

The cluster-based material Re 6 Se 8 Cl 2 is a two-dimensional ternary material with cluster-cluster bonding across the a and b axes capable of multiple electron transfer accompanied by ion insertion across the c axis. The Li/Re 6 Se 8 Cl 2 system showed reversible electron transfer from 1 to 3 electron equivalents (ee) at high current densities (88 mA/g). Upon cycling to 4 ee, there was evidence of capacity degradation over 50 cycles associated with the formation of an organic solid-electrolyte interface (between 1.45 and 1 V vs Li/Li + ). This investigation highlights the ability of cluster-based materials with two-dimensional cluster bonding to be used in applications such as energy storage, showing structural stability and high rate capability.

Structure and Energetics of Clusters Relevant to Thorium Tetrachloride Melts

NASA Astrophysics Data System (ADS)

Akdeniz, Z.; Tosi, M. P.

2000-10-01

We study within an ionic model the structure and energetics of neutral and charged molecular clusters which may be relevant to molten ThCl4 and to its liquid mixtures with alkali chlorides, with reference to Raman scattering experiments by Photiadis and Papatheodorou. As stressed by these authors, the most striking facts for ThCl4 in comparison to other tetrachloride compounds (and in particular to ZrCl4) are the appreciable ionic conductivity of the pure melt and the continuous structural changes which occur in the melt mixtures with varying composition. After adjusting our model to data on the isolated ThCl4 tetrahedral molecule, we evaluate (i) the Th2Cl8 dimer and the singly charged species obtained from it by chlorine-ion transfer between two such neutral dimers; (ii) the ThCl6 and ThCl7 clusters both as charged anions and as alkali-compensated species; and (iii) various oligomers carrying positive or negative double charges. Our study shows that the characteristic structural properties of the ThCl4 compound and of the alkali-Th chloride systems are the consequence of the relatively high ionic character of the binding, which is already evident in the isolated ThCl4 monomer.

Theoretical characterization on the size-dependent electron and hole trapping activity of chloride-passivated CdSe nanoclusters

NASA Astrophysics Data System (ADS)

Cui, Yingqi; Cui, Xianhui; Zhang, Li; Xie, Yujuan; Yang, Mingli

2018-04-01

Ligand passivation is often used to suppress the surface trap states of semiconductor quantum dots (QDs) for their continuous photoluminescence output. The suppression process is related to the electrophilic/nucleophilic activity of surface atoms that varies with the structure and size of QD and the electron donating/accepting nature of ligand. Based on first-principles-based descriptors and cluster models, the electrophilic/nucleophilic activities of bare and chloride-coated CdSe clusters were studied to reveal the suppression mechanism of Cl-passivated QDs and compared to experimental observations. The surface atoms of bare clusters have higher activity than inner atoms and their activity decreases with cluster size. In the ligand-coated clusters, the Cd atom remains as the electrophilic site, while the nucleophilic site of Se atoms is replaced by Cl atoms. The activities of Cd and Cl atoms in the coated clusters are, however, remarkably weaker than those in bare clusters. Cluster size, dangling atoms, ligand coverage, electronegativity of ligand atoms, and solvent (water) were found to have considerable influence on the activity of surface atoms. The suppression of surface trap states in Cl-passivated QDs was attributed to the reduction of electrophilic/nucleophilic activity of Cd/Se/Cl atoms. Both saturation to under-coordinated surface atoms and proper selection for the electron donating/accepting strength of ligands are crucial for eliminating the charge carrier traps. Our calculations predicted a similar suppressing effect of chloride ligands with experiments and provided a simple but effective approach to assess the charge carrier trapping behaviors of semiconductor QDs.

A Study of Nine High-Redshift Clusters of Galaxies. II. Photometry, Spectra, and Ages of Clusters 0023+0423 and 1604+4304

NASA Astrophysics Data System (ADS)

Postman, Marc; Lubin, Lori M.; Oke, J. B.

1998-08-01

We present an extensive photometric and spectroscopic study of two high-redshift clusters of galaxies based on data obtained from the Keck 10 m telescopes and the Hubble Space Telescope. The clusters Cl 0023+0423 (z = 0.84) and Cl 1604+4304 (z = 0.90) are part of a multiwavelength program of Oke, Postman & Lubin to study nine candidate clusters at z >~ 0.6. Based on these observations, we study in detail both the field and cluster populations. From the confirmed cluster members, we find that Cl 0023+0423 actually consists of two components separated by ~2900 km s^-1. A kinematic analysis indicates that the two components are a poor cluster with ~3 x 10^14 M_⊙ and a less massive group with ~10^13 M_⊙. Cl 1604+4304 is a centrally concentrated, rich cluster at z = 0.8967 with a velocity dispersion of 1226 km s^-1 and a mass of ~3 x 10^15 M_⊙. A large percentage of the cluster members show high levels of star formation activity. Approximately 57% and 50% of the galaxies are active in Cl 0023+0423 and Cl 1604+4304, respectively. These numbers are significantly larger than those found in intermediate-redshift clusters. We also observe many old, red galaxies. Found mainly in Cl 1604+4304, they have spectra consistent with passive stellar evolution, typical of the populations of early-type galaxies in low- and intermediate-redshift clusters. We have calculated their ages by comparing their spectral energy distributions to standard Bruzual & Charlot evolutionary models. We find that their colors are consistent with models having an exponentially decreasing star formation rate with a time constant of 0.6 Gyr. We also observe a significant luminosity brightening in our brightest cluster galaxies. Compared with brightest cluster galaxies at z ~ 0.1, we find a luminosity increase of ~1 mag in the rest M_B and ~0.8 mag in the rest M_V. In the field, we find that ~76% of the galaxies with z > 0.4 show emission-line activity. These numbers are consistent with previous studies. We find that an exponentially decaying star formation rate is required to produce the observed amount of star formation for the majority of the galaxies in our sample. A time constant of tau = 0.6 Gyr appears to be optimal. We also detect several interesting galaxies at z > 1. Two of these galaxies are extremely luminous, with strong Mg ii lambda2800 absorption and Fe ii resonance-line absorption. These lines are so strong that we conclude that they must be generated within the atmospheres of a large population of young, hot stars.

High-Order Ca(II)-Chloro Complexes in Mixed CaCl2-LiCl Aqueous Solution: Insights from Density Functional Theory and Molecular Dynamics Simulations.

PubMed

Wang, Yu-Lin; Wang, Ying; Yi, Hai-Bo

2016-07-21

In this study, the structural characteristics of high-coordinated Ca-Cl complexes present in mixed CaCl2-LiCl aqueous solution were investigated using density functional theory (DFT) and molecular dynamics (MD) simulations. The DFT results show that [CaClx](2-x) (x = 4-6) clusters are quite unstable in the gas phase, but these clusters become metastable when hydration is considered. The MD simulations show that high-coordinated Ca-chloro complexes are possible transient species that exist for up to nanoseconds in concentrated (11.10 mol·kg(-1)) Cl(-) solution at 273 and 298 K. As the temperature increases to 423 K, these high-coordinated structures tend to disassociate and convert into smaller clusters and single free ions. The presence of high-order Ca-Cl species in concentrated LiCl solution can be attributed to their enhanced hydration shell and the inadequate hydration of ions. The probability of the [CaClx](2-x)aq (x = 4-6) species being present in concentrated LiCl solution decreases greatly with increasing temperature, which also indicates that the formation of the high-coordinated Ca-Cl structure is related to its hydration characteristics.

On the ion-pair dissociation mechanisms in the small NaCl·(H2 O)6 cluster: A perspective from reaction path search calculations.

PubMed

Takayanagi, Toshiyuki; Nakatomi, Taiki; Yonetani, Yoshiteru

2018-04-20

We performed reaction path search calculations for the NaCl·(H 2 O) 6 cluster using the global reaction route mapping (GRRM) code to understand the atomic-level mechanisms of the NaCl → Na +  + Cl - ionic dissociation induced by water solvents. Low-lying minima, transition states connecting two local minima and corresponding intrinsic reaction coordinates on the potential energy surface are explored. We found that the NaCl distances at the transitions states for the dissociation pathways were distributed in a relatively wide range of 2.7-3.7 Å and that the NaCl distance at the transition state did not correlate with the commonly used solvation coordinates. This suggests that the definition of the transition states with specific structures as well as good reaction coordinate is very difficult for the ionic dissociation process even in a small water cluster. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Structure and Binding of Ionic Clusters in Th and Zr Chloride Melts

NASA Astrophysics Data System (ADS)

Akdeniz, Z.; Tosi, M. P.

2001-11-01

We discuss microscopic ionic models for the structure and the binding of small clusters which may exist as structural units in molten ThCl4 and ZrCl4 and in their mixtures with alkali halides according to Raman scattering studies of Photiadis and Papatheodorou. The models are adjusted to the two isolated tetrahedral molecules. Appreciably higher ionicity is found for ThCl4 than for ZrCl4, and this fact underlies the strikingly different behaviour of the two systems in the dense liquid state -in particular, a molecular-type structure for molten ZrCl4 against a structure including charged oligomers in molten ThCl4.

A study on the redox, spectroscopic, and photophysical characteristics of a series of octahedral hexamolybdenum(ii) clusters: [{Mo6X8}Y6]2- (X, Y = Cl, Br, or I).

PubMed

Akagi, Soichiro; Fujii, Sho; Kitamura, Noboru

2018-01-23

We report a systematic study on the redox, spectroscopic, and photophysical properties of a series of [{Mo 6 X 8 }Y 6 ] 2- (X, Y = Cl, Br, or I. 1-9). All of the [{Mo 6 X 8 }Y 6 ] 2- clusters show intense and long-lived phosphorescence in both CH 3 CN and crystalline phases at 298 K. We found that the emission quantum yields (Φ em ) of 1-9 increase in the sequences X = Cl < Br < I and Y = I < Br < Cl for given Y and X, respectively. The emission lifetimes (τ em ) of the clusters also increase in the sequence Y = I < Br < Cl for given {Mo 6 X 8 } 4+ -core clusters. The present data demonstrate that arbitrary combinations of X and Y in [{Mo 6 X 8 }Y 6 ] 2- could tune τ em and Φ em in the ranges of 85-300 μs and 0.09-0.47, respectively. Both capping (X) and terminal ligand (Y) effects on the photophysical properties of the clusters are discussed on the basis of the energy gap (i.e., emission energy) dependence of the nonradiative decay rate constant.

Gas-Phase Synthesis of Singly and Multiply Charged Polyoxovanadate Anions Employing Electrospray Ionization and Collision Induced Dissociation

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

Al Hasan, Naila M.; Johnson, Grant E.; Laskin, Julia

2013-07-02

Electrospray ionization mass spectrometry (ESI-MS) combined with in-source fragmentation and tandem mass spectrometry (MS/MS) experiments were used to generate a wide range of singly and multiply charged vanadium oxide cluster anions including V xO y n– and V xO yCl n– ions (x = 1–14, y = 2–36, n = 1–3), protonated clusters, and ligand-bound polyoxovanadate anions. The cluster anions were produced by electrospraying a solution of tetradecavanadate, V 14O 36Cl(L) 5 (L = Et 4N +, tetraethylammonium), in acetonitrile. Under mild source conditions, ESI-MS generates a distribution of doubly and triply charged V xO yCl n– and V xOmore » yCl(L) (n–1)– clusters predominantly containing 14 vanadium atoms as well as their protonated analogs. Accurate mass measurement using a high-resolution LTQ/Orbitrap mass spectrometer (m/Δm = 60,000 at m/z 410) enabled unambiguous assignment of the elemental composition of the majority of peaks in the ESI-MS spectrum. In addition, high-sensitivity mass spectrometry allowed the charge state of the cluster ions to be assigned based on the separation of the major from the much less abundant minor isotope of vanadium. In-source fragmentation resulted in facile formation of smaller V xO yCl (1–2)– and V xO y (1–2)– anions. Collision-induced dissociation (CID) experiments enabled systematic study of the gas-phase fragmentation pathways of the cluster anions originating from solution and from in-source CID. Surprisingly simple fragmentation patterns were obtained for all singly and doubly charged V xO yCl and V xO y species generated through multiple MS/MS experiments. In contrast, cluster anions originating directly from solution produced comparatively complex CID spectra. These results are consistent with the formation of more stable structures of V xO yCl and V xO y anions through low-energy CID. Finally and furthermore, our results demonstrate that solution-phase synthesis of one precursor cluster anion combined with gas-phase CID is an efficient approach for the top-down synthesis of a wide range of singly and multiply charged gas-phase metal oxide cluster anions for subsequent investigations of structure and reactivity using mass spectrometry and ion spectroscopy techniques.« less

The association between content of the elements S, Cl, K, Fe, Cu, Zn and Br in normal and cirrhotic liver tissue from Danes and Greenlandic Inuit examined by dual hierarchical clustering analysis.

PubMed

Laursen, Jens; Milman, Nils; Pind, Niels; Pedersen, Henrik; Mulvad, Gert

2014-01-01

Meta-analysis of previous studies evaluating associations between content of elements sulphur (S), chlorine (Cl), potassium (K), iron (Fe), copper (Cu), zinc (Zn) and bromine (Br) in normal and cirrhotic autopsy liver tissue samples. Normal liver samples from 45 Greenlandic Inuit, median age 60 years and from 71 Danes, median age 61 years. Cirrhotic liver samples from 27 Danes, median age 71 years. Element content was measured using X-ray fluorescence spectrometry. Dual hierarchical clustering analysis, creating a dual dendrogram, one clustering element contents according to calculated similarities, one clustering elements according to correlation coefficients between the element contents, both using Euclidian distance and Ward Procedure. One dendrogram separated subjects in 7 clusters showing no differences in ethnicity, gender or age. The analysis discriminated between elements in normal and cirrhotic livers. The other dendrogram clustered elements in four clusters: sulphur and chlorine; copper and bromine; potassium and zinc; iron. There were significant correlations between the elements in normal liver samples: S was associated with Cl, K, Br and Zn; Cl with S and Br; K with S, Br and Zn; Cu with Br. Zn with S and K. Br with S, Cl, K and Cu. Fe did not show significant associations with any other element. In contrast to simple statistical methods, which analyses content of elements separately one by one, dual hierarchical clustering analysis incorporates all elements at the same time and can be used to examine the linkage and interplay between multiple elements in tissue samples. Copyright © 2013 Elsevier GmbH. All rights reserved.

Variable selection based on clustering analysis for improvement of polyphenols prediction in green tea using synchronous fluorescence spectra

NASA Astrophysics Data System (ADS)

Shan, Jiajia; Wang, Xue; Zhou, Hao; Han, Shuqing; Riza, Dimas Firmanda Al; Kondo, Naoshi

2018-04-01

Synchronous fluorescence spectra, combined with multivariate analysis were used to predict flavonoids content in green tea rapidly and nondestructively. This paper presented a new and efficient spectral intervals selection method called clustering based partial least square (CL-PLS), which selected informative wavelengths by combining clustering concept and partial least square (PLS) methods to improve models’ performance by synchronous fluorescence spectra. The fluorescence spectra of tea samples were obtained and k-means and kohonen-self organizing map clustering algorithms were carried out to cluster full spectra into several clusters, and sub-PLS regression model was developed on each cluster. Finally, CL-PLS models consisting of gradually selected clusters were built. Correlation coefficient (R) was used to evaluate the effect on prediction performance of PLS models. In addition, variable influence on projection partial least square (VIP-PLS), selectivity ratio partial least square (SR-PLS), interval partial least square (iPLS) models and full spectra PLS model were investigated and the results were compared. The results showed that CL-PLS presented the best result for flavonoids prediction using synchronous fluorescence spectra.

Variable selection based on clustering analysis for improvement of polyphenols prediction in green tea using synchronous fluorescence spectra.

PubMed

Shan, Jiajia; Wang, Xue; Zhou, Hao; Han, Shuqing; Riza, Dimas Firmanda Al; Kondo, Naoshi

2018-03-13

Synchronous fluorescence spectra, combined with multivariate analysis were used to predict flavonoids content in green tea rapidly and nondestructively. This paper presented a new and efficient spectral intervals selection method called clustering based partial least square (CL-PLS), which selected informative wavelengths by combining clustering concept and partial least square (PLS) methods to improve models' performance by synchronous fluorescence spectra. The fluorescence spectra of tea samples were obtained and k-means and kohonen-self organizing map clustering algorithms were carried out to cluster full spectra into several clusters, and sub-PLS regression model was developed on each cluster. Finally, CL-PLS models consisting of gradually selected clusters were built. Correlation coefficient (R) was used to evaluate the effect on prediction performance of PLS models. In addition, variable influence on projection partial least square (VIP-PLS), selectivity ratio partial least square (SR-PLS), interval partial least square (iPLS) models and full spectra PLS model were investigated and the results were compared. The results showed that CL-PLS presented the best result for flavonoids prediction using synchronous fluorescence spectra.

Synthesis and structures of new niobium cluster compounds with pyridinium cations: (PyrH){sub 2}[Nb{sub 6}Cl{sub 18}].EtOH (Pyr: pyridine, Et: ethyl) and the cubic modification of (PyrH){sub 2}[Nb{sub 6}Cl{sub 18}

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

Flemming, Anke; Hoppe, Alessandra; Koeckerling, Martin

2008-10-15

Slow crystallization of (PyrH){sub 2}[Nb{sub 6}Cl{sub 18}] from hot ethanol solution affords triclinic (PyrH){sub 2}[Nb{sub 6}Cl{sub 18}].EtOH. Treatment of [Nb{sub 6}Cl{sub 14}(H{sub 2}O){sub 4}].4H{sub 2}O with pyridine in a methanol solution gives the second title compound, the cubic modification of (PyrH){sub 2}[Nb{sub 6}Cl{sub 18}]. Both structures were determined by single crystal X-ray diffraction, (PyrH){sub 2}[Nb{sub 6}Cl{sub 18}].EtOH: P1-bar , a=9.3475(3), b=9.3957(3), c=10.8600(3) A, {alpha}=82.582(1){sup o}, {beta}=78.608(1){sup o}, and {gamma}=78.085(1){sup o}, Z=1, R{sub 1}(F)/wR{sub 2}(F{sup 2})=0.0254/0.0573, cub.-(PyrH){sub 2}[Nb{sub 6}Cl{sub 18}]: Fd3-bar m, a=19.935(2) A, Z=8, R{sub 1}(F)/wR{sub 2}(F{sup 2})=0.0557/0.1796. The cluster compounds contain isolated, molecular [Nb{sub 6}Cl{sup i}{sub 12}Cl{sup a}{sub 6}]{supmore » 2-} cluster anions with an octahedron of metal atoms edge bridged by chlorido ligands with additional ones on all the six exo positions. These cluster anions are separated by the pyridinium cations and ethanol solvent molecules, respectively. For the cubic modification of (PyrH){sub 2}[Nb{sub 6}Cl{sub 18}], a structural comparison is given to the known rhombohedral modification using the group-subgroup relations as expressed by a Baernighausen tree. - Graphical abstract: The synthesis and structure of a second cubic modification of (PyrH){sub 2}[Nb{sub 6}Cl{sub 18}] and of the new (PyrH){sub 2}[Nb{sub 6}Cl{sub 18}].EtOH are reported, both of which contain isolated niobium halide cluster anions with an octahedral core of metal atoms.« less

Keck/LRIS Spectroscopy of the Distant Cluster Cl0016+16

NASA Astrophysics Data System (ADS)

Wirth, Gregory D.; Koo, David C.

1994-12-01

The rich galaxy cluster Cl0016+16 at z=0.55 initially achieved visibility (Koo 1981) for being the original ``anti Butcher-Oemler effect'' cluster: its galaxy population was found to be almost entirely red, indistinguishable in rest-frame color from local E/S0 galaxies, despite the expectation that higher redshift clusters should have a greater proportion of blue galaxies (Butcher & Oemler 1978, 1984). Interest in this cluster has heightened over the last decade as: X-ray observations found it to be among the most luminous clusters known (Henry et al. 1992); radio observations showed it to be among only a handful of clusters exhibiting a Sunyaev-Zel'dovich microwave decrement, useful for measuring the Hubble Constant (Lasenby 1992); optical spectroscopy revealed a significant population of ``E+A'' galaxies, enigmatic objects with spectra suggesting a recently-concluded episode of star formation (Dressler & Gunn 1992). Further observations by ROSAT, ASCA, and HST have established Cl0016+16 as among the best-studied clusters beyond Coma. The red nature of its galaxy population makes Cl0016+16 a prime candidate for the study of cluster galaxy evolution. As part of an ongoing effort to study the early-type galaxies in this cluster, we recently used the Keck Telescope and Low-Resolution Imaging Spectrograph to obtain high quality spectra of 19 cluster members at 6 Angstroms (FWHM) resolution. This poster describes the preliminary results from these data, which will allow us to investigate galaxy age and metallicity at lookback times nearly halfway to the Big Bang, probe the internal kinematics of galaxies at z=0.55, and thus perhaps trace the evolution of the ``fundamental plane'' for E/S0 galaxies.

The initial stages of NaCl dissolution: Ion or ion pair solvation?

NASA Astrophysics Data System (ADS)

Klimes, Jiri; Michaelides, Angelos

2009-03-01

The interaction of water with rock salt (NaCl) is important in a wide variety of natural processes and human activities. A lot is known about NaCl dissolution at the macroscopic level but we do not yet have a detailed atomic scale picture of how salt crystals dissolve. Here we report an extensive series of density functional theory, forcefield and molecular dynamics studies of water clusters at flat and defective NaCl surfaces and NaCl clusters. The focus is on answering seemingly elementary questions such as how many water molecules are needed before it becomes favorable to extract an ion or a pair of ions from the crystal or the cluster. It turns out, however, that the answers to these questions are not so straightforward: below a certain number of water molecules (˜ 12) solvation of individual ions is less costly and above this number solvation of ion pairs is favored. These results reveal a hitherto unknown complexity in the NaCl dissolution process born out of a subtle interplay between water-water and water-ion interactions.

The Atacama Cosmology Telescope: ACT-CL J0102-4915 'EL GORDO', A Massive Merging Cluster at Redshift 0.87

NASA Technical Reports Server (NTRS)

Menanteau, Felipe; Hughes, John P.; Sifon, Cristobal; Hilton, Matt; Gonzalez, Jorge; Infante, Leopoldo; Barrientos, L. Felipe; Baker, Andrew J.; Bond, John R.; Das, Sudeep;

Initial hydration processes of magnesium chloride: size-selected anion photoelectron spectroscopy and ab initio calculations.

PubMed

Feng, Gang; Liu, Cheng-Wen; Zeng, Zhen; Hou, Gao-Lei; Xu, Hong-Guang; Zheng, Wei-Jun

2017-06-14

To understand the initial hydration processes of MgCl 2 , we measured photoelectron spectra of MgCl 2 (H 2 O) n - (n = 0-6) and conducted ab initio calculations on MgCl 2 (H 2 O) n - and their neutral counterparts up to n = 7. A dramatic drop in the vertical detachment energy (VDE) was observed upon addition of the first water molecule to bare MgCl 2 - . This large variation in VDE can be associated with the charge-transfer-to-solvent (CTTS) effect occurring in the MgCl 2 (H 2 O) n - clusters, as hydration induces transfer of the excess electron of MgCl 2 - to the water molecules. Investigation of the separation of Cl - -Mg 2+ ion pair shows that, in MgCl 2 (H 2 O) n - anions, breaking of the first Mg-Cl bond occurs at n = 4, while breaking of the second Mg-Cl bond takes place at n = 6. For neutral MgCl 2 (H 2 O) n clusters, breaking of the first Mg-Cl bond starts at n = 7.

Cooperative learning effects on teamwork attitudes in clinical laboratory science students.

PubMed

Laatsch, Linda; Britton, Lynda; Keating, Susan; Kirchner, Phyllis; Lehman, Don; Madsen-Myers, Karen; Milson, Linda; Otto, Catherine; Spence, Libby

2005-01-01

To evaluate clinical laboratory science (CLS) student attitudes toward teamwork when using cooperative learning (CL) as compared to individual learning (IL) in a course and to determine if learning method affects student attitudes toward the course itself. This was a multi-institutional study involving eight classrooms in seven states. The effects of CL and IL on student attitudes were compared for 216 student participants. One group of students learned the course material through a CL approach while a second group of students learned via a traditional IL approach. For each course, the instructor, class material, and examination content was identical for the CL and IL students; the only variable was learning method. Student attitudes toward teamwork and toward the course were evaluated with a 35-item Attitude Questionnaire administered as a posttest. Mean scores for the CL and IL groups were compared using the Student t-test for independent samples. No significant difference was seen between the CL and IL students when assessing the first 30 questions on student attitudes toward teamwork (means = 98.42 and 98.22, respectively) when all institutions were combined. Comparable results were seen for each of the eight institutions. For the five questions comparing attitudes toward the course itself, there usually was no significant difference in attitude between CL and IL students. The only classrooms where CL students had more positive attitudes were those with instructors who had more than 10 years experience with CL. Results suggest that CL produces similar student attitudes toward teamwork and toward a CLS course as does IL.

THE RED SEQUENCE AT BIRTH IN THE GALAXY CLUSTER Cl J1449+0856 AT z = 2

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

Strazzullo, V.; Pannella, M.; Daddi, E.

We use Hubble Space Telescope /WFC3 imaging to study the red population in the IR-selected, X-ray detected, low-mass cluster Cl J1449+0856 at z = 2, one of the few bona fide established clusters discovered at this redshift, and likely a typical progenitor of an average massive cluster today. This study explores the presence and significance of an early red sequence in the core of this structure, investigating the nature of red-sequence galaxies, highlighting environmental effects on cluster galaxy populations at high redshift, and at the same time underlining similarities and differences with other distant dense environments. Our results suggest thatmore » the red population in the core of Cl J1449+0856 is made of a mixture of quiescent and dusty star-forming galaxies, with a seedling of the future red sequence already growing in the very central cluster region, and already characterizing the inner cluster core with respect to lower-density environments. On the other hand, the color–magnitude diagram of this cluster is definitely different from that of lower-redshift z ≲ 1 clusters, as well as of some rare particularly evolved massive clusters at similar redshift, and it is suggestive of a transition phase between active star formation and passive evolution occurring in the protocluster and established lower-redshift cluster regimes.« less

Radio Selection of the Most Distant Galaxy Clusters

NASA Astrophysics Data System (ADS)

Daddi, E.; Jin, S.; Strazzullo, V.; Sargent, M. T.; Wang, T.; Ferrari, C.; Schinnerer, E.; Smolčić, V.; Calabró, A.; Coogan, R.; Delhaize, J.; Delvecchio, I.; Elbaz, D.; Gobat, R.; Gu, Q.; Liu, D.; Novak, M.; Valentino, F.

2017-09-01

We show that the most distant X-ray-detected cluster known to date, Cl J1001 at {z}{spec}=2.506, hosts a strong overdensity of radio sources. Six of them are individually detected (within 10\\prime\\prime ) in deep 0\\buildrel{\\prime\\prime}\\over{.} 75 resolution VLA 3 GHz imaging, with {S}3{GHz}> 8 μ {Jy}. Of the six, an active galactic nucleus (AGN) likely affects the radio emission in two galaxies, while star formation is the dominant source powering the remaining four. We searched for cluster candidates over the full COSMOS 2 deg2 field using radio-detected 3 GHz sources and looking for peaks in {{{Σ }}}5 density maps. Cl J1001 is the strongest overdensity by far with > 10σ , with a simple {z}{phot}> 1.5 preselection. A cruder photometric rejection of z< 1 radio foregrounds leaves Cl J1001 as the second strongest overdensity, while even using all radio sources Cl J1001 remains among the four strongest projected overdensities. We conclude that there are great prospects for future deep and wide-area radio surveys to discover large samples of the first generation of forming galaxy clusters. In these remarkable structures, widespread star formation and AGN activity of massive galaxy cluster members, residing within the inner cluster core, will ultimately lead to radio continuum as one of the most effective means for their identification, with detection rates expected in the ballpark of 0.1-1 per square degree at z≳ 2.5. Samples of hundreds such high-redshift clusters could potentially constrain cosmological parameters and test cluster and galaxy formation models.

SPT-CL J2040–4451: An SZ-selected galaxy cluster at x=1.478 with significant ongoing star formation

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

Bayliss, M. B.; Ashby, M. L. N.; Ruel, J.

2014-09-18

SPT-CL J2040-4451-spectroscopically confirmed at z = 1.478-is the highest-redshift galaxy cluster yet discovered via the Sunyaev-Zel'dovich effect. SPT-CL J2040-4451 was a candidate galaxy cluster identified in the first 720 deg(2) of the South Pole Telescope Sunyaev-Zel'dovich (SPT-SZ) survey, and has been confirmed in follow-up imaging and spectroscopy. From multi-object spectroscopy with Magellan-I/Baade+ IMACS we measure spectroscopic redshifts for 15 cluster member galaxies, all of which have strong [O Pi]lambda lambda 3727 emission. SPT-CL J2040-4451 has an SZ-measured mass of M-500,(SZ) = 3.2 ± 0.8 x 10 14M(circle dot) h(-1) 70, corresponding to M-200,M- (SZ) = 5.8 ± 1.4 x 10more » 14M(circle dot) h(70-)(1.) The velocity dispersion measured entirely from blue star-forming members is sv = 1500 ± 520 km s -1. The prevalence of star-forming cluster members (galaxies with > 1.5M(circle dot) yr -1 implies that this massive, high-redshift cluster is experiencing a phase of active star formation, and supports recent results showing a marked increase in star formation occurring in galaxy clusters at z greater than or similar to 1.4. We also compute the probability of finding a cluster as rare as this in the SPT-SZ survey to be > 99%, indicating that its discovery is not in tension with the concordance Lambda CDM cosmological model.« less

Study on the electronic structure of Al12N12 and Al12P12 fullerene-like nano-clusters upon adsorption of CH3F and CH3Cl

NASA Astrophysics Data System (ADS)

Shokuhi Rad, A.; Zareyee, D.; Pouralijan Foukolaei, V.; Kamyab Moghadas, B.; Peyravi, M.

2016-11-01

We study the interaction of two mono-halomethanes (CH3F and CH3Cl) on Al12N12 and Al12P12 fullerene-like nano-clusters based on density functional theory (DFT). We search on fully optimised adsorbed systems by theoretical investigation considering binding energies, total density of states, natural bond orbital (NBO) charges, and molecular electrostatic potential. We found that the direction of electron transfer is from halomethane to nano-cluster for all systems, indicating p-type semiconductor property of the mentioned nano-clusters. The interaction energy of halomethanes on nano-clusters is evaluated with dispersion corrected (wB97XD) and non-corrected (B3LYP) methods in order to estimate the dispersion effects. The binding energies are found in order of Al12N12-CH3F > Al12N12-CH3Cl > Al12P12-CH3F > Al12P12-CH3Cl with the values of -102.7, -83.7, -64.2, and -48.9 kJ mol-1 based on wB97XD, respectively. We found significant changes in the location of HOMO as well as LUMO of nano-clusters upon adsorption of the above-mentioned molecules. As a result, we suggest the suitability of Al12N12 nano-cluster as a strong adsorbent for practical applications.

Collaborative Learning: Students' Perspectives on How Learning Happens

ERIC Educational Resources Information Center

Almajed, Abdulaziz; Skinner, Vicki; Peterson, Ray; Winning, Tracey

2016-01-01

Collaborative learning (CL), a core component of inquiry-based learning approaches, aims to support students' development of key skills (e.g., working in multidisciplinary teams). To design effective CL activities, we need to understand students' perceptions about CL. However, few studies have examined students' understandings of CL. This…

The knowledge, attitude, and prevention practices of students regarding cutaneous leishmaniasis in the hyperendemic region of the Shahid Babaie Airbase.

PubMed

Saberi, Sedigheh; Zamani, Ahmadreza; Motamedi, Neda; Nilforoushzadeh, Mohammad Ail; Jaffary, Fariba; Rahimi, Ezatollah; Hejazi, Seyed Hossein

2012-04-01

The Shahid Babaie Airbase is one of the most endemic areas of cutaneous leishmaniasis (CL) in Isfahan. Community training on CL prevention could have a critical role in controlling CL in endemic areas. Because of the high incidence of disease among youth, this survey was designed to assess the knowledge, attitude, and prevention practices (KAP) of students regarding CL in this endemic area. This study consisted of a questionnaire that was filled out while interviewing students attending middle and high school on the Shahid Babaie Airbase of Isfahan. The questionnaire contained questions about KAP of students regarding CL. The total scores in each field were categorized as weak, intermediate, or strong. Four hundred fifty students participated in this study, which included 245 high-school students and 205 middle-school students. The total knowledge score of the students was 17.47 (range, 0-30), which indicates an intermediate level of CL knowledge in this population. The students' attitude toward CL was intermediate, with a score of 37 and a range of 13-52. Additionally, practice of prevention was weak (score of 1.8; range, 0-6). There was a significant correlation between gender and both the attitude and knowledge of the students; both scores were higher in female students. Specific knowledge about CL symptoms, carriers, and reservoirs was higher than knowledge about preventative methods. The study revealed that 47.2% of students believed in fortune as a factor involved in acquisition of CL infection. Although 97.9% of students were aware that sandflies carry CL, only 28.6% were able to identify a sandfly. The results of this study further emphasize the importance and necessity of educating this at-risk population by planning direct, in-person training, which is an essential step in improving attitudes and preventative practices toward CL and in controlling CL in endemic areas.

The applicability and effectiveness of cluster analysis

NASA Technical Reports Server (NTRS)

Ingram, D. S.; Actkinson, A. L.

1973-01-01

An insight into the characteristics which determine the performance of a clustering algorithm is presented. In order for the techniques which are examined to accurately cluster data, two conditions must be simultaneously satisfied. First the data must have a particular structure, and second the parameters chosen for the clustering algorithm must be correct. By examining the structure of the data from the Cl flight line, it is clear that no single set of parameters can be used to accurately cluster all the different crops. The effectiveness of either a noniterative or iterative clustering algorithm to accurately cluster data representative of the Cl flight line is questionable. Thus extensive a prior knowledge is required in order to use cluster analysis in its present form for applications like assisting in the definition of field boundaries and evaluating the homogeneity of a field. New or modified techniques are necessary for clustering to be a reliable tool.

Analysis of radiation-induced small Cu particle cluster formation in aqueous CuCl2

USGS Publications Warehouse

Jayanetti, Sumedha; Mayanovic, Robert A.; Anderson, Alan J.; Bassett, William A.; Chou, I.-Ming

2001-01-01

Radition-induced small Cu particle cluster formation in aqueous CuCl2 was analyzed. It was noticed that nearest neighbor distance increased with the increase in the time of irradiation. This showed that the clusters approached the lattice dimension of bulk copper. As the average cluster size approached its bulk dimensions, an increase in the nearest neighbor coordination number was found with the decrease in the surface to volume ratio. Radiolysis of water by incident x-ray beam led to the reduction of copper ions in the solution to themetallic state.

Medical Student Experiences on Consultation-Liaison Psychiatry Rotations: A Nationwide Survey.

PubMed

Meyer, Fremonta; Abbasi, Omair; Kasick, David; Lee, Kewchang; Pelic, Christine; Zinser, Jennifer; Harris, Thomas; Funk, Margo

Consultation-liaison (C-L) psychiatry clerkship rotations may improve medical students' understanding of psychiatric principles relevant to the settings in which they will ultimately practice. This study aimed to characterize students' experiences on C-L rotations. This cross-sectional survey study, sponsored by the Academy of Psychosomatic Medicine Subcommittee on Medical Student Education, was conducted at 5 US medical schools between 2012 and 2016. After the C-L rotation, students completed a voluntary 17-item survey. A total of 235 surveys were collected (mean response rate = 92%). The most frequently endorsed benefit of C-L was learning to manage psychiatric disorders in the context of medical illness (89%). The most frequently endorsed drawback was inconsistent/excessively variable workload (40%). Overall, 82% of respondents recommended C-L to other students; 80% reported that the ideal clerkship would include exposure to both C-L and inpatient psychiatry. Overall, 38% reported that their C-L experience increased their interest in psychiatry as a career. Effect of C-L on interest in psychiatry did not differ by study site, age, sex, clerkship length, or time spent on C-L. Respondents who noted more positive role-modeling on C-L compared to other clerkship rotations were more likely to report increased interest in a psychiatry career (odds ratio = 2.70). Most medical students perceive C-L rotations favorably. Positive role modeling may increase their consideration of psychiatry specialization. The findings that C-L rotation length did not correlate with attitudes and that most students preferred exposure to both inpatient and C-L psychiatry suggest that C-L exposure can beneficially be integrated into core clerkships containing other elements. Copyright © 2018 The Academy of Psychosomatic Medicine. Published by Elsevier Inc. All rights reserved.

Gas-Phase Synthesis of Singly and Multiply Charged Polyoxovanadate Anions Employing Electrospray Ionization and Collision Induced Dissociation

NASA Astrophysics Data System (ADS)

Al Hasan, Naila M.; Johnson, Grant E.; Laskin, Julia

2013-09-01

Electrospray ionization mass spectrometry (ESI-MS) combined with in-source fragmentation and tandem mass spectrometry (MS/MS) experiments were used to generate a wide range of singly and multiply charged vanadium oxide cluster anions including VxOy n- and VxOyCln- ions (x = 1-14, y = 2-36, n = 1-3), protonated clusters, and ligand-bound polyoxovanadate anions. The cluster anions were produced by electrospraying a solution of tetradecavanadate, V14O36Cl(L)5 (L = Et4N+, tetraethylammonium), in acetonitrile. Under mild source conditions, ESI-MS generates a distribution of doubly and triply charged VxOyCln- and VxOyCl(L)(n-1)- clusters predominantly containing 14 vanadium atoms as well as their protonated analogs. Accurate mass measurement using a high-resolution LTQ/Orbitrap mass spectrometer (m/Δm = 60,000 at m/z 410) enabled unambiguous assignment of the elemental composition of the majority of peaks in the ESI-MS spectrum. In addition, high-sensitivity mass spectrometry allowed the charge state of the cluster ions to be assigned based on the separation of the major from the much less abundant minor isotope of vanadium. In-source fragmentation resulted in facile formation of smaller VxOyCl(1-2)- and VxOy (1-2)- anions. Collision-induced dissociation (CID) experiments enabled systematic study of the gas-phase fragmentation pathways of the cluster anions originating from solution and from in-source CID. Surprisingly simple fragmentation patterns were obtained for all singly and doubly charged VxOyCl and VxOy species generated through multiple MS/MS experiments. In contrast, cluster anions originating directly from solution produced comparatively complex CID spectra. These results are consistent with the formation of more stable structures of VxOyCl and VxOy anions through low-energy CID. Furthermore, our results demonstrate that solution-phase synthesis of one precursor cluster anion combined with gas-phase CID is an efficient approach for the top-down synthesis of a wide range of singly and multiply charged gas-phase metal oxide cluster anions for subsequent investigations of structure and reactivity using mass spectrometry and ion spectroscopy techniques.

Evidence for Cluster Evolution from an Improved Measurement of the Velocity Dispersion and Morphological Fraction of Cluster 1324+3011 at z=0.76

NASA Astrophysics Data System (ADS)

Lubin, Lori M.; Oke, J. B.; Postman, Marc

2002-10-01

We have carried out additional spectroscopic observations in the field of cluster Cl 1324+3011 at z=0.76. Combined with the spectroscopy recently presented by Postman, Lubin, & Oke, we now have spectroscopically confirmed 47 cluster members. With this significant number of redshifts, we measure accurately the cluster velocity dispersion to be 1016+126-93 km s-1. The distribution of velocity offsets is consistent with a Gaussian, indicating no substantial velocity substructure. As previously noted for other optically selected clusters at redshifts of z>~0.5, a comparison between the X-ray luminosity (LX) and the velocity dispersion (σ) of Cl 1324+3011 implies that this cluster is underluminous in X-rays by a factor of ~3-40 when compared with the LX-σ relation for local and moderate-redshift clusters. We also examine the morphologies of those cluster members that have available high angular resolution imaging with the Hubble Space Telescope (HST). There are 22 spectroscopically confirmed cluster members within the HST field of view. Twelve of these are visually classified as early-type (elliptical or S0) galaxies, implying an early-type fraction of 0.55+0.17-0.14 in this cluster. This fraction is a factor of ~1.5 lower than that observed in nearby rich clusters. Confirming previous cluster studies, the results for cluster Cl 1324+3011, combined with morphological studies of other massive clusters at redshifts of 0<=z<~1, suggest that the galaxy population in massive clusters is strongly evolving with redshift. This evolution implies that early-type galaxies are forming out of the excess of late-type (spiral, irregular, and peculiar) galaxies over the ~7 Gyr timescale.

The [Mo₆Cl14]2- Cluster is Biologically Secure and Has Anti-Rotavirus Activity In Vitro.

PubMed

Rojas-Mancilla, Edgardo; Oyarce, Alexis; Verdugo, Viviana; Morales-Verdejo, Cesar; Echeverria, Cesar; Velásquez, Felipe; Chnaiderman, Jonas; Valiente-Echeverría, Fernando; Ramirez-Tagle, Rodrigo

2017-07-05

The molybdenum cluster [Mo₆Cl 14 ] 2- is a fluorescent component with potential for use in cell labelling and pharmacology. Biological safety and antiviral properties of the cluster are as yet unknown. Here, we show the effect of acute exposition of human cells and red blood cells to the molybdenum cluster and its interaction with proteins and antiviral activity in vitro. We measured cell viability of HepG2 and EA.hy926 cell lines exposed to increasing concentrations of the cluster (0.1 to 250 µM), by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) colorimetric assay. Hemolysis and morphological alterations of red blood cells, obtained from healthy donors, exposed to the cluster (10 to 200 µM) at 37 °C were analyzed. Furthermore, quenching of tryptophan residues of albumin was performed. Finally, plaque formation by rotavirus SA11 in MA104 cells treated with the cluster (100 to 300 µM) were analyzed. We found that all doses of the cluster showed similar cell viability, hemolysis, and morphology values, compared to control. Quenching of tryptophan residues of albumin suggests a protein-cluster complex formation. Finally, the cluster showed antiviral activity at 300 µM. These results indicate that the cluster [Mo₆Cl 14 ] 2- could be intravenously administered in animals at therapeutic doses for further in vivo studies and might be studied as an antiviral agent.

Formation of novel rare-gas-containing molecules by molecular photodissociation in clusters.

PubMed

Cohen, A; Niv, M Y; Gerber, R B

2001-01-01

Recent work by Räsänen and coworkers showed that photolysis of hydrides in rare-gas matrices results in part in formation of novel, rare-gas-containing molecules. Thus, photolysis of HCl in Xe and of H2O in Xe result respectively in formation of HXeCl and HXeOH in the Xe matrices. Ab initio calculations show that the compounds HRgY so formed are stable in isolation, and that by the strength and nature of the bonding these are molecules, very different from the corresponding weakly bound clusters Rg...HY. This paper presents a study of the formation mechanism of HRgY following the photolysis of HY in clusters Rgn(HY). Calculations are described for HXeCl, as a representative example. Potential energy surfaces that govern the formation of HXeCl in the photolysis of HCl in xenon clusters are obtained, and the dynamics on these surfaces is analyzed, partly with insight from trajectories of molecular dynamics simulations. The potential surfaces are obtained by a new variant of the DIM (diatomics in molecules) and DIIS (diatomics in ionic systems) models. Non-adiabatic couplings are also obtained. The main results are: (1) Properties of HXeCl predicted by the DIM-DIIS model are in reasonable accord with results of ab initio calculations. (2) The potential along the isomerization path HXeCl-->Xe...HCl predicted by DIM is in semiquantitative accord with the ab initio results. (3) Surface-hopping molecular dynamics simulations of the process in clusters, with "on the fly" calculations of the DIM-DIIS potentials and non-adiabatic couplings are computationally feasible. (4) Formation of HXeCl, following photolysis of HCl in Xe54(HCl), requires cage-exit of the H atom as a precondition. The H atom and the Cl can then attack the same Xe atom on opposite sides, leading to charge transfer and production of the ionic HXeCl. (5) Non-adiabatic processes play an important role, both in the reagent configurations, and at the charge-transfer stage. The results open the way to predictions of the formation of new HRgY species.

SPT-CL J2040–4451: An SZ-selected galaxy cluster at z = 1.478 with significant ongoing star formation

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

Bayliss, M. B.; Ruel, J.; Ashby, M. L. N.

2014-10-10

SPT-CL J2040–4451—spectroscopically confirmed at z = 1.478—is the highest-redshift galaxy cluster yet discovered via the Sunyaev-Zel'dovich effect. SPT-CL J2040–4451 was a candidate galaxy cluster identified in the first 720 deg{sup 2} of the South Pole Telescope Sunyaev-Zel'dovich (SPT-SZ) survey, and has been confirmed in follow-up imaging and spectroscopy. From multi-object spectroscopy with Magellan-I/Baade+IMACS we measure spectroscopic redshifts for 15 cluster member galaxies, all of which have strong [O II] λλ3727 emission. SPT-CL J2040–4451 has an SZ-measured mass of M {sub 500,} {sub SZ} = 3.2 ± 0.8 × 10{sup 14} M {sub ☉} h {sub 70}{sup −1}, corresponding to Mmore » {sub 200,} {sub SZ} = 5.8 ± 1.4 × 10{sup 14} M {sub ☉} h {sub 70}{sup −1}. The velocity dispersion measured entirely from blue star-forming members is σ {sub v} = 1500 ± 520 km s{sup –1}. The prevalence of star-forming cluster members (galaxies with >1.5 M {sub ☉} yr{sup –1}) implies that this massive, high-redshift cluster is experiencing a phase of active star formation, and supports recent results showing a marked increase in star formation occurring in galaxy clusters at z ≳ 1.4. We also compute the probability of finding a cluster as rare as this in the SPT-SZ survey to be >99%, indicating that its discovery is not in tension with the concordance ΛCDM cosmological model.« less

Investigation of electronic structure of tri- and tetranuclear molybdenum clusters by X-ray photoelectron and emission spectroscopies and quantum chemical methods

NASA Astrophysics Data System (ADS)

Kryuchkova, Natalya A.; Syrokvashin, Mikhail M.; Gushchin, Artem L.; Korotaev, Evgeniy V.; Kalinkin, Alexander V.; Laricheva, Yuliya A.; Sokolov, Maxim N.

2018-02-01

Charge state studies of compounds [Mo3S4(tu)8(H2O)]Cl4·4H2O (1), [Mo3S4Cl3(dbbpy)3]Cl·5H2O (2), [Mo3S4(CuCl)Cl3(dbbpy)3][CuCl2] (3), containing {Mo3S4}4+ and {Mo3CuS4}5+ cluster cores bearing terminal thiourea (tu) or 4,4‧-di-tert-butyl-2,2‧-bipyridine (dbbpy) ligands, have been performed by X-ray photoelectron and X-ray emission spectroscopies combined with quantum chemical calculations. The best agreement between theory and experiments has been obtained using the B3LYP method. According to the experimental and calculated data, the Mo atoms are in the oxidation state 4+ for all compounds. The energies and shapes of the Cu2p lines indicate formal oxidation states of Cu as 1+. The coordination of Cu(I) to the cluster {Mo3S4} in 3 does not lead to significant changes in the charge state of the molybdenum atoms and the {Mo3S4} unit can be considered as a tridentate metallothia crown ether.

Microsolvation of Cl anion by water clusters: Pertubative Monte Carlo simulations using a hybrid HF/MM potential

NASA Astrophysics Data System (ADS)

Truong, Thanh N.; Stefanovich, Eugene V.

1997-05-01

We present a study of micro-solvation of Cl anion by water clusters of the size up to seven molecules using a perturbative Monte Carlo approach with a hybrid HF/MM potential. In this approach, a perturbation theory was used to avoid performing full SCF calculations at every Monte Carlo step. In this study, the anion is treated quantum mechanically at the HF/6-31G ∗ level of theory while interactions between solvent waters are presented by the TIP3P potential force field. Analysis on the solvent induced dipole moment of the ion indicates that the Cl anion resides most of the time on the surface of the clusters. Accuracy of the perturbative MC approach is also discussed.

Cooperative learning with role play in Chinese pharmacology education.

PubMed

Wang, Jun; Hu, Xiamin; Xi, Jinglei

2012-03-01

Cooperative learning (CL) and role play are both efficient educational tools for enhancing Chinese student active learning and communication skills. This study was designed to obtain student feedback on the format of CL together with role play in the study of pharmacology in Chinese pharmaceutical undergraduates. CL was used in the self-study of new drugs used clinically but neglected in textbook and class teaching, so that groups of students were assigned to become "specialists" in one area of new drugs. Then, these "specialists" taught their new-found knowledge to other groups in role play approach involving an interaction between the pharmacist and a patient. Student perceptions of CL together with role play were examined using an eight-item survey instrument. Students were satisfied with CL together with role play. Majority of the students believed this teaching method enhanced their learning experience, made them gain more pharmacological expertise, increased the awareness of their career in future and self-educational abilities, and fostered their cooperation spirit and confidence. The materials on CL and role play were also believed pertinent. Only 63.4-76.5% and 63.1-37.3% of the students thought "CL and role-play were very funny" and "I felt very relaxed during CL together with role-play", respectively. CL together with role play is an efficient educational tool for enhancing student active-learning and communication skills. But Chinese students will take some time to adapt to this new teaching method.

Design and synthesis of tetranuclear cluster monophosphine-cyclopalladated ferrocenylpyrimidinone complexes from the palladium-catalyzed hydroxylation of chloropyrimidine.

PubMed

Xu, Chen; Zhang, Ya-Peng; Wang, Zhi-Qiang; Fu, Wei-Jun; Hao, Xin-Qi; Xu, Yan; Ji, Bao-Ming

2010-09-28

Hydroxylation of a monomeric triphenylphosphine-cyclopalladated ferrocenylchloropyrimidine [PdCl{[(eta(5)-C(5)H(5))]Fe[(eta(5)-C(5)H(3))-N(2)C(4)H(2)-Cl]}(PPh(3))] with KOH gave the first example of a tetranuclear cluster monophosphine-palladacycle [Pd{[(eta(5)-C(5)H(5))]Fe[(eta(5)-C(5)H(3))-N(2)C(4)H(2)O]}(PPh(3))](4). Additionally, the analogous tricyclohexylphosphine tetranuclear cluster palladacycle has also been successfully synthesized by the same method.

UV laser photoactivation of hexachloroplatinate bound to individual nucleobases in vacuo as molecular level probes of a model photopharmaceutical.

PubMed

Matthews, Edward; Sen, Ananya; Yoshikawa, Naruo; Bergström, Ed; Dessent, Caroline E H

2016-06-01

Isolated molecular clusters of adenine, cytosine, thymine and uracil bound to hexachloroplatinate, PtCl6(2-), have been studied using laser electronic photodissociation spectroscopy to investigate photoactivation of a platinum complex in the vicinity of a nucleobase. These metal complex-nucleobase clusters represent model systems for identifying the fundamental photochemical processes occurring in photodynamic platinum drug therapies that target DNA. This is the first study to explore the specific role of a strongly photoactive platinum compound in the aggregate complex. Each of the clusters studied displays a broadly similar absorption spectra, with a strong λmax ∼ 4.6 eV absorption band and a subsequent increase in the absorption intensity towards higher spectral-energy. The absorption bands are traced to ligand-to-metal-charge-transfer excitations on the PtCl6(2-) moiety within the cluster, and result in Cl(-)·nucleobase and PtCl5(-) as primary photofragments. These results demonstrate how selective photoexcitation can drive distinctive photodecay channels for a model photo-pharmaceutical. In addition, cluster absorption due to excitation of nucleobase-centred chromophores is observed in the region around 5 eV. For the uracil cluster, photofragments consistent with ultrafast decay of the excited state and vibrational predissociation on the ground-state surface are observed. However, this decay channel becomes successively weaker on going from thymine to cytosine to adenine, due to differential coupling of the excited states to the electron detachment continuum. These effects demonstrate the distinctive photophysical characteristics of the different nucleobases, and are discussed in the context of the recently recorded photoelectron spectra of theses clusters.

Detection of a Double Relic in the Torpedo Cluster: SPT-CL J0245-5302

NASA Astrophysics Data System (ADS)

Zheng, Q.; Johnston-Hollitt, M.; Duchesne, S. W.; Li, W. T.

2018-06-01

The Torpedo cluster, SPT-CL J0245-5302 (S0295) is a massive, merging cluster at a redshift of z = 0.300, which exhibits a strikingly similar morphology to the Bullet cluster 1E 0657-55.8 (z = 0.296), including a classic bow shock in the cluster's intra-cluster medium revealed by Chandra X-ray observations. We present Australia Telescope Compact Array data centred at 2.1 GHz and Murchison Widefield Array data at frequencies between 72 MHz and 231 MHz which we use to study the properties of the cluster. We characterise a number of discrete and diffuse radio sources in the cluster, including the detection of two previously unknown radio relics on the cluster periphery. The average spectral index of the diffuse emission between 70 MHz and 3.1 GHz is α =-1.63_{-0.10}^{+0.10} and a radio-derived Mach number for the shock in the west of the cluster is calculated as M = 2.04. The Torpedo cluster is thus a double relic system at moderate redshift.

Weak-Lensing Detection of Cl 1604+4304 at z=0.90

NASA Astrophysics Data System (ADS)

Margoniner, V. E.; Lubin, L. M.; Wittman, D. M.; Squires, G. K.

2005-01-01

We present a weak-lensing analysis of the high-redshift cluster Cl 1604+4304. At z=0.90, this is the highest redshift cluster yet detected with weak lensing. It is also one of a sample of high-redshift, optically selected clusters whose X-ray temperatures are lower than expected based on their velocity dispersions. Both the gas temperature and galaxy velocity dispersion are proxies for its mass, which can be determined more directly by a lensing analysis. Modeling the cluster as a singular isothermal sphere, we find that the mass contained within projected radius R is (3.69+/-1.47)[R/(500 kpc)]×1014 Msolar. This corresponds to an inferred velocity dispersion of 1004+/-199 km s-1, which agrees well with the velocity dispersion of 989+98-76 km s-1 recently measured by Gal & Lubin. These numbers are higher than the 575+110-85 km s-1 inferred from Cl 1604+4304's X-ray temperature; however, all three velocity dispersion estimates are consistent within ~1.9 σ.

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

Ryan, T.R.

The cyclo-addition of two Mo/sub 2/Cl/sub 4/(P(C/sub 6/H/sub 5/)/sub 3/)/sub 2/(CH/sub 3/OH)/sub 2/ molecules has produced a new type of tetrameric molybdenum cluster, Mo/sub 4/Cl/sub 8/L/sub 4/. Structural characterization of this dimer revealed weak molybdenum-methanol bonding which was consistent with the observed reactivity of the compound. New synthetic methods were devised for the preparation of Mo/sub 4/X/sub 8/L/sub 4/ clusters where X = Cl, Br, I, and L = PR/sub 3/, PO/sub 3/, RCN, CH/sub 3/OH. A scheme for the metal-metal bonding in these clusters was presented which was in agreement with the known structural features of Mo/sub 4/Cl/sub 8/(PR/submore » 3/)/sub 4/, R = C/sub 2/H/sub 5/, n-C/sub 4/H/sub 9/. The preparation of the analogous W/sub 4/Cl/sub 8/(PR/sub 3/)/sub 4/ cluster from WCl/sub 4/ was accomplished by application of techniques used in the molybdenum syntheses. The single crystal x-ray structure revealed slight differences from the molybdenum analog which were rationalized in terms of the known behavior in dimeric tungsten and molybdenum species. The attempted preparation of a tetrameric tungsten cluster from W/sub 2/(mhp)/sub 4/ was unsuccessful (mhp = anion of 2-methyl-6-hydroxypyridine). Instead, the new tungsten dimer, W/sub 2/Cl/sub 2/(mhp)/sub 3/, was isolated which possessed a metal-metal bond order of 3.5. The x-ray crystal structure of the dimer revealed that the chlorine atoms was situated cis, one bound to each tungsten. Cyclic voltammetry showed that the compound could be reversibly reduced, presumably to a W/sub 2//sup 4 +/ dimer containing a quadruple metal-metal bond.« less

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

Ryan, T.R.

The cyclo-addition of two Mo/sub 2/Cl/sub 4/(P(C/sub 6/H/sub 5/)/sub 3/)/sub 2/(CH/sub 3/OH)/sub 2/ molecules has produced a new type of tetrameric molybdenum cluster, Mo/sub 4/Cl/sub 8/L/sub 4/. Structural characterization of this dimer revealed weak molybdenum-methanol bonding which was consistent with the observed reactivity of the compound. New synthetic methods were devised for the preparation of Mo/sub 4/X/sub 8/L/sub 4/ clusters where X = Cl, Br, I and L = PR/sub 3/, Po/sub 3/, RCN, CH/sub 3/OH. A scheme for the metal-metal bonding in these clusters was presented which was in agreement with the known structural features of Mo/sub 4/Cl/sub 8/(PR/submore » 3/)/sub 4/, R = C/sub 2/H/sub 5/, n-C/sub 4/H/sub 9/. The preparation of the analogous W/sub 4/Cl/sub 8/(PR/sub 3/)/sub 4/ cluster from WCl/sub 4/ was accomplished by application of techniques used in the molybdenum syntheses. The single crystal x-ray structure revealed slight differences from the molybdenum analog which were rationalized in terms of the known behavior in dimeric tungsten and molybdenum species. The attempted preparation of a tetrameric tungsten cluster from W/sub 2/(mhp)/sub 4/ was unsuccessful (mhp = anion of 2-methyl-6-hydroxypyridine). Instead, the new tungsten dimer, W/sub 2/Cl/sub 2/(mhp)/sub 3/, was isolated which possessed a metal-metal bond order of 3.5. The x-ray crystal structure of the dimer revealed that the chlorine atoms were situated cis, one bound to each tungsten. Cyclic voltammetry showed that the compound could be reversibly reduced, presumably to a W/sub 2//sup 4 +/ dimer containing a quadruple metal-metal bond.« less

Lasagna-type arrays with halide-nitromethane cluster filling. The first recognition of the Hal(-)···HCH2NO2 (Hal = Cl, Br, I) hydrogen bonding.

PubMed

Gushchin, Pavel V; Kuznetsov, Maxim L; Wang, Qian; Karasik, Andrey A; Haukka, Matti; Starova, Galina L; Kukushkin, Vadim Yu

2012-06-21

The previously predicted ability of the methyl group of nitromethane to form hydrogen bonding with halides is now confirmed experimentally based on X-ray data of novel nitromethane solvates followed by theoretical ab initio calculations at the MP2 level of theory. The cationic (1,3,5-triazapentadiene)Pt(II) complexes [Pt{HN=C(NC(5)H(10))N(Ph)C(NH(2))=NPh}(2)](Cl)(2), [1](Hal)(2) (Hal = Cl, Br, I), and [Pt{HN=C(NC(4)H(8)O)N(Ph)C(NH(2))=NPh}(2)](Cl)(2), [2](Cl)(2), were crystallized from MeNO(2)-containing systems providing nitromethane solvates studied by X-ray diffraction. In the crystal structure of [1][(Hal)(2)(MeNO(2))(2)] (Hal = Cl, Br, I) and [2][(Cl)(2)(MeNO(2))(2)], the solvated MeNO(2) molecules occupy vacant spaces between lasagna-type layers and connect to the Hal(-) ion through a weak hydrogen bridge via the H atom of the methyl thus forming, by means of the Hal(-)···HCH(2)NO(2) contact, the halide-nitromethane cluster "filling". The quantum-chemical calculations demonstrated that the short distance between the Hal(-) anion and the hydrogen atom of nitromethane in clusters [1][(Hal)(2)(MeNO(2))(2)] and [2][(Cl)(2)(MeNO(2))(2)] is not just a consequence of the packing effect but a result of the moderately strong hydrogen bonding.

Collision-induced dissociation of [4Fe-4S] cubane cluster complexes: [Fe4S4Cl4 - x(SC2H5)x]2-/1- (x = 0-4)

NASA Astrophysics Data System (ADS)

Fu, You-Jun; Laskin, Julia; Wang, Lai-Sheng

2006-09-01

Collision-induced dissociation (CID) experiments on a series of [4Fe-4S] cluster ions, [Fe4S4Cl4 - x(SC2H5)x]2-/1- (x = 0-4), revealed that their fragmentation channels change with the coordination environment. Among the three Coulomb repulsion related channels for the doubly charged species, the collision induced electron detachment channel was found to become more significant from x = 0 to 4 due to the decreasing electron binding energies and the magnitude of repulsion Coulomb barrier, while both the ligand detachment of Cl- and the fission of the [Fe4S4]2+ core became more and more significant with the increase of the Cl- coordination, and eventually became the dominant channel at x = 0. From the parents containing the SC2H5 ligand, neutral losses of HSC2H5 (62 u) and/or HSCHCH2 (60 u) were observed. It was proposed that inter- and intra-ligand proton transfer could happen during the CID process, resulting in hydrogen coordination to the [4Fe-4S] cluster. In the presence of O2, [Fe4S4Cl3(SC2H5)]2- and [Fe4S4Cl4]2- can form the O2-substituted products [Fe4S4Cl2(SC2H5)O2]- and [Fe4S4Cl3O2]-, respectively. It was shown that the O2 complexation occurs by coordination to the empty iron site of the [4Fe-4S] cubane core after dissociation of one Cl- ligand.

Rates of proton transfer to Fe-S-based clusters: comparison of clusters containing {MFe(mu(2)-S)(2)}n+ and {MFe(3)(mu(3)-S)(4)}n+ (M = Fe, Mo, or W) cores.

PubMed

Bates, Katie; Garrett, Brendan; Henderson, Richard A

2007-12-24

The rates of proton transfer from [pyrH]+ (pyr = pyrrolidine) to the binuclear complexes [Fe2S2Cl4]2- and [S2MS2FeCl2]2- (M = Mo or W) are reported. The reactions were studied using stopped-flow spectrophotometry, and the rate constants for proton transfer were determined from analysis of the kinetics of the substitution reactions of these clusters with the nucleophiles Br- or PhS- in the presence of [pyrH]+. In general, Br- is a poor nucleophile for these clusters, and proton transfer occurs before Br- binds, allowing direct measure of the rate of proton transfer from [pyrH]+ to the cluster. In contrast, PhS- is a better nucleophile, and a pathway in which PhS- binds preferentially to the cluster prior to proton transfer from [pyrH]+ usually operates. For the reaction of [Fe2S2Cl4]2- with PhS- in the presence of [pyrH]+ both pathways are observed. Comparison of the results presented in this paper with analogous studies reported earlier on cuboidal Fe-S-based clusters allows discussion of the factors which affect the rates of proton transfer in synthetic clusters including the nuclearity of the cluster core, the metal composition, and the nature of the terminal ligands. The possible relevance of these findings to the protonation sites of natural Fe-S-based clusters, including FeMo-cofactor from nitrogenase, are presented.

Lowest-energy structures of (C60)nX (X=Li+,Na+,K+,Cl-) and (C60)nYCl (Y=Li,Na,K) clusters for n

PubMed

Hernández-Rojas, J; Bretón, J; Gomez Llorente, J M; Wales, D J

2004-12-22

Basin-hopping global optimization is used to find likely candidates for the lowest minima on the potential energy surface of (C(60))(n)X (X=Li(+),Na(+),K(+),Cl(-)) and (C(60))(n)YCl (Y=Li,Na,K) clusters with n

Observations of High-Redshift X-Ray Selected Clusters with the Sunyaev-Zel'dovich Array

NASA Technical Reports Server (NTRS)

Muchovej, Stephen; Carlstrom, John E.; Cartwright, John; Greer, Christopher; Hawkins, David; Hennessey, Ryan; Joy, Marshall; Lamb, James; Leitch, Erik M.; Loh, Michael;

Observations of High-Redshift X-Ray Selected Clusters with the Sunyaev-Zel'dovich Array

NASA Technical Reports Server (NTRS)

Muchovej, Stephen; Carlstrom, John E.; Cartwright, John; Greer, Christopher; Hawkins, David; Hennessy, Ryan; Joy, Marshall; Lamb, James W.; Leitch, Erik M.; Loh, Michael;

AGN-driven perturbations in the intracluster medium of the cool-core cluster ZwCl 2701

NASA Astrophysics Data System (ADS)

Vagshette, Nilkanth D.; Sonkamble, Satish S.; Naik, Sachindra; Patil, Madhav K.

2016-09-01

We present the results obtained from a total of 123 ks X-ray (Chandra) and 8 h of 1.4 GHz radio (Giant Metrewave Radio Telescope - GMRT) observations of the cool-core cluster ZwCl 2701 (z = 0.214). These observations of ZwCl 2701 showed the presence of an extensive pair of ellipsoidal cavities along the east and west directions within the central region < 20 kpc. Detection of bright rims around the cavities suggested that the radio lobes displaced X-ray-emitting hot gas forming shell-like structures. The total cavity power (mechanical power) that directly heated the surrounding gas and cooling luminosity of the cluster were estimated to be ˜2.27 × 1045 erg s-1 and 3.5 × 1044 erg s-1 , respectively. Comparable values of cavity power and cooling luminosity of ZwCl 2701 suggested that the mechanical power of the active galactic nuclei (AGN) outburst is large enough to balance the radiative cooling in the system. The star formation rate derived from the Hα luminosity was found to be ˜0.60 M⊙ yr-1, which is about three orders of magnitude lower than the cooling rate of ˜196 M⊙ yr-1. Detection of the floor in entropy profile of ZwCl 2701 suggested the presence of an alternative heating mechanism at the centre of the cluster. Lower value of the ratio (˜10-2) between black hole mass accretion rate and Eddington mass accretion rate suggested that launching of jet from the super massive black hole is efficient in ZwCl 2701. However, higher value of ratio (˜103) between black hole mass accretion rate and Bondi accretion rate indicated that the accretion rate required to create cavities is well above the Bondi accretion rate.

Comparative study of mono- and dinuclear complexes of late 3d-metal chlorides with N,N-dimethylformamide in the gas phase.

PubMed

Duchácková, Lucie; Roithová, Jana; Milko, Petr; Zabka, Jan; Tsierkezos, Nikos; Schröder, Detlef

2011-02-07

Mono- and binuclear complexes of N,N-dimethylformamide (DMF) with chlorides of the divalent, late 3d metals M = Co, Ni, Cu, and Zn are investigated by means of electrospray ionization (ESI). Specifically, ESI leads to monocations of the type [(DMF)(n)MCl](+) and [(DMF)(n)M(2)Cl(3)](+), of which the species with n = 2 and 3 were selected for in-depth studies. The latter include collision-induced dissociation experiments, gas-phase infrared spectroscopy, and calculations using density functional theory. The mononuclear complexes [(DMF)(n)MCl](+) almost exclusively lose neutral DMF upon collisional activation with the notable exception of the copper complex, for which also a reduction from Cu(II) to Cu(I) concomitant with the release of atomic chlorine is observed. For the dinuclear clusters, there exists a competition between loss of a DMF ligand and cluster degradation via loss of neutral MCl(2) with decreasing cluster stability from cobalt to zinc. For the specific case of [(DMF)(n)ZnCl](+) and [(DMF)(n)Zn(2)Cl(3)](+), ion-mobility mass spectrometry indicates the existence of two isomeric cluster ions in the case of [(DMF)(2)Zn(2)Cl(3)](+) which corroborates parallel theoretical predictions.

Extended utility of molten-salt chemistry: unprecedented synthesis of a water-soluble salt-inclusion solid comprised of high-nuclearity vanadium oxide clusters.

PubMed

Queen, Wendy L; West, J Palmer; Hudson, Joan; Hwu, Shiou-Jyh

2011-11-07

Polyoxometallates (POMs) are desirable in materials applications ranging from uses as catalysts in selective oxidation reactions to molecular-like building blocks for the preparation of new extended solids. With the use of an unprecedented approach involving high temperature, molten salt methods, a fascinating series of salt-inclusion solids (SISs) that contain high nuclearity POMs has been isolated for the first time. Cs(11)Na(3)(V(15)O(36))Cl(6) (1) was synthesized using the eutectic NaCl/CsCl flux (mp 493 °C) which serves as a reactive solvent in crystal growth and allows for the SIS formation. Its framework can be viewed as an "ionic" lattice composed of alternately packed counterions of Cl-centered [V(15)O(36)Cl](9-) clusters (V15; S = 11/2) and multinuclear [Cs(9)Na(3)Cl(5)](7+) cations. In light of the structural analysis, 1 was proven to be soluble in water giving rise to a dark green solution that is similar in color to single crystals of the title compound. Infrared spectroscopy of the solid formed from fast evaporation of the solution supports the presence of dissolved V15 clusters. Also noteworthy is the magnetization of 1 at 2 K, which reveals an s-shaped plot resembling that of superparamagnetic materials. © 2011 American Chemical Society

Chandra Observations of the Brightest Sunyaev-Zeldovich Effect Cluster

NASA Astrophysics Data System (ADS)

Hughes, John

2011-09-01

We propose deep Chandra observations of ACT-CL J0102-4915, the brightest Sunyaev-Zeldovich effect cluster discovered by the Atacama Cosmology Telescope and South Pole Telescope surveys. These surveys covered approximately 3000 square degrees and are essentially complete to high redshift. Our recent Chandra and VLT optical data reveal ACL-CL J0102-4915 to be undergoing a major merger. It is likely a high redshift (z=0.870) counterpart to the famous ``bullet'' cluster. New Chandra data will determine the properties of the merger shock and the HST/ACS data will provide a weak lensing mass map.

Energetics of halogen impurities in thorium dioxide

NASA Astrophysics Data System (ADS)

Kuganathan, Navaratnarajah; Ghosh, Partha S.; Arya, Ashok K.; Dey, Gautam K.; Grimes, Robin W.

2017-11-01

Defect energies for halogen impurity atoms (Cl, Br and I) in thoria are calculated using the generalized gradient approximation and projector augmented plane wave potentials under the framework of density functional theory. The energy to place a halogen atom at a pre-existing lattice site is the incorporation energy. Seven sites are considered: octahedral interstitial, O vacancy, Th vacancy, Th-O di-vacancy cluster (DV) and the three O-Th-O tri-vacancy cluster (NTV) configurations. For point defects and vacancy clusters, neutral and all possible defect charge states up to full formal charge are considered. The most favourable incorporation site for Cl is the singly charged positive oxygen vacancy while for Br and I it is the NTV1 cluster. By considering the energy to form the defect sites, solution energies are generated. These show that in both ThO2-x and ThO2 the most favourable solution equilibrium site for halides is the single positively charged oxygen vacancy (although in ThO2, I demonstrates the same solubility in the NTV1 and DV clusters). Solution energies are much lower in ThO2-x than in ThO2 indicating that stoichiometry is a significant factor in determining solubility. In ThO2, all three halogens are highly insoluble and in ThO2-x Br and I remain insoluble. Although ½Cl2 is soluble in ThO2-x alternative phases such as ZrCl4 exist which are of lower energy.

A density functional study of second-row dicarbides C2X (X = Na-Cl) with carbon monosulfide molecule: molecular structure and bonding mechanism

NASA Astrophysics Data System (ADS)

Parida, Saroj K.; Sahu, Sridhar

2018-05-01

In present work, a systematic study regarding molecular structure, and bonding mechanism of carbon monosulfide (CS) on second-row dicarbides C2X with (X = Na-Cl) has been investigated within the framework of density functional theory (DFT). In presence of carbon monosulfide molecule, the structures of C2Na, C2Mg, C2Al, and C2Si are found be changed from cyclic to linear, whereas geometries of C2P, C2S, and C2Cl clusters are almost remain unchanged. Interestingly, the bare carbon monosulfide molecule is attached with carbon site of bare C2X clusters rather than the second-row elements (X = Na-Cl). Furthermore, the nature of bonding in C2XCS clusters has been studiedthrough Bader's topological analysis of the electron charge density distribution ρ(r), Laplacian ∇2 ρ(r) and total energy density H BCP at the bond critical points (BCPs) of the clusters within the framework of the atoms in molecules theory (AIM). In C2XCS clusters, electron density at the bond critical point ρ(r) > 0.30 a.u. with negative values of Laplacian ∇2 ρ(r) indicates shared-kind of interactions between both the carbon atoms of C2X and CS molecule. In addition, we also analyze IR spectra that could assist for the experimental detection.

The Atacama Cosmology Telescope: ACT-CL J0102-4215 "El Gordo," a Massive Merging Cluster at Redshift 0.87

NASA Technical Reports Server (NTRS)

Menanteau, Felipe; Hughes, John Pl; Baker, Andrew J.; Sifon, Cristobal; Gonzalez, Jorge; Infante, Leopoldo; Barrientos, L. Felipe; Hilton, Matt; Das, Sudeep; Spergel, David N.;

Perspectives on the energy landscape of Au-Cl binary systems from the structural phase diagram of AuxCly (x + y = 20).

PubMed

Tian, Zhimei; Cheng, Longjiu

2015-05-28

Ligand-protected gold (Au-L) nanoclusters have attracted much attention, where the reported electronic and geometric structures show great diversity. To give a direct and overall view of the energy landscape of Au-L binary systems, the AuxCly (x + y = 20) system is taken as a test case. By intensive global search of the potential energy surface at the level of density functional theory, a diverse set of global minima and low-lying isomers are found at each composition, and the structural phase diagram is obtained. The unbiased global search is carried out using the method combining the genetic algorithm with the TPSS functional. At x = 10 with the stoichiometric ratio of Au and Cl (1 : 1), the cluster presents a catenane structure. When x is in the range of 11-20, the clusters are Au-rich, and the Au-Cl system can be viewed as Cl-protected gold nanoclusters, where the gold cores consist of superatoms, superatom networks, or superatomic molecules in electronic structures. At x = 11-15, the gold cores consist of Au3, Au4 and Au5 2e-superatoms protected by staple motifs. At x = 16-20, the clusters are pyramidal superatomic molecules with one Au16 superatom core bonding with the four vertical atoms (Au or Cl). When x is in the scope of 9-5, the clusters are Cl-rich, and the 5d electrons of Au participate in bonding, resulting in high multiplicities. The Au-Cl binary system shows great diversity and flexibility in electronic and geometric structures, and there are corresponding structures to most of the experimentally produced Au-L nanoclusters in our structural phase diagram. We believe that the structural phase diagram gives an overall perspective on the universe of Au-L nanoclusters.

Site specific ligand substitution in cubane-type Mo3FeS(4)(4+) clusters: kinetics and mechanism of reaction and isolation of mixed ligand Cl/SPh complexes.

PubMed

Algarra, Andrés G; Basallote, Manuel G; Fernandez-Trujillo, M J; Llusar, Rosa; Pino-Chamorro, Jose A; Sorribes, Ivan; Vicent, Cristian

2010-04-21

The synthesis, crystal structure and solution characterization of the cubane-type [Mo(3)(FeCl)S(4)(dmpe)(3)Cl(3)] (1) (dmpe = 1,2-bis(dimethylphophane-ethane)) cluster are reported and the ligand substitution processes of chloride by thiophenolate investigated. The kinetics and the intimate mechanism of these substitutions reveal that compound 1 undergoes a number of Fe and Mo site specific ligand substitution reactions in acetonitrile solutions. In particular, PhS(-) coordination at the tetrahedral Fe site proceeds in a single resolved kinetic step whereas such substitutions at the Mo sites proceed more slowly. The effect of the presence of acids in the reaction media is also investigated and reveals that an acid excess hinders substitution reactions both at the Fe and Mo sites; however, an acid-promoted solvolysis of the Fe-Cl bonds is observed. Electrospray ionization (ESI) and tandem (ESI-MS/MS) mass spectrometry allow the identification of all the reaction intermediates proposed on the basis of stopped-flow measurements. The distinctive site specific reactivity made it possible to isolate two new clusters of the Mo(3)FeS(4)(4+) family featuring mixed chlorine/thiophenolate ligands, namely Mo(3)S(4)(FeSPh)(dmpe)(3)Cl(3) (2) and [Mo(3)S(4)(FeSPh)(dmpe)(3)(SPh)(3)] (3). A detailed computational study has also been carried out to understand the details of the mechanism of substitution at the M-Cl (M = Mo and Fe) bonds as well as the solvolysis at the Fe-Cl sites, with particular emphasis on the role of acids on the substitution process. The results of the calculations are in agreement with the experimental observations, thus justifying the non-existence of an accelerating effect of acids on the thiophenolate substitution reaction, which differs from previous proposals for the Fe(4)S(4) and MoFe(3)S(4) clusters and some related compounds.

Mechanical and Metabolic Responses to Traditional and Cluster Set Configurations in the Bench Press Exercise.

PubMed

García-Ramos, Amador; González-Hernández, Jorge M; Baños-Pelegrín, Ezequiel; Castaño-Zambudio, Adrián; Capelo-Ramírez, Fernando; Boullosa, Daniel; Haff, Guy G; Jiménez-Reyes, Pedro

2017-10-20

García-Ramos, A, González-Hernández, JM, Baños-Pelegrín, E, Castaño-Zambudio, A, Capelo-Ramírez, F, Boullosa, D, Haff, GG, and Jiménez-Reyes, P. Mechanical and metabolic responses to traditional and cluster set configurations in the bench press exercise. J Strength Cond Res XX(X): 000-000, 2017-This study aimed to compare mechanical and metabolic responses between traditional (TR) and cluster (CL) set configurations in the bench press exercise. In a counterbalanced randomized order, 10 men were tested with the following protocols (sets × repetitions [inter-repetition rest]): TR1: 3 × 10 (0-second), TR2: 6 × 5 (0-second), CL5: 3 × 10 (5-second), CL10: 3 × 10 (10-second), and CL15: 3 × 10 (15-second). The number of repetitions (30), interset rest (5 minutes), and resistance applied (10 repetition maximum) were the same for all set configurations. Movement velocity and blood lactate concentration were used to assess the mechanical and metabolic responses, respectively. The comparison of the first and last set of the training session revealed a significant decrease in movement velocity for TR1 (Effect size [ES]: -0.92), CL10 (ES: -0.85), and CL15 (ES: -1.08) (but not for TR2 [ES: -0.38] and CL5 [ES: -0.37]); while blood lactate concentration was significantly increased for TR1 (ES: 1.11), TR2 (ES: 0.90), and CL5 (ES: 1.12) (but not for CL10 [ES: 0.03] and CL15 [ES: -0.43]). Based on velocity loss, set configurations were ranked as follows: TR1 (-39.3 ± 7.3%) > CL5 (-20.2 ± 14.7%) > CL10 (-12.9 ± 4.9%), TR2 (-10.3 ± 5.3%), and CL15 (-10.0 ± 2.3%). The set configurations were ranked as follows based on the lactate concentration: TR1 (7.9 ± 1.1 mmol·L) > CL5 (5.8 ± 0.9 mmol·L) > TR2 (4.2 ± 0.7 mmol·L) > CL10 (3.5 ± 0.4 mmol·L) and CL15 (3.4 ± 0.7 mmol·L). These results support the use of TR2, CL10, and CL15 for the maintenance of high mechanical outputs, while CL10 and CL15 produce less metabolic stress than TR2.

Probing the atomic structure of metallic nanoclusters with the tip of a scanning tunneling microscope.

PubMed

Schouteden, Koen; Lauwaet, Koen; Janssens, Ewald; Barcaro, Giovanni; Fortunelli, Alessandro; Van Haesendonck, Chris; Lievens, Peter

2014-02-21

Preformed Co clusters with an average diameter of 2.5 nm are produced in the gas phase and are deposited under controlled ultra-high vacuum conditions onto a thin insulating NaCl film on Au(111). Relying on a combined experimental and theoretical investigation, we demonstrate visualization of the three-dimensional atomic structure of the Co clusters by high-resolution scanning tunneling microscopy (STM) using a Cl functionalized STM tip that can be obtained on the NaCl surface. More generally, use of a functionalized STM tip may allow for systematic atomic structure determination with STM of nanoparticles that are deposited on metal surfaces.

UTa{sub 2}O(S{sub 2}){sub 3}Cl{sub 6}: A ribbon structure containing a heterobimetallic 5d-5f M{sub 3} cluster

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

Wells, Daniel M.; Chan, George H.; Ellis, Donald E.

2010-02-15

A new solid-state compound containing a heterobimetallic cluster of U and Ta, UTa{sub 2}O(S{sub 2}){sub 3}Cl{sub 6}, has been synthesized and its structure has been characterized by single-crystal X-ray diffraction methods. UTa{sub 2}O(S{sub 2}){sub 3}Cl{sub 6} was synthesized from UCl{sub 4} and Ta{sub 1.2}S{sub 2} at 883 K. The O is believed to have originated in the Ta{sub 1.2}S{sub 2} reactant. The compound crystallizes in the space group P1-bar of the triclinic system. The structure comprises a UTa{sub 2} unit bridged by mu{sub 2}-S{sub 2} and mu{sub 3}-O groups. Each Ta atom bonds to two mu{sub 2}-S{sub 2}, the mu{submore » 3}-O, and two terminal Cl atoms. Each U atom bonds to two mu{sub 2}-S{sub 2}, the mu{sub 3}-O, and four Cl atoms. The Cl atoms bridge in pairs to neighboring U atoms to form a ribbon structure. The bond distances are normal and are consistent with formal oxidation states of +IV/+V/-II/-I/-I for U/Ta/O/S/Cl, respectively. The optical absorbance spectrum displays characteristic transition peaks near the absorption edge. Density functional theory was used to assign these peaks to transitions between S{sup 1-} valence-band states and empty U 5f-6d hybrid bands. Density-of-states analysis shows overlap between Ta 5d and U bands, consistent with metal-metal interactions. - The UTa2O(S2)3Cl6 cluster with completed coordination sphere around uranium« less

O-H anharmonic vibrational motions in Cl(-)···(CH3OH)(1-2) ionic clusters. Combined IRPD experiments and AIMD simulations.

PubMed

Beck, Jordan P; Cimas, Alvaro; Lisy, James M; Gaigeot, Marie-Pierre

2014-02-05

The structures of Cl(-)-(Methanol)1,2 clusters have been unraveled combining Infrared Predissociation (IR-PD) experiments and DFT-based molecular dynamics simulations (DFT-MD) at 100 K. The dynamical IR spectra extracted from DFT-MD provide the initial 600 cm(-1) large anharmonic red-shift of the O-H stretch from uncomplexed methanol (3682 cm(-1)) to Cl(-)-(Methanol)1 complex (3085 cm(-1)) as observed in the IR-PD experiment, as well as the subtle supplementary blue- and red-shifts of the O-H stretch in Cl(-)-(Methanol)2 depending on the structure. The anharmonic vibrational calculations remarkably provide the 100 cm(-1) O-H blue-shift when the two methanol molecules are simultaneously organized in the anion first hydration shell (conformer 2A), while they provide the 240 cm(-1) O-H red-shift when the second methanol is in the second hydration shell of Cl(-) (conformer 2B). RRKM calculations have also shown that 2A/2B conformers interconvert on a nanosecond time-scale at the estimated 100 K temperature of the clusters formed by evaporative cooling of argon prior to the IR-PD process. Copyright © 2013 Elsevier B.V. All rights reserved.

Molecular dynamics simulation, ab initio calculation, and size-selected anion photoelectron spectroscopy study of initial hydration processes of calcium chloride.

PubMed

He, Zhili; Feng, Gang; Yang, Bin; Yang, Lijiang; Liu, Cheng-Wen; Xu, Hong-Guang; Xu, Xi-Ling; Zheng, Wei-Jun; Gao, Yi Qin

2018-06-14

To understand the initial hydration processes of CaCl 2 , we performed molecular simulations employing the force field based on the theory of electronic continuum correction with rescaling. Integrated tempering sampling molecular dynamics were combined with ab initio calculations to overcome the sampling challenge in cluster structure search and refinement. The calculated vertical detachment energies of CaCl 2 (H 2 O) n - (n = 0-8) were compared with the values obtained from photoelectron spectra, and consistency was found between the experiment and computation. Separation of the Cl-Ca ion pair is investigated in CaCl 2 (H 2 O) n - anions, where the first Ca-Cl ionic bond required 4 water molecules, and both Ca-Cl bonds are broken when the number of water molecules is larger than 7. For neutral CaCl 2 (H 2 O) n clusters, breaking of the first Ca-Cl bond starts at n = 5, and 8 water molecules are not enough to separate the two ion pairs. Comparing with the observations on magnesium chloride, it shows that separating one ion pair in CaCl 2 (H 2 O) n requires fewer water molecules than those for MgCl 2 (H 2 O) n . Coincidentally, the solubility of calcium chloride is higher than that of magnesium chloride in bulk solutions.

Chandra Observations of the Brightest Sunyaev-Zeldovich Effect Cluster

NASA Astrophysics Data System (ADS)

Hughes, John

2011-10-01

We propose deep Chandra observations of ACT-CL J0102-4915, the brightest Sunyaev-Zeldovich effect cluster discovered by the Atacama Cosmology Telescope and South Pole Telescope surveys. These surveys covered approximately 3000 square degrees and are essentially complete to high redshift. Our recent Chandra and VLT optical data reveal ACL-CL J0102-4915 to be undergoing a major merger. It is likely a high redshift {z=0.870} counterpart to the famous A?A?bulletA?A? cluster. New Chandra data will determine the properties of the merger shock and the HST/ACS data will provide a weak lensing mass map.

Anisotropic Etching Using Reactive Cluster Beams

NASA Astrophysics Data System (ADS)

Koike, Kunihiko; Yoshino, Yu; Senoo, Takehiko; Seki, Toshio; Ninomiya, Satoshi; Aoki, Takaaki; Matsuo, Jiro

2010-12-01

The characteristics of Si etching using nonionic cluster beams with highly reactive chlorine-trifluoride (ClF3) gas were examined. An etching rate of 40 µm/min or higher was obtained even at room temperature when a ClF3 molecular cluster was formed and irradiated on a single-crystal Si substrate in high vacuum. The etching selectivity of Si with respect to a photoresist and SiO2 was at least 1:1000. We also succeeded in highly anisotropic etching with an aspect ratio of 10 or higher. Moreover, this etching method has a great advantage of low damage, compared with the conventional plasma process.

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

NASA Astrophysics Data System (ADS)

Gili, Pedro; Tsipis, Athanassios C.

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

Student Teachers' Skills in the Implementation of Collaborative Learning: A Multilevel Approach

ERIC Educational Resources Information Center

Ruys, Ilse; Van Keer, Hilde; Aelterman, Antonia

2011-01-01

This study explores the development of student teachers' skills in implementing collaborative learning (CL) using a multilevel repeated measures design. Participants were 105 pre-service teachers that were trained in CL implementation. The results indicate that student teachers generally perform well in implementing CL. Further, it appears that…

Major cluster mergers and the location of the brightest cluster galaxy

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

Martel, Hugo; Robichaud, Fidèle; Barai, Paramita, E-mail: Hugo.Martel@phy.ulaval.ca

Using a large N-body cosmological simulation combined with a subgrid treatment of galaxy formation, merging, and tidal destruction, we study the formation and evolution of the galaxy and cluster population in a comoving volume (100 Mpc){sup 3} in a ΛCDM universe. At z = 0, our computational volume contains 1788 clusters with mass M {sub cl} > 1.1 × 10{sup 12} M {sub ☉}, including 18 massive clusters with M {sub cl} > 10{sup 14} M {sub ☉}. It also contains 1, 088, 797 galaxies with mass M {sub gal} ≥ 2 × 10{sup 9} M {sub ☉} and luminositymore » L > 9.5 × 10{sup 5} L {sub ☉}. For each cluster, we identified the brightest cluster galaxy (BCG). We then computed two separate statistics: the fraction f {sub BNC} of clusters in which the BCG is not the closest galaxy to the center of the cluster in projection, and the ratio Δv/σ, where Δv is the difference in radial velocity between the BCG and the whole cluster and σ is the radial velocity dispersion of the cluster. We found that f {sub BNC} increases from 0.05 for low-mass clusters (M {sub cl} ∼ 10{sup 12} M {sub ☉}) to 0.5 for high-mass clusters (M {sub cl} > 10{sup 14} M {sub ☉}) with very little dependence on cluster redshift. Most of this result turns out to be a projection effect and when we consider three-dimensional distances instead of projected distances, f {sub BNC} increases only to 0.2 at high-cluster mass. The values of Δv/σ vary from 0 to 1.8, with median values in the range 0.03-0.15 when considering all clusters, and 0.12-0.31 when considering only massive clusters. These results are consistent with previous observational studies and indicate that the central galaxy paradigm, which states that the BCG should be at rest at the center of the cluster, is usually valid, but exceptions are too common to be ignored. We built merger trees for the 18 most massive clusters in the simulation. Analysis of these trees reveal that 16 of these clusters have experienced 1 or several major or semi-major mergers in the past. These mergers leave each cluster in a non-equilibrium state, but eventually the cluster settles into an equilibrium configuration, unless it is disturbed by another major or semi-major merger. We found evidence that these mergers are responsible for the off-center positions and peculiar velocities of some BCGs. Our results thus support the merging-group scenario, in which some clusters form by the merging of smaller groups in which the galaxies have already formed, including the galaxy destined to become the BCG. Finally, we argue that f {sub BNC} is not a very robust statistics, as it is very sensitive to projection and selection effects, but that Δv/σ is more robust. Still, both statistics exhibit a signature of major mergers between clusters of galaxies.« less

Molecular dynamics simulation, ab initio calculation, and size-selected anion photoelectron spectroscopy study of initial hydration processes of calcium chloride

NASA Astrophysics Data System (ADS)

He, Zhili; Feng, Gang; Yang, Bin; Yang, Lijiang; Liu, Cheng-Wen; Xu, Hong-Guang; Xu, Xi-Ling; Zheng, Wei-Jun; Gao, Yi Qin

2018-06-01

To understand the initial hydration processes of CaCl2, we performed molecular simulations employing the force field based on the theory of electronic continuum correction with rescaling. Integrated tempering sampling molecular dynamics were combined with ab initio calculations to overcome the sampling challenge in cluster structure search and refinement. The calculated vertical detachment energies of CaCl2(H2O)n- (n = 0-8) were compared with the values obtained from photoelectron spectra, and consistency was found between the experiment and computation. Separation of the Cl—Ca ion pair is investigated in CaCl2(H2O)n- anions, where the first Ca—Cl ionic bond required 4 water molecules, and both Ca—Cl bonds are broken when the number of water molecules is larger than 7. For neutral CaCl2(H2O)n clusters, breaking of the first Ca—Cl bond starts at n = 5, and 8 water molecules are not enough to separate the two ion pairs. Comparing with the observations on magnesium chloride, it shows that separating one ion pair in CaCl2(H2O)n requires fewer water molecules than those for MgCl2(H2O)n. Coincidentally, the solubility of calcium chloride is higher than that of magnesium chloride in bulk solutions.

cis-2,2'-Bipyrimidine-bridged polynuclear complex: a stairway-like mixed-valent {Fe(4)} cluster.

PubMed

Alborés, Pablo; Rentschler, Eva

2010-10-04

We report the first example of a polynuclear discrete coordination compound exhibiting only bpym bridges and containing a first-row d transition metal. A smooth self-assembly one-pot synthetic route, starting from simply FeCl(2) and FeCl(3) hydrates, allowed us to prepare a tetranuclear Fe(4) cluster with a stairway-like structure and the formula cis-{[(H(2)O)Cl(3)Fe(III)-μ(bpym)Fe(II)Cl(2)]}(2)-μ(bpym) (1) . All spectroscopic data suggest that complex 1 is a valence-localized mixed-valent Fe(II)-Fe(III) cluster with typical Mössbauer lines for both sites, which do not change with temperature. Reflectance spectroscopy did not allow one to distinguish an intervalence charge-transfer band. However, time-dependent density functional theory (DFT) calculations predict a weak high-energy Fe(II) → Fe(III) transition. Regarding the magnetic properties, the high-spin Fe(II) and Fe(III) ions interact in a weakly antiferromagnetic way with isotropic J constants of only a few wavenumbers as derived from direct-current susceptibility and magnetization data. Broken-symmetry DFT calculations support these observations.

First Weak-lensing Results from “See Change”: Quantifying Dark Matter in the Two z ≳ 1.5 High-redshift Galaxy Clusters SPT-CL J2040-4451 and IDCS J1426+3508

NASA Astrophysics Data System (ADS)

Jee, M. James; Ko, Jongwan; Perlmutter, Saul; Gonzalez, Anthony; Brodwin, Mark; Linder, Eric; Eisenhardt, Peter

2017-10-01

We present a weak-lensing study of SPT-CL J2040-4451 and IDCS J1426+3508 at z = 1.48 and 1.75, respectively. The two clusters were observed in our “See Change” program, a Hubble Space Telescope survey of 12 massive high-redshift clusters aimed at high-z supernova measurements and weak-lensing estimation of accurate cluster masses. We detect weak but significant galaxy shape distortions using infrared images from the Wide Field Camera 3 (WFC3), which has not yet been used for weak-lensing studies. Both clusters appear to possess relaxed morphology in projected mass distribution, and their mass centroids agree nicely with those defined by both the galaxy luminosity and X-ray emission. Using a Navarro-Frenk-White profile, for which we assume that the mass is tightly correlated with the concentration parameter, we determine the masses of SPT-CL J2040-4451 and IDCS J1426 + 3508 to be {M}200={8.6}-1.4+1.7× {10}14 {M}⊙ and {2.2}-0.7+1.1× {10}14 {M}⊙ , respectively. The weak-lensing mass of SPT-CL J2040-4451 shows that the cluster is clearly a rare object. Adopting the central value, the expected abundance of such a massive cluster at z≳ 1.48 is only ˜ 0.07 in the parent 2500 sq. deg. survey. However, it is yet premature to claim that the presence of this cluster creates a serious tension with the current ΛCDM paradigm unless that tension will remain in future studies after marginalizing over many sources of uncertainties such as the accuracy of the mass function and the mass-concentration relation at the high-mass end. The mass of IDCS J1426+3508 is in excellent agreement with our previous Advanced Camera for Surveys-based weak-lensing result, while the much higher source density from our WFC3 imaging data makes the current statistical uncertainty ˜ 40% smaller.

Synthesis, characterization and optical non-linearity of two heterobimetallic copper clusters containing tetraselenometalates

NASA Astrophysics Data System (ADS)

Zhang, Qian-Feng; Zhang, Chi; Song, Ying-Lin; Xin, Xin-Quan

2000-07-01

Cluster [{MoCu 3Se 3Br}(PPh 3) 3Se]·3THF·H 2O ( 1·3THF·H 2O) was prepared from reaction of [Et 4N] 2[MoSe] 4, Cu(PPh 3) 2NO 3 and Et 4N·Br in CH 2Cl 2 solution; also, 1 can be also obtained from the reaction of [MoSe 4Cu 4Py 6Br 2] and excess PPh 3 in a DMF-CH 2Cl 2 mixture solvent. The 95Mo NMR technique was used to monitor the above two reaction processes. X-ray crystallographic structure determination shows that it contains a strongly distorted cubane-like {MoCu 3Se 3Br} core. The coordination of the central Mo atom and each Cu atom are distorted from tetrahedral. Cluster [{WCu 3Se 3Cl}(PPh 3) 3Se] ( 2) was synthesized by the reaction of [Et 4N] 2[WSe] 4 and Cu(PPh 3) 2Cl in the solid state for nonlinear optical (NLO) studies. Its structure was reported by Ibers (Inorg. Chem. 31 (1992) 4365). The NLO properties of clusters 1 and 2 were studied. Both NLO absorption and refraction were obtained, and their effective third-order non-linearities were detected with α2=3.4×10 -10 and 5.9×10 -10 m/W and n2=-1.5×10 -17 and -1.3×10 -17 m 2/W , respectively, for the same concentration CH 2Cl 2 solution of 1 and 2. Influence of skeletal atoms to nonlinear absorption is also discussed in the paper.

Aerosols in Northern Morocco: Input pathways and their chemical fingerprint

NASA Astrophysics Data System (ADS)

Benchrif, A.; Guinot, B.; Bounakhla, M.; Cachier, H.; Damnati, B.; Baghdad, B.

2018-02-01

The Mediterranean basin is one of the most sensitive regions in the world regarding climate change and air quality. Deserts and marine aerosols combine with combustion aerosols from maritime traffic, large urban centers, and at a larger scale from populated industrialized regions in Europe. From Tetouan city located in the North of Morocco, we attempted to better figure out the main aerosol transport pathways and their respective aerosol load and chemical profile by examining air mass back trajectory patterns and aerosol chemical compositions from May 2011 to April 2012. The back trajectory analysis throughout the sampling period led to four clusters, for which meteorological conditions and aerosol chemical characteristics have been investigated. The most frequent cluster (CL3: 39%) corresponds to polluted air masses coming from the Mediterranean Basin, characterized by urban and marine vessels emissions out of Spain and of Northern Africa. Two other polluted clusters were characterized. One is of local origin (CL1: 22%), with a marked contribution from urban aerosols (Rabat, Casablanca) and from biomass burning aerosols. The second (CL2: 32%) defines air masses from the near Atlantic Ocean, affected by pollutants emitted from the Iberian coast. A fourth cluster (CL4: 7%) is characterized by rather clean, fast and rainy oceanic air masses, influenced during their last 24 h before reaching Tetouan by similar sources with those affecting CL2, but to a lesser extent. The chemical data show that carbonaceous species are found in the fine aerosols fraction and are generally from local primary sources (low OC/EC) rather than long-range transported. In addition to fresh traffic and maritime vessel aerosols, our results suggest the contribution of local biomass burning.

Nonclinical and Clinical Enterococcus faecium Strains, but Not Enterococcus faecalis Strains, Have Distinct Structural and Functional Genomic Features

PubMed Central

Kim, Eun Bae

2014-01-01

Certain strains of Enterococcus faecium and Enterococcus faecalis contribute beneficially to animal health and food production, while others are associated with nosocomial infections. To determine whether there are structural and functional genomic features that are distinct between nonclinical (NC) and clinical (CL) strains of those species, we analyzed the genomes of 31 E. faecium and 38 E. faecalis strains. Hierarchical clustering of 7,017 orthologs found in the E. faecium pangenome revealed that NC strains clustered into two clades and are distinct from CL strains. NC E. faecium genomes are significantly smaller than CL genomes, and this difference was partly explained by significantly fewer mobile genetic elements (ME), virulence factors (VF), and antibiotic resistance (AR) genes. E. faecium ortholog comparisons identified 68 and 153 genes that are enriched for NC and CL strains, respectively. Proximity analysis showed that CL-enriched loci, and not NC-enriched loci, are more frequently colocalized on the genome with ME. In CL genomes, AR genes are also colocalized with ME, and VF are more frequently associated with CL-enriched loci. Genes in 23 functional groups are also differentially enriched between NC and CL E. faecium genomes. In contrast, differences were not observed between NC and CL E. faecalis genomes despite their having larger genomes than E. faecium. Our findings show that unlike E. faecalis, NC and CL E. faecium strains are equipped with distinct structural and functional genomic features indicative of adaptation to different environments. PMID:24141120

Students' Changing Attitudes and Aspirations Towards Physics During Secondary School

NASA Astrophysics Data System (ADS)

Sheldrake, Richard; Mujtaba, Tamjid; Reiss, Michael J.

2017-11-01

Many countries desire more students to study science subjects, although relatively few students decide to study non-compulsory physics at upper-secondary school and at university. To gain insight into students' intentions to study non-compulsory physics, a longitudinal sample (covering 2258 students across 88 secondary schools in England) was surveyed in year 8 (age 12/13) and again in year 10 (age 14/15). Predictive modelling highlighted that perceived advice, perceived utility of physics, interest in physics, self-concept beliefs (students' subjective beliefs of their current abilities and performance) and home support specifically orientated to physics were key predictors of students' intentions. Latent-transition analysis via Markov models revealed clusters of students, given these factors at years 8 and 10. Students' intentions varied across the clusters, and at year 10 even varied when accounting for the students' underlying attitudes and beliefs, highlighting that considering clusters offered additional explanatory power and insight. Regardless of whether three-cluster, four-cluster, or five-cluster models were considered, the majority of students remained in the same cluster over time; for those who transitioned clusters, more students changed clusters reflecting an increase in attitudes than changed clusters reflecting a decrease. Students in the cluster with the most positive attitudes were most likely to remain within that cluster, while students in clusters with less positive attitudes were more likely to change clusters. Overall, the cluster profiles highlighted that students' attitudes and beliefs may be more closely related than previously assumed, but that changes in their attitudes and beliefs were indeed possible.

Merger driven star-formation activity in Cl J1449+0856 at z=1.99 as seen by ALMA and JVLA

NASA Astrophysics Data System (ADS)

Coogan, R. T.; Daddi, E.; Sargent, M. T.; Strazzullo, V.; Valentino, F.; Gobat, R.; Magdis, G.; Bethermin, M.; Pannella, M.; Onodera, M.; Liu, D.; Cimatti, A.; Dannerbauer, H.; Carollo, M.; Renzini, A.; Tremou, E.

2018-06-01

We use ALMA and JVLA observations of the galaxy cluster Cl J1449+0856 at z=1.99, in order to study how dust-obscured star-formation, ISM content and AGN activity are linked to environment and galaxy interactions during the crucial phase of high-z cluster assembly. We present detections of multiple transitions of 12CO, as well as dust continuum emission detections from 11 galaxies in the core of Cl J1449+0856. We measure the gas excitation properties, star-formation rates, gas consumption timescales and gas-to-stellar mass ratios for the galaxies. We find evidence for a large fraction of galaxies with highly-excited molecular gas, contributing >50% to the total SFR in the cluster core. We compare these results with expectations for field galaxies, and conclude that environmental influences have strongly enhanced the fraction of excited galaxies in this cluster. We find a dearth of molecular gas in the galaxies' gas reservoirs, implying a high star-formation efficiency (SFE) in the cluster core, and find short gas depletion timescales τdep<0.1-0.4 Gyrs for all galaxies. Interestingly, we do not see evidence for increased specific star-formation rates (sSFRs) in the cluster galaxies, despite their high SFEs and gas excitations. We find evidence for a large number of mergers in the cluster core, contributing a large fraction of the core's total star-formation compared with expectations in the field. We conclude that the environmental impact on the galaxy excitations is linked to the high rate of galaxy mergers, interactions and active galactic nuclei in the cluster core.

Correlation of reaction sites during the chlorine extraction by hydrogen atom from Cl /Si(100)-2×1

NASA Astrophysics Data System (ADS)

Hsieh, Ming-Feng; Chung, Jen-Yang; Lin, Deng-Sung; Tsay, Shiow-Fon

2007-07-01

The Cl abstraction by gas-phase H atoms from a Cl-terminated Si(100) surface was investigated by scanning tunneling microscopy (STM), high-resolution core level photoemission spectroscopy, and computer simulation. The core level measurements indicate that some additional reactions occur besides the removal of Cl. The STM images show that the Cl-extracted sites disperse randomly in the initial phase of the reaction, but form small clusters as more Cl is removed, indicating a correlation between Cl-extracted sites. These results suggest that the hot-atom process may occur during the atom-adatom collision.

Efficient Synthesis of Ir-Polyoxometalate Cluster Using a Continuous Flow Apparatus and STM Investigation of Its Coassembly Behavior on HOPG Surface.

PubMed

Zhang, Junyong; Chang, Shaoqing; Suryanto, Bryan H R; Gong, Chunhua; Zeng, Xianghua; Zhao, Chuan; Zeng, Qingdao; Xie, Jingli

2016-06-06

Taking advantage of a continuous-flow apparatus, the iridium(III)-containing polytungstate cluster K12Na2H2[Ir2Cl8P2W20O72]·37H2O (1) was obtained in a reasonable yield (13% based on IrCl3·H2O). Compound 1 was characterized by Fourier transform IR, UV-visible, (31)P NMR, electrospray ionization mass spectrometry (ESI-MS), and thermogravimetric analysis measurements. (31)P NMR, ESI-MS, and elemental analysis all indicated 1 was a new polytungstate cluster compared with the reported K14[(IrCl4)KP2W20O72] compound. Intriguingly, the successful isolation of 1 relied on the custom-built flow apparatus, demonstrating the uniqueness of continuous-flow chemistry to achieve crystalline materials. The catalytic properties of 1 were assessed by investigating the activity on catalyzing the electro-oxidation of ruthenium tris-2,2'-bipyridine [Ru(bpy)3](2+/3+). The voltammetric behavior suggested a coupled catalytic behavior between [Ru(bpy)3](3+/2+) and 1. Furthermore, on the highly oriented pyrolytic graphite surface, 1,3,5-tris(10-carboxydecyloxy) benzene (TCDB) was used as the two-dimensional host network to coassemble cluster 1; the surface morphology was observed by scanning tunneling microscope technique. "S"-shape of 1 was observed, indicating that the cluster could be accommodated in the cavity formed by two TCDB host molecules, leading to a TCDB/cluster binary structure.

Fundamental studies of gas phase ionic reactions by ion mobility spectrometry

NASA Technical Reports Server (NTRS)

Giles, K.; Knighton, W. B.; Sahlstrom, K. E.; Grimsrud, E. P.

1995-01-01

Ion mobility spectrometry (IMS) provides a promising approach to the study of gas phase ionic reactions in buffer gases at unusually high pressures. This point is illustrated here by studies of the Sn2 nucleophilic displacement reaction, Cl(-) + CH3Br yields Br + CH3Br, using IMS at atmospheric pressure. The equilibrium clustering reaction, Cl(-)(CHCI3)(n - 1) + CHCI3 yields Cl(-)(CHCI3)(n), where n = 1 and 2, and the effect of clustering on the Sn2 reaction with CH3Br have also been characterized by this IMS-based kinetic method. Present problems and anticipated improvements in the application of ion mobility spectrometry to studies of other gas phase ionic processes are discussed.

Cooperatively enhanced ionic hydrogen bonds in Cl-(CH3OH)(1-3)Ar clusters.

PubMed

Beck, Jordan P; Lisy, James M

2010-09-23

Infrared predissociation (IRPD) spectra of Cl−(CH3OH)1-3Ar and Cl-(CH3OD)1-3Ar were obtained in the OH and CH stretching regions. The use of methanol-d1 was necessary to distinguish between CH stretches and hydrogen-bonded OH features. The spectra of Cl-(CH3OH)2-3Ar show intense features at frequencies lower than the CH stretches, indicating structures with very strong hydrogen bonds. These strong hydrogen bonds arise from structures in which a Cl-···methanol ionic hydrogen bond is cooperatively enhanced by the presence of a second shell and, in the case of Cl-(CH3OH)3Ar, a third shell methanol. The strongest hydrogen bond is observed in the Cl-(CH3OH)3Ar spectrum at 2733 cm-1, shifted a remarkable -948 cm-1 from the neutral, gas-phase methanol value. Harmonic, ab initio frequency calculations are not adequate in describing these strong hydrogen bonds. Therefore, we describe a simple computational approach to better approximate the hydrogen bond frequencies. Overall, the results of this study indicate that high-energy isomers are very efficiently trapped using our experimental method of introducing Cl- into neutral, cold methanol-argon clusters.

The effect of mining data k-means clustering toward students profile model drop out potential

NASA Astrophysics Data System (ADS)

Purba, Windania; Tamba, Saut; Saragih, Jepronel

2018-04-01

The high of student success and the low of student failure can reflect the quality of a college. One of the factors of fail students was drop out. To solve the problem, so mining data with K-means Clustering was applied. K-Means Clustering method would be implemented to clustering the drop out students potentially. Firstly the the result data would be clustering to get the information of all students condition. Based on the model taken was found that students who potentially drop out because of the unexciting students in learning, unsupported parents, diffident students and less of students behavior time. The result of process of K-Means Clustering could known that students who more potentially drop out were in Cluster 1 caused Credit Total System, Quality Total, and the lowest Grade Point Average (GPA) compared between cluster 2 and 3.

Effectiveness and Cost of Insecticide-Treated Bed Nets and Indoor Residual Spraying for the Control of Cutaneous Leishmaniasis: A Cluster-Randomized Control Trial in Morocco

PubMed Central

Faraj, Chafika; Yukich, Joshua; Adlaoui, El Bachir; Wahabi, Rachid; Mnzava, Abraham Peter; Kaddaf, Mustapha; El Idrissi, Abderrahmane Laamrani; Ameur, Btissam; Kleinschmidt, Immo

2016-01-01

Cutaneous leishmaniasis (CL) remains an important public health problem in Morocco. A cluster-randomized trial was conducted with the following three study arms: 1) long-lasting insecticide-treated nets (LLINs) plus standard of care environmental management (SoC-EM), 2) indoor residual spraying (IRS) with α-cypermethrin plus SoC-EM, and 3) SoC-EM alone. Incidence of new CL cases by passive and active case detection, sandfly abundance, and cost and cost-effectiveness was compared between study arms over 5 years. Incidence of CL and sandfly abundance were significantly lower in the IRS arm compared with SoC-EM (CL incidence rate ratio = 0.32, 95% confidence interval [CI] = 0.15–0.69, P = 0.005 and sandfly abundance ratio = 0.39, 95% CI = 0.18–0.85, P = 0.022). Reductions in the LLIN arm of the study were not significant, possibly due to poor compliance. IRS was effective and more cost-effective for the prevention of CL in Morocco. PMID:26811431

The relationship between the quality of cooperative learning, students' goal preferences, and perceptions of contextual factors in the classroom.

PubMed

Hijzen, Daphne; Boekaerts, Monique; Vedder, Paul

2006-02-01

This study examined relationships between the quality of cooperative learning (CL) and students' goal preferences and perceptions of contextual factors in the classroom. Subjects were 1,920 students in secondary vocational schools. The study focused on four different types of goals: social support, belongingness, mastery, and superiority goals. It was found that social support goals had the strongest relation with the quality of CL. Further we found that the quality of CL was best predicted by a combination of social support goals, evaluations of the extent that students were taught cooperation skills, perception of teacher monitoring behavior, and the availability of academic and emotional peer support. Female students' preferences for mastery and social goals were stronger than those of male students, whereas male students had a stronger preference for superiority goals. Program type functioned as a moderator variable within the relation of students' superiority/ individuality goals and the quality of CL.

Psychosocial impact of scars due to cutaneous leishmaniasis on high school students in Errachidia province, Morocco.

PubMed

Bennis, Issam; Thys, Séverine; Filali, Hind; De Brouwere, Vincent; Sahibi, Hamid; Boelaert, Marleen

2017-04-07

In Morocco, cutaneous leishmaniasis (CL) is usually known to be a slowly healing localized skin disease, but in some cases, it can lead to mutilating scars. The outbreak of CL due to Leishmania major in the Errachidia province in southeastern Morocco between 2008 and 2010 left many adolescents with permanent scar tissue on the face or other exposed body parts. We studied the psychosocial impact of CL on these young people. In 2015 we conducted a cross-sectional survey among high-school students living in boarding schools in two CL-endemic areas of Errachidia: Rissani and Tinejdad. A self-administered questionnaire elicited responses about general knowledge of CL and related scars. An open-ended question focused on the possible psychosocial effects associated with these scars. The quantitative data were analyzed with Epi Info™ and the text data with NVivo software. Almost 20% of 448 respondents reported they had experienced a CL lesion and 87% said it could possibly or definitely lead to psychological consequences. The text analysis showed that girls more often than boys expanded on the negative psychological effects of CL. The students considered CL as "dangerous", "serious", and "deathly", and said it sometimes led to extreme suicidal ideations. The burden of CL in this age group is not negligible. The indelible CL scars lead to self-stigma and social stigma, and the emergence of negative psychological effects in this age group. While some students accepted their CL scars and related suffering as their "destiny", others were eagerly demanding protective measures against CL and treatment for the scars.

Construction of halide-bridged tungsten-copper-sulfide double cubanelike clusters from a new precursor [(Tp*WS2)2(μ-S2)].

PubMed

Wei, Li-Pei; Ren, Zhi-Gang; Zhu, Lian-Wen; Yan, Wen-Yan; Sun, Sha; Wang, Hui-Fang; Lang, Jian-Ping; Sun, Zhen-Rong

2011-05-16

Treatment of [Et(4)N][Tp*WS(3)] (1) (Tp* = hydridotris(3,5-dimethylpyrazol-1-yl)borate) with 2 equiv of AgSCN in MeCN afforded a novel neutral compound [(Tp*WS(2))(2)(μ-S(2))] (2). Reactions of 2 with excess CuX (X = Cl, Br, I) in MeCN and CH(2)Cl(2) or CHCl(3) formed three neutral W/Cu/S clusters [{Tp*W(μ(3)-S)(3)Cu(3)(μ-Cl)}(2)Cu(μ-Cl)(2)(μ(7)-Cl)(MeCN)](2) (3), [{Tp*W(μ(3)-S)(3)Cu(3)}(2)Br(μ-Br)(2)(μ(4)-Br)(MeCN)] (4), and [{Tp*W(μ(3)-S)(3)Cu(3)}(2){Cu(2)(μ-I)(4)(μ(3)-I)(2)}] (5), respectively. On the other hand, treatment of 2 with CuX (X = Cl, Br) in the presence of Et(4)NX (X = Cl, Br) produced two anionic W/Cu/S clusters [Et(4)N][{Tp*W(μ(3)-S)(3)Cu(3)X}(2)(μ-X)(2)(μ(4)-X)] (6: X = Cl; 7 X = Br). Compounds 2-7 were characterized by elemental analysis, IR, UV-vis, (1)H NMR, electrospray ionization (ESI) mass spectra, and single-crystal X-ray crystallography. The dimeric structure of 2 can be viewed as two [Tp*WS(2)] fragments in which two W atoms are connected by one S(2)(2-) dianion. Compounds 3-7 all possess unique halide-bridged double cubanelike frameworks. For 3, two [Tp*W(μ(3)-S)(3)Cu(3)](2+) dications are linked via a μ(7)-Cl(-) bridge, two μ-Cl(-) bridges, and a [Cu(MeCN)(μ-Cl)(2)](+) bridge. For 4, one [Tp*W(μ(3)-S)(3)Cu(3)(MeCN)](2+) dication and one [Tp*W(μ(3)-S)(3)Cu(3)Br](+) cation are linked via a μ(4)-Br(-) and two μ-Br(-) bridges. For 5, the two [Tp*W(μ(3)-S)(3)Cu(3)](2+) dications are bridged by a linear [(μ-I)(2)Cu(μ(3)-I)(2)Cu(μ-I)(2)](4+) species. For 6 and 7, two [Tp*W(μ(3)-S)(3)Cu(3)X](+) cations are linked by a μ(4)-X(-) and two μ-X(-) bridges (X = Cl, Br). In addition, the third-order nonlinear optical (NLO) properties of 2-7 in MeCN/CH(2)Cl(2) were investigated by using femtosecond degenerate four-wave mixing (DFWM) technique.

Simulations of cm-wavelength Sunyaev-Zel'dovich galaxy cluster and point source blind sky surveys and predictions for the RT32/OCRA-f and the Hevelius 100-m radio telescope

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

Lew, Bartosz; Kus, Andrzej; Birkinshaw, Mark

We investigate the effectiveness of blind surveys for radio sources and galaxy cluster thermal Sunyaev-Zel'dovich effects (TSZEs) using the four-pair, beam-switched OCRA-f radiometer on the 32-m radio telescope in Poland. The predictions are based on mock maps that include the cosmic microwave background, TSZEs from hydrodynamical simulations of large scale structure formation, and unresolved radio sources. We validate the mock maps against observational data, and examine the limitations imposed by simplified physics. We estimate the effects of source clustering towards galaxy clusters from NVSS source counts around Planck-selected cluster candidates, and include appropriate correlations in our mock maps. The studymore » allows us to quantify the effects of halo line-of-sight alignments, source confusion, and telescope angular resolution on the detections of TSZEs. We perform a similar analysis for the planned 100-m Hevelius radio telescope (RTH) equipped with a 49-beam radio camera and operating at frequencies up to 22 GHz.We find that RT32/OCRA-f will be suitable for small-field blind radio source surveys, and will detect 33{sup +17}{sub −11} new radio sources brighter than 0.87 mJy at 30 GHz in a 1 deg{sup 2} field at > 5σ CL during a one-year, non-continuous, observing campaign, taking account of Polish weather conditions. It is unlikely that any galaxy cluster will be detected at 3σ CL in such a survey. A 60-deg{sup 2} survey, with field coverage of 2{sup 2} beams per pixel, at 15 GHz with the RTH, would find <1.5 galaxy clusters per year brighter than 60 μJy (at 3σ CL), and would detect about 3.4 × 10{sup 4} point sources brighter than 1 mJy at 5σ CL, with confusion causing flux density errors ∼< 2% (20%) in 68% (95%) of the detected sources.A primary goal of the planned RTH will be a wide-area (π sr) radio source survey at 15 GHz. This survey will detect nearly 3 × 10{sup 5} radio sources at 5σ CL down to 1.3 mJy, and tens of galaxy clusters, in one year of operation with typical weather conditions. Confusion will affect the measured flux densities by ∼< 1.5% (16%) for 68% (95%) of the point sources. We also gauge the impact of the RTH by investigating its performance if equipped with the existing RT32 receivers, and the performance of the RT32 equipped with the RTH radio camera.« less

The Tully-Fisher Relation in Cluster Cl 0024+1654 at z=0.4

NASA Astrophysics Data System (ADS)

Metevier, Anne J.; Koo, David C.; Simard, Luc; Phillips, Andrew C.

2006-06-01

Using moderate-resolution Keck spectra, we have examined the velocity profiles of 15 members of cluster Cl 0024+1654 at z=0.4. WFPC2 images of the cluster members have been used to determine structural parameters, including disk sizes, orientations, and inclinations. We compare two methods of optical rotation curve analysis for kinematic measurements. Both methods take seeing, slit size and orientation, and instrumental effects into account and yield similar rotation velocity measurements. Four of the galaxies in our sample exhibit unusual kinematic signatures, such as noncircular motions. Our key result is that the Cl 0024 galaxies are marginally underluminous (0.50+/-0.23 mag), given their rotation velocities, as compared to the local Tully-Fisher relation. In this analysis, we assume no slope evolution and take into account systematic differences between local and distant velocity and luminosity measurements. Our result is particularly striking considering that the Cl 0024 members have very strong emission lines and local galaxies with similar Hα equivalent widths tend to be overluminous on the Tully-Fisher relation. Cl 0024 Tully-Fisher residuals appear to be correlated most strongly with galaxy rotation velocities, indicating a possible change in the slope of the Tully-Fisher relation. However, we caution that this result may be strongly affected by magnitude selection and by the original slope assumed for the analysis. Cl 0024 residuals also depend weakly on color, emission-line strength and extent, and photometric asymmetry. In a comparison of stellar and gas motions in two Cl 0024 members, we find no evidence for counterrotating stars and gas, an expected signature of mergers. Based on observations obtained at the W. M. Keck Observatory, which is operated jointly by the California Institute of Technology and the University of California. Based in part on observations with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 5-26555.

Behavioral Health Risk Profiles of Undergraduate University Students in England, Wales, and Northern Ireland: A Cluster Analysis.

PubMed

El Ansari, Walid; Ssewanyana, Derrick; Stock, Christiane

2018-01-01

Limited research has explored clustering of lifestyle behavioral risk factors (BRFs) among university students. This study aimed to explore clustering of BRFs, composition of clusters, and the association of the clusters with self-rated health and perceived academic performance. We assessed (BRFs), namely tobacco smoking, physical inactivity, alcohol consumption, illicit drug use, unhealthy nutrition, and inadequate sleep, using a self-administered general Student Health Survey among 3,706 undergraduates at seven UK universities. A two-step cluster analysis generated: Cluster 1 (the high physically active and health conscious) with very high health awareness/consciousness, good nutrition, and physical activity (PA), and relatively low alcohol, tobacco, and other drug (ATOD) use. Cluster 2 (the abstinent) had very low ATOD use, high health awareness, good nutrition, and medium high PA. Cluster 3 (the moderately health conscious) included the highest regard for healthy eating, second highest fruit/vegetable consumption, and moderately high ATOD use. Cluster 4 (the risk taking) showed the highest ATOD use, were the least health conscious, least fruit consuming, and attached the least importance on eating healthy. Compared to the healthy cluster (Cluster 1), students in other clusters had lower self-rated health, and particularly, students in the risk taking cluster (Cluster 4) reported lower academic performance. These associations were stronger for men than for women. Of the four clusters, Cluster 4 had the youngest students. Our results suggested that prevention among university students should address multiple BRFs simultaneously, with particular focus on the younger students.

Students' Perceptions of Self-Directed Learning and Collaborative Learning with and without Technology

ERIC Educational Resources Information Center

Lee, K.; Tsai, P.-S.; Chai, C. S.; Koh, J. H. L.

2014-01-01

This study explored students' perceptions of self-directed learning (SDL) and collaborative learning (CL) with/without technology in an information and communications technology-supported classroom environment. The factors include SDL, CL, SDL supported by technology, and CL supported by technology. Based on the literature review, this study…

Diffuse Optical Intracluster Light as a Measure of Stellar Tidal Stripping: The Cluster CL0024+17 at z ~ 0.4 Observed at the Large Binocular Telescope

NASA Astrophysics Data System (ADS)

Giallongo, E.; Menci, N.; Grazian, A.; Gallozzi, S.; Castellano, M.; Fiore, F.; Fontana, A.; Pentericci, L.; Boutsia, K.; Paris, D.; Speziali, R.; Testa, V.

2014-01-01

We have evaluated the diffuse intracluster light (ICL) in the central core of the galaxy cluster CL0024+17 at z ~ 0.4 observed with the prime focus camera (Large Binocular Camera) at the Large Binocular Telescope. The measure required an accurate removal of the galaxies' light within ~200 kpc from the center. The residual background intensity has then been integrated in circular apertures to derive the average ICL intensity profile. The latter shows an approximate exponential decline as expected from theoretical cold dark matter models where the ICL is due to the integrated contribution of light from stars that are tidally stripped from the halo of their host galaxies due to encounters with other galaxies in the cluster cold dark matter (CDM) potential. The radial profile of the ICL over the galaxies intensity ratio (ICL fraction) is increasing with decreasing radius, but near the cluster center it starts to bend and then decreases where the overlap of the halos of the brightest cluster galaxies becomes dominant. Theoretical expectations in a simplified CDM scenario show that the ICL fraction profile can be estimated from the stripped over galaxy stellar mass ratio in the cluster. It is possible to show that the latter quantity is almost independent of the properties of the individual host galaxies but mainly depends on the average cluster properties. The predicted ICL fraction profile is thus very sensitive to the assumed CDM profile, total mass, and concentration parameter of the cluster. Adopting values very similar to those derived from the most recent lensing analysis in CL0024+17, we find a good agreement with the observed ICL fraction profile. The galaxy counts in the cluster core have then been compared with that derived from composite cluster samples in larger volumes, up to the clusters virial radius. The galaxy counts in the CL0024+17 core appear flatter and the amount of bending with respect to the average cluster galaxy counts imply a loss of total emissivity in broad agreement with the measured ICL fraction. The present analysis shows that the measure of the ICL fraction in clusters can quantitatively account for the stellar stripping activity in their cores and can be used to probe their CDM distribution and evolutionary status. Observations have been carried out using the Large Binocular Telescope at Mt. Graham, AZ. The LBT is an international collaboration among institutions in the United States, Italy, and Germany. LBT Corporation partners are the University of Arizona on behalf of the Arizona university system; Istituto Nazionale di Astrofisica, Italy; LBT Beteiligungsgesellschaft, Germany, representing the Max-Planck Society, the Astrophysical Institute Potsdam, and Heidelberg University; the Ohio State University; and The Research Corporation, on behalf of the University of Notre Dame, University of Minnesota, and University of Virginia.

Heterometal cubane-type MFe(3)S(4) clusters (M = Mo, V) trigonally symmetrized with hydrotris(pyrazolyl)borate(1-) and tris(pyrazolyl)methanesulfonate(1-) capping ligands.

PubMed

Fomitchev, Dmitry V; McLauchlan, Craig C; Holm, R H

2002-02-25

A series of heterometal cubane-type clusters containing [VFe(3)S(4)](2+) and [MoFe(3)S(4)](3+,2+) cores has been prepared. Ligand substitution of [(DMF)(3)VFe(3)S(4)Cl(3)](-) affords [(Tpms)VFe(3)S(4)L(3)](2)(-) (L = Cl(-) (8), EtS(-) (9), p-MeC(6)H(4)S(-), p-MeC(6)H(4)O(-)). A new procedure for the preparation of molybdenum single cubanes is introduced by the reaction of recently reported [(Tp)MoS(S(4))](-) with FeCl(2)/NaSEt to afford [(Tp)MoFe(3)S(4)Cl(3)](-) (1, 75% yield). This procedure is more efficient that the existing multistep synthesis of single cubanes, which generally affords clusters of mirror symmetry. Also prepared were [(Tp)MoFe(3)S(4)L(3)](-) (L = EtS(-) (2), p-MeC(6)H(4)S(-)). Reduction of 1 with borohydride gives [(Tp)MoFe(3)S(4)Cl(3)](2-) (5, 67%). Owing to the nature of the heterometal ligand, all clusters have idealized trigonal symmetry, reflected in their (1)H NMR spectra. Trigonal structures are demonstrated by crystallography of (Bu(4)N)[1,2], (Bu(4)N)(2)[5] x MeCN, and (Me(4)N)(2)[8,9]. The availability of 1 and 5 allows the first comparison of structures and (57)Fe isomer shifts of [MoFe(3)S(4)](3+,2+) in a constant ligand environment. Small increases in most bond distances indicate that an antibonding electron is added in the reduction of 1. Collective synthetic and electrochemical results from this and other studies demonstrate the existence of the series of oxidation states [VFe(3)S(4)](3+,2+,1+) and [MoFe(3)S(4)](4+,3+,2+) whose relative stabilities within a given series are strongly ligand dependent. Isomer shifts indicate that the reduction of 1 largely affects the Fe(3) subcluster and are consistent with the formal descriptions [MoFe(3+)(2)Fe(2+)S(4)](3+) (1) and [MoFe(3+)Fe(2+)(2)S(4)](2+) (5). Reaction of 1 with excess Li(2)S in acetonitrile affords the double cubane [[(Tp)MoFe(3)S(4)Cl(2)](2)(mu(2)(-)S)](2)(-), whose sulfide-bridged structure is supported by two sequential reductions separated by 290 mV, in analogy with previously reported double cubanes of higher charge. Trigonally symmetric single cubanes eliminate isomers in the formation of double cubanes and other cluster structures, and may be of considerable value in the preparation of new types of M-Fe-S clusters. (Tpms = tris(pyrazolyl)methanesulfonate(1-); Tp = hydrotris(pyrazolyl)borate(1-).)

cl-dash: rapid configuration and deployment of Hadoop clusters for bioinformatics research in the cloud.

PubMed

Hodor, Paul; Chawla, Amandeep; Clark, Andrew; Neal, Lauren

2016-01-15

: One of the solutions proposed for addressing the challenge of the overwhelming abundance of genomic sequence and other biological data is the use of the Hadoop computing framework. Appropriate tools are needed to set up computational environments that facilitate research of novel bioinformatics methodology using Hadoop. Here, we present cl-dash, a complete starter kit for setting up such an environment. Configuring and deploying new Hadoop clusters can be done in minutes. Use of Amazon Web Services ensures no initial investment and minimal operation costs. Two sample bioinformatics applications help the researcher understand and learn the principles of implementing an algorithm using the MapReduce programming pattern. Source code is available at https://bitbucket.org/booz-allen-sci-comp-team/cl-dash.git. hodor_paul@bah.com. © The Author 2015. Published by Oxford University Press.

An efficient formulation and implementation of the analytic energy gradient method to the single and double excitation coupled-cluster wave function - Application to Cl2O2

NASA Technical Reports Server (NTRS)

Rendell, Alistair P.; Lee, Timothy J.

1991-01-01

The analytic energy gradient for the single and double excitation coupled-cluster (CCSD) wave function has been reformulated and implemented in a new set of programs. The reformulated set of gradient equations have a smaller computational cost than any previously published. The iterative solution of the linear equations and the construction of the effective density matrices are fully vectorized, being based on matrix multiplications. The new method has been used to investigate the Cl2O2 molecule, which has recently been postulated as an important intermediate in the destruction of ozone in the stratosphere. In addition to reporting computational timings, the CCSD equilibrium geometries, harmonic vibrational frequencies, infrared intensities, and relative energetics of three isomers of Cl2O2 are presented.

cl-dash: rapid configuration and deployment of Hadoop clusters for bioinformatics research in the cloud

PubMed Central

Hodor, Paul; Chawla, Amandeep; Clark, Andrew; Neal, Lauren

2016-01-01

Summary: One of the solutions proposed for addressing the challenge of the overwhelming abundance of genomic sequence and other biological data is the use of the Hadoop computing framework. Appropriate tools are needed to set up computational environments that facilitate research of novel bioinformatics methodology using Hadoop. Here, we present cl-dash, a complete starter kit for setting up such an environment. Configuring and deploying new Hadoop clusters can be done in minutes. Use of Amazon Web Services ensures no initial investment and minimal operation costs. Two sample bioinformatics applications help the researcher understand and learn the principles of implementing an algorithm using the MapReduce programming pattern. Availability and implementation: Source code is available at https://bitbucket.org/booz-allen-sci-comp-team/cl-dash.git. Contact: hodor_paul@bah.com PMID:26428290

Multivariate statistical techniques for the evaluation of groundwater quality of Amaravathi River Basin: South India

NASA Astrophysics Data System (ADS)

Loganathan, K.; Ahamed, A. Jafar

2017-12-01

The study of groundwater in Amaravathi River basin of Karur District resulted in large geochemical data set. A total of 24 water samples were collected and analyzed for physico-chemical parameters, and the abundance of cation and anion concentrations was in the following order: Na+ > Ca2+ > Mg2+ > K+ = Cl- > HCO3 - > SO4 2-. Correlation matrix shows that the basic ionic chemistry is influenced by Na+, Ca2+, Mg2+, and Cl-, and also suggests that the samples contain Na+-Cl-, Ca2+-Cl- an,d mixed Ca2+-Mg2+-Cl- types of water. HCO3 -, SO4 2-, and F- association is less than that of other parameters due to poor or less available of bearing minerals. PCA extracted six components, which are accountable for the data composition explaining 81% of the total variance of the data set and allowed to set the selected parameters according to regular features as well as to evaluate the frequency of each group on the overall variation in water quality. Cluster analysis results show that groundwater quality does not vary extensively as a function of seasons, but shows two main clusters.

Mechanism of single metal exchange in the reactions of [M4(SPh)10]2- (M = Zn or Fe) with CoX2 (X = Cl or NO3) or FeCl2.

PubMed

Autissier, Valerie; Henderson, Richard A

2008-07-21

The kinetics of the reactions between [Zn4(SPh)10](2-) and an excess of MX2 (M = Co, X = NO3 or Cl; M = Fe, X = Cl), in which a Zn(II) is replaced by M(II), have been studied in MeCN at 25.0 degrees C. (1)H NMR spectroscopy shows that the ultimate product of the reactions is an equilibrium mixture of clusters of composition [Zn(n)M(4-n)(SPh)10](2-), and this is reflected in the multiphasic absorbance-time curves observed over protracted times (several minutes) using stopped-flow spectrophotometry to study the reactions. The kinetics of only the first phase have been determined, corresponding to the equilibrium formation of [Zn3M(SPh)10](2-). The effects of varying the concentrations of cluster, MX2, and ZnCl2 on the kinetics have been investigated. The rate law is consistent with the equilibrium nature of the metal exchange process and indicates a mechanism for the formation of [Zn3M(SPh)10](2-) involving two coupled equilibria. In the initial step binding of MX2 to a bridging thiolate in [Zn4(SPh)10](2-) results in breaking of a Zn-bridging thiolate bond. In the second step replacement of the cluster Zn involves transfer of the bridging thiolates from the Zn to M, with breaking of a Zn-bridged thiolate bond being rate-limiting. The kinetics for the reaction of ZnCl2 with [Zn3M(SPh)10](2-) (M = Fe or Co)} depends on the identity of M. This behavior indicates attack of ZnCl2 at a M-mu-SPh-Zn bridged thiolate. Similar studies on the analogous reactions between [Fe4(SPh)10](2-) and an excess of CoX2 (X = NO3 or Cl) in MeCN exhibit simpler kinetics but these are also consistent with the same mechanism.

Water quality analysis of the Rapur area, Andhra Pradesh, South India using multivariate techniques

NASA Astrophysics Data System (ADS)

Nagaraju, A.; Sreedhar, Y.; Thejaswi, A.; Sayadi, Mohammad Hossein

2017-10-01

The groundwater samples from Rapur area were collected from different sites to evaluate the major ion chemistry. The large number of data can lead to difficulties in the integration, interpretation, and representation of the results. Two multivariate statistical methods, hierarchical cluster analysis (HCA) and factor analysis (FA), were applied to evaluate their usefulness to classify and identify geochemical processes controlling groundwater geochemistry. Four statistically significant clusters were obtained from 30 sampling stations. This has resulted two important clusters viz., cluster 1 (pH, Si, CO3, Mg, SO4, Ca, K, HCO3, alkalinity, Na, Na + K, Cl, and hardness) and cluster 2 (EC and TDS) which are released to the study area from different sources. The application of different multivariate statistical techniques, such as principal component analysis (PCA), assists in the interpretation of complex data matrices for a better understanding of water quality of a study area. From PCA, it is clear that the first factor (factor 1), accounted for 36.2% of the total variance, was high positive loading in EC, Mg, Cl, TDS, and hardness. Based on the PCA scores, four significant cluster groups of sampling locations were detected on the basis of similarity of their water quality.

An Evaluation of a Self-Paced Approach to Elementary Chemistry Instruction.

ERIC Educational Resources Information Center

Schaumburg, Gary F.

The objectives of this study were: (1) to compare retention rates between self-paced (SP) and classical lecture (CL) chemistry students as measured by the proportion of students who received a withdrawal or unofficial withdrawal grade; (2) as indicated by the distribution of final grades, to compare student achievement between SP and CL students;…

Hydrogeochemistry and water quality of the Kordkandi-Duzduzan plain, NW Iran: application of multivariate statistical analysis and PoS index.

PubMed

Soltani, Shahla; Asghari Moghaddam, Asghar; Barzegar, Rahim; Kazemian, Naeimeh; Tziritis, Evangelos

2017-08-18

Kordkandi-Duzduzan plain is one of the fertile plains of East Azarbaijan Province, NW of Iran. Groundwater is an important resource for drinking and agricultural purposes due to the lack of surface water resources in the region. The main objectives of the present study are to identify the hydrogeochemical processes and the potential sources of major, minor, and trace metals and metalloids such as Cr, Mn, Cd, Fe, Al, and As by using joint hydrogeochemical techniques and multivariate statistical analysis and to evaluate groundwater quality deterioration with the use of PoS environmental index. To achieve these objectives, 23 groundwater samples were collected in September 2015. Piper diagram shows that the mixed Ca-Mg-Cl is the dominant groundwater type, and some of the samples have Ca-HCO 3 , Ca-Cl, and Na-Cl types. Multivariate statistical analyses indicate that weathering and dissolution of different rocks and minerals, e.g., silicates, gypsum, and halite, ion exchange, and agricultural activities influence the hydrogeochemistry of the study area. The cluster analysis divides the samples into two distinct clusters which are completely different in EC (and its dependent variables such as Na + , K + , Ca 2+ , Mg 2+ , SO 4 2- , and Cl - ), Cd, and Cr variables according to the ANOVA statistical test. Based on the median values, the concentrations of pH, NO 3 - , SiO 2 , and As in cluster 1 are elevated compared with those of cluster 2, while their maximum values occur in cluster 2. According to the PoS index, the dominant parameter that controls quality deterioration is As, with 60% of contribution. Samples of lowest PoS values are located in the southern and northern parts (recharge area) while samples of the highest values are located in the discharge area and the eastern part.

A Giant Radio Halo in a Low-Mass SZ-Selected Galaxy Cluster: ACT-CL J0256.5+0006

NASA Technical Reports Server (NTRS)

Knowles, K.; Intema, H. T.; Baker, A. J.; Bharadwaj, V.; Bond, J. R.; Cress, C.; Gupta, N.; Hajian, A.; Hilton, M.; Hincks, A. D.;

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

Vogel, E.A.F.

A series of new tetranuclear molybdenum(II) nitrile cluster derivatives is reported. Improvements in the synthetic routes to these and other derivatives is also reported. The single crystal x-ray structure of Mo/sub 4/Cl/sub 12//sup 4/minus// is modeled. New tetrameric nitrile derivatives with the stoichiometry Mo/sub 4/Cl/sub 8/(RCN)/sub 4/ (R = Pr/sup n/, Pr/sup i/, Bu/sup t/, PhCH/sub 2/) have been isolated by ligand exchange from Mo/sub 4/Cl/sub 8/(EtCN)/sub 4/ and/or direct synthesis from Mo/sub 4/Cl/sub 8/(PBu/sup n/sub 3//)/sub 4/. Mo/sub 4/Cl/sub 8/(Pr/sup n/CN)/sub 4/ was synthesized with higher yields and with simpler reaction conditions than Mo/sub 4/Cl/sub 8/(EtCN)/sub 4/. Improved syntheticmore » routes for R/sub 4/Mo/sub 4/Cl/sub 12/ (R = Et/sub 4/N, Pr/sub 4/N) have been developed. (Et/sub 4/N)/sub 4/Mo/sub 4/Cl/sub 12/ can be directly synthesized from the phosphine tetramer, circumventing the preparation of the reactive species-Mo/sub 4/Cl/sub 8/(EtCN)/sub 4/, which is the most difficult precursor to prepare. A change in reaction solvent, from dichloromethane or dichloroethane to chlorobenzene, in the preparation of (Pr/sub 4/N)/sub 4/Mo/sub 4/Cl/sub 12/ has permitted its isolation under less rigorous conditions and in high yield. A single crystal structure determination has been done on a sample of (Ph/sub 4/P)/sub 4/Mo/sub 4/Cl/sub 12/. Although, the quality of the data is poor, the structure of the Mo/sub 4/Cl/sub 12/ cluster core was refined. Four complex types have been found to fit the data. 22 refs., 12 figs., 7 tabs.« less

Understanding the physical processes driving galaxy evolution in clusters : a case study of two z~0.5 galaxy clusters

NASA Astrophysics Data System (ADS)

Moran, Sean M.

Clusters of galaxies represent the largest laboratories in the universe for testing the incredibly chaotic physics governing the collapse of baryons into the stars, galaxies, groups, and diffuse clouds that we see today. Within the cluster environment, there are a wide variety of physical processes that may be acting to transform galaxies.In this thesis, we combine extensive Keck spectroscopy with wide-field HST imaging to perform a detailed case study of two intermediate redshift galaxy clusters, Cl 0024+1654 (z=0.395) and MS 0451-03 (z=0.540). Leveraging a comprehensive multiwavelength data set that spans the X-ray to infrared, and with spectral-line measurements serving as the key to revealing both the recent star-formation histories and kinematics of infalling galaxies, we aim to shed light on the environmental processes that could be acting to transform galaxies in clusters.We adopt a strategy to make maximal use of our HST-based morphologies by splitting our sample of cluster galaxies according to morphological type, characterizing signs of recent evolution in spirals and early types separately. This approach proves to be powerful in identifying galaxies that are currently being altered by an environmental interaction: early-type galaxies that have either been newly transformed or prodded back into an active phase, and spiral galaxies where star formation is being suppressed or enhanced all stand out in our sample.We begin by using variations in the early-type galaxy population as indicators of recent activity. Because ellipticals and S0s form such a homogeneous class in the local universe, we are sensitive to even very subtle signatures of recent and current environmental interactions. This study has yielded two key results: By constructing the Fundamental Plane (FP) of Cl 0024, we observe that elliptical and S0 galaxies exhibit a high scatter in their FP residuals, which occurs only among galaxies in the cluster core, suggesting a turbulent assembly history for Cl 0024 early types. Near the Virial radius of Cl 0024, we observe a number of compact, intermediate-mass ellipticals undergoing a burst of star formation or weak AGN activity, indicated by strong [O II] emission; their locations may mark the minimum radius at which merging is effective in each cluster.While E+S0 galaxies do prove to be sensitive indicators of environmental interaction, it is the spiral galaxies that, of course, host the bulk of star formation within and around these clusters. We therefore probe for kinematic disturbances in spiral disks by measuring resolved rotation curves from optical emission lines, and constructing the Tully-Fisher relation for spirals across Cl 0024 and MS 0451. We find that the cluster Tully-Fisher relation exhibits significantly higher scatter than the field relation. In probing for the origin of this difference, we find that the central mass densities of star-forming spirals exhibit a sharp break near the cluster Virial radius, with spirals in the cluster outskirts exhibiting significantly lower densities. We argue that these results considered together demonstrate that cluster spirals are kinematically disturbed by their environment, likely due to galaxy-galaxy interactions (harassment).We then discuss our most powerful method of tracking galaxy evolution across Cl 0024 and MS 0451: identifying and studying "transition galaxies"-galaxies whose stellar populations or dynamical states indicate a recent or ongoing change in morphology or star formation rate. Such galaxies are often revealed by star formation histories that seem to be at odds with the galaxy morphologies: for example, spiral galaxies with no signs of star formation, or elliptical galaxies that do show signs of star formation.We identify and study one such class of objects, the "passive spirals" in Cl 0024. These objects exhibit no emission lines in their spectra, suggesting a lack of star formation, yet are surprisingly detected in the UV, revealing the presence of young stars. By modeling the different temporal sensitivities of UV and spectroscopic data to recent activity, we show that star formation in Cl 0024 passive spirals has decayed on timescales of less than 1 Gyr, consistent with the action of "gas starvation".We then build on and link together our previous indications of galaxy evolution at work, aiming to piece together a more comprehensive picture of how cluster galaxies are affected by their environment at intermediate redshift. To accomplish this, we document what we believe to be the first direct evidence for the transformation of spirals into S0s: through an analysis of their stellar populations and recent star formation rates, we link the passive spiral galaxies in both clusters to their eventual end states as newly generated cluster S0 galaxies. Differences between the two clusters in both the timescales and spatial location of this conversion process allow us to evaluate the relative importance of several proposed physical mechanisms that could be responsible for the transformation. Combined with other diagnostics that are sensitive to either ICM-driven galaxy evolution or galaxy-galaxy interactions, we describe a self-consistent picture of galaxy evolution in clusters.We find that spiral galaxies within infalling groups have already begun a slow process of conversion into S0s primarily via gentle galaxy-galaxy interactions that act to quench star formation. The fates of spirals upon reaching the core of the cluster depend heavily on the cluster ICM, with rapid conversion of all remaining spirals into S0s via ram-pressure stripping in clusters where the ICM is dense. In the presence of a less-dense ICM, the conversion continues at a slower pace, with galaxy-galaxy interactions continuing to play a role along with "starvation" by the ICM. We conclude that the buildup of the local S0 population through the transformation of spiral galaxies is a heterogeneous process that nevertheless proceeds robustly across a variety of different environments from cluster outskirts to cores.

The Hubble Space Telescope Medium Deep Survey Cluster Sample: Methodology and Data

NASA Astrophysics Data System (ADS)

Ostrander, E. J.; Nichol, R. C.; Ratnatunga, K. U.; Griffiths, R. E.

1998-12-01

We present a new, objectively selected, sample of galaxy overdensities detected in the Hubble Space Telescope Medium Deep Survey (MDS). These clusters/groups were found using an automated procedure that involved searching for statistically significant galaxy overdensities. The contrast of the clusters against the field galaxy population is increased when morphological data are used to search around bulge-dominated galaxies. In total, we present 92 overdensities above a probability threshold of 99.5%. We show, via extensive Monte Carlo simulations, that at least 60% of these overdensities are likely to be real clusters and groups and not random line-of-sight superpositions of galaxies. For each overdensity in the MDS cluster sample, we provide a richness and the average of the bulge-to-total ratio of galaxies within each system. This MDS cluster sample potentially contains some of the most distant clusters/groups ever detected, with about 25% of the overdensities having estimated redshifts z > ~0.9. We have made this sample publicly available to facilitate spectroscopic confirmation of these clusters and help more detailed studies of cluster and galaxy evolution. We also report the serendipitous discovery of a new cluster close on the sky to the rich optical cluster Cl l0016+16 at z = 0.546. This new overdensity, HST 001831+16208, may be coincident with both an X-ray source and a radio source. HST 001831+16208 is the third cluster/group discovered near to Cl 0016+16 and appears to strengthen the claims of Connolly et al. of superclustering at high redshift.

High-nuclearity mixed-valence clusters and mixed-valence chains: general approach to the calculation of the energy levels and bulk magnetic properties.

PubMed

Clemente-Juan, J M; Borrás-Almenar, J J; Coronado, E; Palii, A V; Tsukerblat, B S

2009-05-18

A general approach to the problem of electron delocalization in the high-nuclearity mixed-valence (MV) clusters containing an arbitrary number of localized spins and itinerant electrons is developed. Along with the double exchange, we consider the isotropic magnetic exchange between the localized electrons as well as the Coulomb intercenter repulsion. As distinguished from the previous approaches dealing with the MV systems in which itinerant electrons are delocalized over all constituent metal sites, here, we consider a more common case of systems exhibiting partial delocalization and containing several delocalized domains. Taking full advantage of the powerful angular momentum technique, we were able to derive closed form analytical expressions for the matrix elements of the full Hamiltonian. These expressions provide an efficient tool for treating complex mixed-valence systems, because they contain only products of 6j-symbols (that appear while treating the delocalized parts) and 9j-symbols (exchange interactions in localized parts) and do not contain high-order recoupling coefficients and 3j-symbols that essentially constrained all previous theories of mixed valency. The approach developed here is accompanied by an efficient computational procedure that allows us to calculate the bulk thermodynamic properties (magnetic susceptibility, magnetization, and magnetic specific heat) of high-nuclearity MV clusters. Finally, this approach has been used to discuss the magnetic properties of the octanuclear MV cluster [Fe(8)(mu(4)-O)(4)(4-Cl-pz)(12)Cl(4)](-) and the diphthalocyanine chains [YPc(2)].CH(2)Cl(2) and [ScPc(2)].CH(2)Cl(2) composed of MV dimers interacting through the magnetic exchange and Coulomb repulsion.

Genetic diversity of Leishmania donovani that causes cutaneous leishmaniasis in Sri Lanka: a cross sectional study with regional comparisons.

PubMed

Kariyawasam, Udeshika Lakmini; Selvapandiyan, Angamuthu; Rai, Keshav; Wani, Tasaduq Hussain; Ahuja, Kavita; Beg, Mizra Adil; Premathilake, Hasitha Upendra; Bhattarai, Narayan Raj; Siriwardena, Yamuna Deepani; Zhong, Daibin; Zhou, Guofa; Rijal, Suman; Nakhasi, Hira; Karunaweera, Nadira D

2017-12-22

Leishmania donovani is the etiological agent of visceral leishmaniasis (VL) in the Indian subcontinent. However, it is also known to cause cutaneous leishmaniasis (CL) in Sri Lanka. Sri Lankan L. donovani differs from other L. donovani strains, both at the molecular and biochemical level. To investigate the different species or strain-specific differences of L. donovani in Sri Lanka we evaluated sequence variation of the kinetoplastid DNA (kDNA). Parasites isolated from skin lesions of 34 CL patients and bone marrow aspirates from 4 VL patients were genotyped using the kDNA minicircle PCR analysis. A total of 301 minicircle sequences that included sequences from Sri Lanka, India, Nepal and six reference species of Leishmania were analyzed. Haplotype diversity of Sri Lankan isolates were high (H d  = 0.757) with strong inter-geographical genetic differentiation (F ST  > 0.25). In this study, L. donovani isolates clustered according to their geographic origin, while Sri Lankan isolates formed a separate cluster and were clearly distinct from other Leishmania species. Within the Sri Lankan group, there were three distinct sub-clusters formed, from CL patients who responded to standard antimony therapy, CL patients who responded poorly to antimony therapy and from VL patients. There was no specific clustering of sequences based on geographical origin within Sri Lanka. This study reveals high levels of haplotype diversity of L. donovani in Sri Lanka with a distinct genetic association with clinically relevant phenotypic characteristics. The use of genetic tools to identify clinically relevant features of Leishmania parasites has important therapeutic implications for leishmaniasis.

The Influences of Cognitive Styles on Individual Learning and Collaborative Learning

ERIC Educational Resources Information Center

Chen, Sherry Y.; Chang, Li-Ping

2016-01-01

Both individual learning (IL) and collaborative learning (CL) provide students with different benefits. However, previous research indicates that cognitive styles affect students' learning preferences. Thus, it is necessary to examine how cognitive styles influence students' reactions to IL and CL. Among various cognitive styles, Pask's…

UTa 2O(S 2) 3Cl 6: A ribbon structure containing a heterobimetallic 5 d-5 f M 3 cluster

NASA Astrophysics Data System (ADS)

Wells, Daniel M.; Chan, George H.; Ellis, Donald E.; Ibers, James A.

2010-02-01

A new solid-state compound containing a heterobimetallic cluster of U and Ta, UTa 2O(S 2) 3Cl 6, has been synthesized and its structure has been characterized by single-crystal X-ray diffraction methods. UTa 2O(S 2) 3Cl 6 was synthesized from UCl 4 and Ta 1.2S 2 at 883 K. The O is believed to have originated in the Ta 1.2S 2 reactant. The compound crystallizes in the space group P1¯ of the triclinic system. The structure comprises a UTa 2 unit bridged by μ 2-S 2 and μ 3-O groups. Each Ta atom bonds to two μ 2-S 2, the μ 3-O, and two terminal Cl atoms. Each U atom bonds to two μ 2-S 2, the μ 3-O, and four Cl atoms. The Cl atoms bridge in pairs to neighboring U atoms to form a ribbon structure. The bond distances are normal and are consistent with formal oxidation states of +IV/+V/-II/-I/-I for U/Ta/O/S/Cl, respectively. The optical absorbance spectrum displays characteristic transition peaks near the absorption edge. Density functional theory was used to assign these peaks to transitions between S 1- valence-band states and empty U 5 f-6 d hybrid bands. Density-of-states analysis shows overlap between Ta 5 d and U bands, consistent with metal-metal interactions.

Organometallic oxides: Preparation, structure, and chemical and physical properties of paramagnetic ((. eta. -C sub 5 H sub 5 )NbCl(. mu. -A)) sup 3 (. mu. sub 3 -OH)(. mu. sub 3 -O) (A = Cl, OH) and other oxo-hydroxo clusters of niobium

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

Bottomley, F.; Keizer, P.N.; White, P.S.

Hydrolysis of Cp{prime}NbCl{sub 4} (Cp{prime} = {eta}{sup 5}-C{sub 5}H{sub 5} (Cp), {eta}-C{sub 5}H{sub 4}Me (Cp{sup 1})) in tetrahydrofuran (THF) gave a mixture of products of general formula (Cp{prime}NbL{sub 4}){sub 2}({mu}-O), where L{sub 4} is a combination of H{sub 2}O and terminal or bridging Cl that gives eight-coordinate, pentavalent, niobium. For Cp{prime} = Cp, a major constituent of the mixture is (CpNb(H{sub 2}O)Cl{sub 3}){sub 2}({mu}-O) {times} 2THF {times} 0.05Et{sub 2}O (1), the structure of which was determined by X-ray diffraction. Reduction of (Cp{prime}NbL{sub 4}){sub 2}({mu}-O) with aluminum powder gave the cluster (Cp{prime}NbCl({mu}-Cl)){sub 3}({mu}{sub 3}-OH)({mu}{sub 3}-O) (2). The structure of 2 (Cp{prime}more » = Cp) as the THF adduct was determined by X-ray diffraction. Crystal data: monoclinic; P2{sub 1}/c; a = 9.966 (1) {angstrom}, b = 12.471 (2) {angstrom}, c = 20.321 (2) {angstrom}, {beta} = 93.86 (1){degree}.« less

Theoretical studies on Grignard reagent formation: radical mechanism versus non-radical mechanism.

PubMed

Chen, Zhe-Ning; Fu, Gang; Xu, Xin

2012-12-21

Here we present a systematic theoretical investigation on the mechanisms of Grignard reagent formation (GRF) for CH(3)Cl reacting with Mg atom, Mg(2) and a series of Mg clusters (Mg(4)-Mg(20)). Our calculations reveal that the ground state Mg atom is inactive under matrix condition, whereas it is active under metal vapor synthesis (MVS) conditions. On the other hand, the excited state Mg ((3)P) atom, as produced by laser-ablation, can react with CH(3)Cl barrierlessly, and hence is active under matrix condition. We predict that the bimagnesium Grignard reagent, though often proposed, can barely be observed experimentally, due to its high reactivity towards additional CH(3)Cl to produce more stable Grignard reagent dimer, and that the cluster Grignard reagent RMg(4)X possesses a flat Mg(4) unit rather than a tetrahedral geometry. Our calculations further reveal that the radical pathway (T4) is prevalent on Mg, Mg(2) and Mg(n) clusters of small size, while the no-radical pathway (T2), which starts at Mg(4), becomes competitive with T4 as the cluster size increases. A structure-reactivity relationship between barrier heights and ionization potentials of Mg(n) is established. These findings not only resolve controversy in experiment and theory, but also provide insights which can be used in the design of effective synthesis approaches for the preparation of chiral Grignard reagents.

Epigenetic remodeling and modification to preserve skeletogenesis in vivo.

PubMed

Godfrey, Tanner C; Wildman, Benjamin J; Javed, Amjad; Lengner, Christopher J; Hassan, Mohammad Quamarul

2018-12-01

Current studies offer little insight on how epigenetic remodeling of bone-specific chromatin maintains bone mass in vivo. Understanding this gap and precise mechanism is pivotal for future therapeutic innovation to prevent bone loss. Recently, we found that low bone mass is associated with decreased H3K27 acetylation (activating histone modification) of bone specific gene promoters. Here, we aim to elucidate the epigenetic mechanisms by which a miRNA cluster controls bone synthesis and homeostasis by regulating chromatin accessibility and H3K27 acetylation. In order to decipher the epigenetic axis that regulates osteogenesis, we studied a drug inducible anti-miR-23a cluster (miR-23a Cl ZIP ) knockdown mouse model. MiR-23a cluster knockdown (heterozygous) mice developed high bone mass. These mice displayed increased expression of Runx2 and Baf45a, essential factors for skeletogenesis; and decreased expression of Ezh2, a chromatin repressor indispensable for skeletogenesis. ChIP assays using miR-23a Cl knockdown calvarial cells revealed a BAF45A-EZH2 epigenetic antagonistic mechanism that maintains bone formation. Together, our findings support that the miR-23a Cl connection with tissue-specific RUNX2-BAF45A-EZH2 function is a novel molecular epigenetic axis through which a miRNA cluster orchestrates chromatin modification to elicit major effects on osteogenesis in vivo.

Ab initio study of the chlorine nitrate protonation reaction - Implications for loss of ClONO2 in the stratosphere

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Rice, Julia E.

1993-01-01

Ab initio quantum mechanical methods, including coupled-cluster theory, are used to determine the equilibrium geometries, dipole moments, and harmonic vibrational frequencies of ClONO2, NO2(+), and four isomers of protonated ClONO2. It was found that, for the equilibrium structures and harmonic frequencies of ClONO2, HOCl, and NO2(+), the highest-level theoretical predictions are consistent with the available experimental information concerning the reactions of ClONO2 and HOCl with HCl on the surface of polar stratospheric clouds (PSCs). The study supports a recent hypothesis that the reaction of ClONO2 on the surface of PSCs is proton catalyzed, although the mechanism is different.

Mining the National Career Assessment Examination Result Using Clustering Algorithm

NASA Astrophysics Data System (ADS)

Pagudpud, M. V.; Palaoag, T. T.; Padirayon, L. M.

2018-03-01

Education is an essential process today which elicits authorities to discover and establish innovative strategies for educational improvement. This study applied data mining using clustering technique for knowledge extraction from the National Career Assessment Examination (NCAE) result in the Division of Quirino. The NCAE is an examination given to all grade 9 students in the Philippines to assess their aptitudes in the different domains. Clustering the students is helpful in identifying students’ learning considerations. With the use of the RapidMiner tool, clustering algorithms such as Density-Based Spatial Clustering of Applications with Noise (DBSCAN), k-means, k-medoid, expectation maximization clustering, and support vector clustering algorithms were analyzed. The silhouette indexes of the said clustering algorithms were compared, and the result showed that the k-means algorithm with k = 3 and silhouette index equal to 0.196 is the most appropriate clustering algorithm to group the students. Three groups were formed having 477 students in the determined group (cluster 0), 310 proficient students (cluster 1) and 396 developing students (cluster 2). The data mining technique used in this study is essential in extracting useful information from the NCAE result to better understand the abilities of students which in turn is a good basis for adopting teaching strategies.

Effects of dilute aqueous NaCl solution on caffeine aggregation

NASA Astrophysics Data System (ADS)

Sharma, Bhanita; Paul, Sandip

2013-11-01

The effect of salt concentration on association properties of caffeine molecule was investigated by employing molecular dynamics simulations in isothermal-isobaric ensemble of eight caffeine molecules in pure water and three different salt (NaCl) concentrations, at 300 K temperature and 1 atm pressure. The concentration of caffeine was taken almost at the solubility limit. With increasing salt concentration, we observe enhancement of first peak height and appearance of a second peak in the caffeine-caffeine distribution function. Furthermore, our calculated solvent accessible area values and cluster structure analyses suggest formation of higher order caffeine cluster on addition of salt. The calculated hydrogen bond properties reveal that there is a modest decrease in the average number of water-caffeine hydrogen bonds on addition of NaCl salt. Also observed are: (i) decrease in probability of salt contact ion pair as well as decrease in the solvent separated ion pair formation with increasing salt concentration, (ii) a modest second shell collapse in the water structure, and (iii) dehydration of hydrophobic atomic sites of caffeine on addition of NaCl.

Electron-ion collision rates in noble gas clusters irradiated by femtosecond laser pulse

NASA Astrophysics Data System (ADS)

Dey, R.; Roy, A. C.

2012-05-01

We report a theoretical analysis of electron-ion collision rates in xenon gas clusters irradiated by femtosecond laser pulses. The present analysis is based on the eikonal approximation (EA), the first Born approximation (FBA) and the classical (CL) methods. The calculations are performed using the plasma-screened Rogers potential introduced by Moll et al. [J. Phys. B. 43, 135103 (2010)] as well as the Debye potential for a wide range of experimental parameters. We find that the magnitudes of electron-ion collision frequency obtained in the EA do not fall as rapidly with the kinetic energy of electrons as in the FBA and CL methods for higher charge states of xenon ion (Xe8+ and Xe14+). Furthermore, EA shows that the effect of the inner structure of ion is most dominant for the lowest charge state of xenon ion (Xe1+). In the case of the present effective potential, FBA overestimates the CL results for all three different charge states of xenon, whereas for the Debye potential, both the FBA and CL methods predict collision frequencies which are nearly close to each other.

Effects of dilute aqueous NaCl solution on caffeine aggregation

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

Sharma, Bhanita; Paul, Sandip, E-mail: sandipp@iitg.ernet.in

The effect of salt concentration on association properties of caffeine molecule was investigated by employing molecular dynamics simulations in isothermal-isobaric ensemble of eight caffeine molecules in pure water and three different salt (NaCl) concentrations, at 300 K temperature and 1 atm pressure. The concentration of caffeine was taken almost at the solubility limit. With increasing salt concentration, we observe enhancement of first peak height and appearance of a second peak in the caffeine-caffeine distribution function. Furthermore, our calculated solvent accessible area values and cluster structure analyses suggest formation of higher order caffeine cluster on addition of salt. The calculated hydrogenmore » bond properties reveal that there is a modest decrease in the average number of water-caffeine hydrogen bonds on addition of NaCl salt. Also observed are: (i) decrease in probability of salt contact ion pair as well as decrease in the solvent separated ion pair formation with increasing salt concentration, (ii) a modest second shell collapse in the water structure, and (iii) dehydration of hydrophobic atomic sites of caffeine on addition of NaCl.« less

Pressure distribution of the high-redshift cluster of galaxies CL J1226.9+3332 with NIKA

NASA Astrophysics Data System (ADS)

Adam, R.; Comis, B.; Macías-Pérez, J.-F.; Adane, A.; Ade, P.; André, P.; Beelen, A.; Belier, B.; Benoît, A.; Bideaud, A.; Billot, N.; Blanquer, G.; Bourrion, O.; Calvo, M.; Catalano, A.; Coiffard, G.; Cruciani, A.; D'Addabbo, A.; Désert, F.-X.; Doyle, S.; Goupy, J.; Kramer, C.; Leclercq, S.; Martino, J.; Mauskopf, P.; Mayet, F.; Monfardini, A.; Pajot, F.; Pascale, E.; Perotto, L.; Pointecouteau, E.; Ponthieu, N.; Revéret, V.; Ritacco, A.; Rodriguez, L.; Savini, G.; Schuster, K.; Sievers, A.; Tucker, C.; Zylka, R.

2015-04-01

The thermal Sunyaev-Zel'dovich (tSZ) effect is expected to provide a low scatter mass proxy for galaxy clusters since it is directly proportional to the cluster thermal energy. The tSZ observations have proven to be a powerful tool for detecting and studying them, but high angular resolution observations are now needed to push their investigation to a higher redshift. In this paper, we report high angular (<20 arcsec) resolution tSZ observations of the high-redshift cluster CL J1226.9+3332 (z = 0.89). It was imaged at 150 and 260 GHz using the NIKA camera at the IRAM 30-m telescope. The 150 GHz map shows that CL J1226.9+3332 is morphologically relaxed on large scales with evidence of a disturbed core, while the 260 GHz channel is used mostly to identify point source contamination. NIKA data are combined with those of Planck and X-ray from Chandra to infer the cluster's radial pressure, density, temperature, and entropy distributions. The total mass profile of the cluster is derived, and we find M500 = 5.96+1.02-0.79 × 1014M⊙ within the radius R500 = 930+50-43 kpc, at a 68% confidence level. (R500 is the radius within which the average density is 500 times the critical density at the cluster's redshift.) NIKA is the prototype camera of NIKA2, a KIDs (kinetic inductance detectors) based instrument to be installed at the end of 2015. This work is, therefore, part of a pilot study aiming at optimizing tSZ NIKA2 large programs. The FITS file of the published maps is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/576/A12

Study of baryon production mechanism in e+e- annihilation into hadrons

NASA Astrophysics Data System (ADS)

Topaz Collaboration; Aoki, M.; Itoh, R.; Watanabe, Y.; Kaneyuki, K.; Ohshima, Y.; Ochi, A.; Tanimori, T.; Abe, K.; Abe, T.; Adachi, I.; Adachi, K.; Aoki, M.; Emi, K.; Enomoto, R.; Fujii, H.; Fujii, T.; Fujii, K.; Fujimoto, J.; Fujiwara, N.; Hayashii, H.; Hirano, H.; Howell, B.; Ikeda, H.; Inoue, Y.; Itami, S.; Iwasaki, H.; Iwasaki, M.; Kajikawa, R.; Kato, S.; Kawabata, S.; Kichimi, H.; Kobayashi, M.; Koltick, D.; Levine, I.; Mamada, H.; Miyabayashi, K.; Miyamoto, A.; Nagai, K.; Nakabayashi, K.; Nakamura, M.; Nakano, E.; Nitoh, O.; Noguchi, S.; Ochiai, F.; Ohishi, N.; Ohnishi, Y.; Okuno, H.; Okusawa, T.; Shibata, E.; Sugiyama, A.; Suzuki, S.; Takahashi, K.; Takahashi, T.; Teramoto, Y.; Tauchi, T.; Tomoto, M.; Tsukamoto, T.; Tsumura, T.; Uno, S.; Yamamoto, A.; Yamauchi, M.

1998-11-01

The mechanism of baryon-anti-baryon pair production in e+e- annihilation into hadrons has been studied using the TOPAZ detector at the TRISTAN e+e- collider at an average center-of-mass energy of 58 GeV. The distributions of various p¯p correlations were compared with two prominent models: the cluster-fragmentation model and the string-fragmentation model. We rejected the cluster-fragmentation model at the 90% C.L. Furthermore, in the context of the string-fragmentation model, we favor the ``popcorn'' model, rejecting the ``diquark'' model, where a diquark is considered to be a fundamental entity, at the 95% C.L.

Vector dark energy and high-z massive clusters

NASA Astrophysics Data System (ADS)

Carlesi, Edoardo; Knebe, Alexander; Yepes, Gustavo; Gottlöber, Stefan; Jiménez, Jose Beltrán.; Maroto, Antonio L.

2011-12-01

The detection of extremely massive clusters at z > 1 such as SPT-CL J0546-5345, SPT-CL J2106-5844 and XMMU J2235.3-2557 has been considered by some authors as a challenge to the standard Λ cold dark matter cosmology. In fact, assuming Gaussian initial conditions, the theoretical expectation of detecting such objects is as low as ≤1 per cent. In this paper we discuss the probability of the existence of such objects in the light of the vector dark energy paradigm, showing by means of a series of N-body simulations that chances of detection are substantially enhanced in this non-standard framework.

Hetero-phase fluctuations in the pre-melting region in ionic crystals

NASA Astrophysics Data System (ADS)

Matsunaga, S.; Tamaki, S.

2008-06-01

The theory of the pre-melting phenomena in ionic crystals on the basis of the concept of the hetero phase fluctuation has been applied to KCl and AgCl crystal. The large scale molecular dynamics simulations (MD) in KCl and AgCl crystals are also performed to examine the ionic configuration in premelting region in the vicinity of their melting points. The size of the liquid like clusters are estimated by the theory and MD. The structural features of liquid like clusters are discussed by MD results using the Lindemann instability condition. The ionic conductivities in the pre-melting region are also discussed on the same theoretical basis.

Ab initio characterization of ClOOH - Implications for atmospheric chemistry

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Rendell, Alistair P.

1993-01-01

The equilibrium structure, dipole moment, harmonic vibrational frequencies, and infrared intensities of ClOOH are determined using the CCSD(T) (singles and doubles coupled-cluster theory plus a perturbational estimate of the effects of connected triple excitations) electronic structure method in conjunction with a TZ2P (triple xi plus double polarization) basis set. The heat of formation of CIOOH is determined (using two different isodesmic reactions) to be +1.5 +/- 1 kcal/mol at 0 K or +0.2 +/- 1 kcal/mol at 298.15 K. Using the computed heat of formation, we examined the stability of ClOOH with respect to the ClO + OH, ClOO + H, and HOO + Cl dissociation limits. Since ClOOH is found to be quite stable, it is argued that the chemistry of ClOOH should be included in any accurate modeling of the stratosphere.

A coupled-cluster study of photodetachment cross sections of closed-shell anions

NASA Astrophysics Data System (ADS)

Cukras, Janusz; Decleva, Piero; Coriani, Sonia

2014-11-01

We investigate the performance of Stieltjes Imaging applied to Lanczos pseudo-spectra generated at the coupled cluster singles and doubles, coupled cluster singles and approximate iterative doubles and coupled cluster singles levels of theory in modeling the photodetachment cross sections of the closed shell anions H-, Li-, Na-, F-, Cl-, and OH-. The accurate description of double excitations is found to play a much more important role than in the case of photoionization of neutral species.

A coupled-cluster study of photodetachment cross sections of closed-shell anions.

PubMed

Cukras, Janusz; Decleva, Piero; Coriani, Sonia

2014-11-07

We investigate the performance of Stieltjes Imaging applied to Lanczos pseudo-spectra generated at the coupled cluster singles and doubles, coupled cluster singles and approximate iterative doubles and coupled cluster singles levels of theory in modeling the photodetachment cross sections of the closed shell anions H(-), Li(-), Na(-), F(-), Cl(-), and OH(-). The accurate description of double excitations is found to play a much more important role than in the case of photoionization of neutral species.

An extensive ab initio study of the structures, vibrational spectra, quadratic force fields, and relative energetics of three isomers of Cl2O2

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Rohlfing, Celeste MCM.; Rice, Julia E.

1992-01-01

Quantum mechanical computational methods are employed for an ab initio investigation of: (1) the molecular properties of the lowest isomers of the ClO dimer; and (2) predicted molecular and thermochemical properties. Techniques employed include electron correlation and particularly singles and doubles coupled-cluster (CCSD) theory with or without perturbational estimates of the effects of connected triple excitations. The isomers ClOClO and ClClO2 are found to have higher energies than the ClOOCl isomer, and the theoretical vibrational frequencies of the isomers are well correlated with experimental data. Experimental values of the heat of formation for the isomers are also compared with calculations based on an isodesmic reaction with Cl2O, H2O, and HOOH.

Strategic Development for Middle School Students Struggling With Fractions: Assessment and Intervention.

PubMed

Zhang, Dake; Stecker, Pamela; Huckabee, Sloan; Miller, Rhonda

2016-09-01

Research has suggested that different strategies used when solving fraction problems are highly correlated with students' problem-solving accuracy. This study (a) utilized latent profile modeling to classify students into three different strategic developmental levels in solving fraction comparison problems and (b) accordingly provided differentiated strategic training for students starting from two different strategic developmental levels. In Study 1 we assessed 49 middle school students' performance on fraction comparison problems and categorized students into three clusters of strategic developmental clusters: a cross-multiplication cluster with the highest accuracy, a representation strategy cluster with medium accuracy, and a whole-number strategy cluster with the lowest accuracy. Based on the strategic developmental levels identified in Study 1, in Study 2 we selected three students from the whole-number strategy cluster and another three students from the representation strategy cluster and implemented a differentiated strategic training intervention within a multiple-baseline design. Results showed that both groups of students transitioned from less advanced to more advanced strategies and improved their problem-solving accuracy during the posttest, the maintenance test, and the generalization test. © Hammill Institute on Disabilities 2014.

Dehydration process in NaCl solutions under various external electric fields

NASA Astrophysics Data System (ADS)

Kadota, Kazunori; Shimosaka, Atsuko; Shirakawa, Yoshiyuki; Hidaka, Jusuke

2007-06-01

Ionic motions at solid-liquid interface in supersaturated NaCl solutions have been investigated by molecular dynamics (MD) simulation for understanding crystal growth processes. The density profile in the vicinity of the interfaces between NaCl(100) and the supersaturated NaCl solution was calculated. Diffusion coefficients of water molecules in the solution were estimated as a function of distance from the crystal interface. It turned out that the structure and dynamics of the solution in the interfaces was different from those of bulk solution owing to electric fields depending on the surface charge. Therefore, the electric field was applied to the supersaturated solutions and dehydration phenomenon occurring in the process of the crystal growth was discussed. As the electric field increased, it was observed that the Na+ keeping strongly hydration structure broke out by the electric force. In supersaturated concentration, the solution structure is significantly different from that of dilution and has a complicated structure with hydration ions and clusters of NaCl. If the electric fields were applied to the solutions, the breakout of hydration structure was not affected with increasing the supersaturated ratio. This reason is that the cluster structures are destroyed by the electric force. The situation depends on the electric field or crystal surface structure.

Dyons near the transition temperature in SU(3) lattice gluodynamics

NASA Astrophysics Data System (ADS)

Bornyakov, V. G.; Ilgenfritz, E.-M.; Martemyanov, B. V.

2018-05-01

We study the topological structure of SU(3) lattice gluodynamics by cluster analysis. This methodological study is meant as preparation for full QCD. The topological charge density is becoming visible in the process of over-improved gradient flow, which is monitored by means of the inverse participation ratio. The flow is stopped at the moment when calorons dissociate into dyons due to the over-improved character of the underlying action. This gives the possibility to simultaneously detect all three dyonic constituents of KvBLL calorons in the gluonic field. The behavior of the average Polyakov loop (PL) under (over-improved) gradient flow could also serve as a diagnostics for the actual phase the configuration is belonging to. Time-like Abelian monopole currents and specific patterns of the local PL are correlated with the topological clusters. The spectrum of reconstructed cluster charges Q cl corresponds to the phases. It is scattered around Q cl ≈ ±1/3 in the confined phase, whereas it is Q cl ≈ ±(0.5 ÷ 0.7) for heavy dyons and | {Q}{{cl}}| < 0.3 for light dyons in the deconfined phase. We estimate the density of heavy and light dyons at three values of temperature. We find that heavy dyons are increasingly suppressed with increasing temperature. The paper is dedicated to the memory of Michael Müller-Preussker who was a member of our research group for more than twenty years.

RELICS Discovery of a Probable Lens-magnified SN behind Galaxy Cluster Abell 1763

NASA Astrophysics Data System (ADS)

Rodney, S.; Coe, D.; Bradley, L.; Strolger, L.; Brammer, G.; Avila, R.; Ryan, R.; Ogaz, S.; Riess, A.; Sharon, K.; Johnson, T.; Paterno-Mahler, R.; Molino, A.; Graham, M.; Kelly, P.; Filippenko, A.; Frye, B.; Foley, R.; Schmidt, K.; Umetsu, K.; Czakon, N.; Weiner, B.; Stark, D.; Mainali, R.; Zitrin, A.; Sendra, I.; Graur, O.; Grillo, C.; Hjorth, J.; Selsing, J.; Christensen, L.; Rosati, P.; Nonino, M.; Balestra, I.; Vulcani, B.; McCully, C.; Dawson, W.; Bouwens, R.; Lam, D.; Trenti, M.; Nunez, D. Carrasco; Matheson, T.; Merten, J.; Jha, S.; Jones, C.; Andrade-Santos, F.; Salmon, B.; Bradac, M.; Hoag, A.; Huang, K.; Wang, X.; Oesch, P.

2016-07-01

We report the discovery of a likely supernova (SN) in the background field of the galaxy cluster Abell 1763 (a.k.a. RXC J1335.3+4059, ZwCl 1333.7+4117). The SN candidate was detected in Hubble Space Telescope (HST) observations collected on June 17, 2016 as part of the Reionization Lensing Cluster Survey (RELICS, HST program ID: 14096, PI: D.Coe).

Data Acquisition and Analysis for Camouflage Design

DTIC Science & Technology

1981-04-01

were clustered to produce a facsimile of the original scene in 39 49 or 5 average representative colors in CIELAB notation with spectral reflectance...result of the Euclidean clustering or averaging carried out in 1976 CIELAB color space. The size and shape of these domains, along with color, provide...Reflectance Calibration .... ...... 49 Figure O-i CIE 1976 (L*a*b*) Uniform Color Coordinate System (ClELAO) 53 Figure B-2 CIELAB Clustering

Synthesis of Two-Electron Bimetallic Cu-Ag and Cu-Au Clusters by using [Cu13 (S2 CNn Bu2 )6 (C≡CPh)4 ]+ as a Template.

PubMed

Silalahi, Rhone P Brocha; Chakrahari, Kiran Kumarvarma; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C W

2018-03-02

Atomically precise Cu-rich bimetallic superatom clusters have been synthesized by adopting a galvanic exchange strategy. [Cu@Cu 12 (S 2 CN n Bu 2 ) 6 (C≡CPh) 4 ][CuCl 2 ] (1) was used as a template to generate compositionally uniform clusters [M@Cu 12 (S 2 CN n Bu 2 ) 6 (C≡CPh) 4 ][CuCl 2 ], where M=Ag (2), Au (3). Structures of 1, 2 and 3 were determined by single crystal X-ray diffraction and the results were supported by ESI-MS. The anatomies of clusters 1-3 are very similar, with a centred cuboctahedral cationic core that is surrounded by six di-butyldithiocarbamate (dtc) and four phenylacetylide ligands. The doped Ag and Au atoms were found to preferentially occupy the centre of the 13-atom cuboctahedral core. Experimental and theoretical analyses of the synthesized clusters revealed that both Ag and Au doping result in significant changes in cluster stability, optical characteristics and enhancement in luminescence properties. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The nongravitational interactions of dark matter in colliding galaxy clusters.

PubMed

Harvey, David; Massey, Richard; Kitching, Thomas; Taylor, Andy; Tittley, Eric

2015-03-27

Collisions between galaxy clusters provide a test of the nongravitational forces acting on dark matter. Dark matter's lack of deceleration in the "bullet cluster" collision constrained its self-interaction cross section σ(DM)/m < 1.25 square centimeters per gram (cm(2)/g) [68% confidence limit (CL)] (σ(DM), self-interaction cross section; m, unit mass of dark matter) for long-ranged forces. Using the Chandra and Hubble Space Telescopes, we have now observed 72 collisions, including both major and minor mergers. Combining these measurements statistically, we detect the existence of dark mass at 7.6σ significance. The position of the dark mass has remained closely aligned within 5.8 ± 8.2 kiloparsecs of associated stars, implying a self-interaction cross section σ(DM)/m < 0.47 cm(2)/g (95% CL) and disfavoring some proposed extensions to the standard model. Copyright © 2015, American Association for the Advancement of Science.

Probing the Merger in ACT-CL J0256.5+0006: Understanding Low-Power Radio Halos

NASA Astrophysics Data System (ADS)

Sarazin, Craig

2017-09-01

ACT-CL J0256.5+0006 (J0256) is a moderate redshift (z=0.363) merging cluster. We recently detected a cluster giant radio halo which is one of the weakest known. Based on our ACT SZ detection and a very short XMM observation, J0256 has the weakest SZ and possibly the lowest mass ever observed for a radio halo. Our proposed Chandra observation will give J0256's dynamical merger state and an accurate mass. This may be an early stage merger, which challenges the theory that halos are produced by turbulent re-acceleration after the passage of merger shocks. We will search for shocks and cold fronts, and derive the merger speed. We will learn if this weak radio halo is due to an early-stage merger, a late merger, or a low cluster mass, useful for future low frequency radio surveys.

Long-term analysis of health status and preventive behavior in music students across an entire university program.

PubMed

Spahn, Claudia; Nusseck, Manfred; Zander, Mark

2014-03-01

The aim of this investigation was to analyze longitudinal data concerning physical and psychological health, playing-related problems, and preventive behavior among music students across their complete 4- to 5-year study period. In a longitudinal, observational study, we followed students during their university training and measured their psychological and physical health status and preventive behavior using standardized questionnaires at four different times. The data were in accordance with previous findings. They demonstrated three groups of health characteristics observed in beginners of music study: healthy students (cluster 1), students with preclinical symptoms (cluster 2), and students who are clinically symptomatic (cluster 3). In total, 64% of all students remained in the same cluster group during their whole university training. About 10% of the students showed considerable health problems and belonged to the third cluster group. The three clusters of health characteristics found in this longitudinal study with music students necessitate that prevention programs for musicians must be adapted to the target audience.

Star Formation in Massive Clusters via Bondi Accretion

NASA Astrophysics Data System (ADS)

Murray, Norman; Chang, Philip

2012-02-01

Essentially all stars form in giant molecular clouds (GMCs). However, inside GMCs, most of the gas does not participate in star formation; rather, denser gas accumulates in clumps in the GMC, with the bulk of the stars in a given GMC forming in a few of the most massive clumps. In the Milky Way, these clumps have masses M cl <~ 5 × 10-2 of the GMC, radii r cl ~ 1 pc, and free-fall times τcl ~ 2 × 105 yr. We show that clumps inside GMCs should accrete at a modified Bondi accretion rate, which depends on clump mass as \\dot{M}_{cl}\\sim M_{cl}^{5/4}. This rate is initially rather slow, usually slower than the initial star formation rate inside the clump (we adopt the common assumption that inside the clump, \\dot{M}_*=\\epsilon _ffM_{cl}/\\tau _{cl}, with epsilonff ≈ 0.017). However, after ~2 GMC free-fall times τGMC, the clump accretion rate accelerates rapidly; formally, the clump can accrete the entire GMC in ~3τGMC. At the same time, the star formation rate accelerates, tracking the Bondi accretion rate. If the GMC is disrupted by feedback from the largest clump, half the stars in that clump form in the final τGMC before the GMC is disrupted. The theory predicts that the distribution of effective star formation rates, measured per GMC free-fall time, is broad, ranging from ~0.001 up to 0.1 or larger and that the mass spectrum of star clusters is flatter than that of clumps, consistent with observations.

Discovery of an H I-rich Gas Reservoir in the Outskirts of SZ-effect-selected Clusters

NASA Astrophysics Data System (ADS)

Muzahid, Sowgat; Charlton, Jane; Nagai, Daisuke; Schaye, Joop; Srianand, Raghunathan

2017-09-01

We report on the detection of three strong H I absorbers originating in the outskirts (I.e., impact parameter, {ρ }{cl} ≈ (1.6-4.7)r 500) of three massive ({M}500˜ 3× {10}14 M ⊙) clusters of galaxies at redshift {z}{cl}≈ 0.46, in the Hubble Space Telescope Cosmic Origins Spectrograph (HST/COS) spectra of three background UV-bright quasars. These clusters were discovered by the 2500 deg2 South Pole Telescope Sunyaev-Zel’dovich (SZ) effect survey. All three COS spectra show a partial Lyman limit absorber with N(H I) > 1016.5 cm-2 near the photometric redshifts (| {{Δ }}z/(1+z)| ≈ 0.03) of the clusters. The compound probability of the random occurrence of all three absorbers is <0.02%, indicating that the absorbers are most likely related to the targeted clusters. We find that the outskirts of these SZ-selected clusters are remarkably rich in cool gas compared to existing observations of other clusters in the literature. The effective Doppler parameters of the Lyman series lines, obtained using a single-cloud curve-of-growth (COG) analysis, suggest a nonthermal/turbulent velocity of a few×10 km s-1 in the absorbing gas. We emphasize the need for uniform galaxy surveys around these fields and for more UV observations of quasar-cluster pairs in general in order to improve the statistics and gain further insights into the unexplored territory of the largest collapsed cosmic structures.

Time-resolved in situ XAS study of the preparation of supported gold clusters.

PubMed

Bus, Eveline; Prins, Roel; van Bokhoven, Jeroen A

2007-07-07

Incipient-wetness impregnation of gamma-Al(2)O(3) with HAuCl(4) and subsequent removal of chlorine with NaOH, and deposition-precipitation of HAuCl(4) on TiO(2) at pH 7 resulted in supported Au(3+) species. Time-resolved in situ XAS at the Au L(3) edge showed that the Al(2)O(3)-supported oxidic or hydroxidic species were reduced in hydrogen at 440 K to yield small metallic gold clusters. The Au(3+) precursor decomposed to metallic gold in inert atmosphere at 573 K and in oxidizing atmosphere above 623 K. In all atmospheres, initially small clusters were formed that gradually grew with increasing temperature. The TiO(2)-supported species were considerably less stable. In hydrogen and carbon monoxide, Au(0) clusters of 1 to 1.5 nm were formed at room temperature, which was the lowest temperature studied. In inert and oxidizing atmosphere, the Au(3+) precursor decomposed fully to metallic gold at 530 K, as shown by XAS and temperature-programmed experiments. Large clusters were obtained already in the initial stage of reduction. Residual chlorine inhibited the reduction and led to sintering of the gold clusters. Exposure of the TiO(2)-supported catalyst precursor to light or the X-ray beam led to partial reduction, and STEM showed that storage of the reduced gold clusters under ambient conditions led to agglomeration and bimodal cluster-size distributions.

1,2,3-triazolate-bridged tetradecametallic transition metal clusters [M14(L)6O6(OMe)18X6] (M=FeIII, CrIII and VIII/IV) and related compounds: ground-state spins ranging from S=0 to S=25 and spin-enhanced magnetocaloric effect.

PubMed

Shaw, Rachel; Laye, Rebecca H; Jones, Leigh F; Low, David M; Talbot-Eeckelaers, Caytie; Wei, Qiang; Milios, Constantinos J; Teat, Simon; Helliwell, Madeleine; Raftery, James; Evangelisti, Marco; Affronte, Marco; Collison, David; Brechin, Euan K; McInnes, Eric J L

2007-06-11

We report the synthesis, by solvothermal methods, of the tetradecametallic cluster complexes [M14(L)6O6(OMe)18Cl6] (M=FeIII, CrIII) and [V14(L)6O6(OMe)18Cl6-xOx] (L=anion of 1,2,3-triazole or derivative). Crystal structure data are reported for the {M14} complexes [Fe14(C2H2N3)6O6(OMe)18Cl6], [Cr14(bta)6O6(OMe)18Cl6] (btaH=benzotriazole), [V14O6(Me2bta)6(OMe)18Cl6-xOx] [Me2btaH=5,6-Me2-benzotriazole; eight metal sites are VIII, the remainder are disordered between {VIII-Cl}2+ and {VIV=O}2+] and for the distorted [FeIII14O9(OH)(OMe)8(bta)7(MeOH)5(H2O)Cl8] structure that results from non-solvothermal synthetic methods, highlighting the importance of temperature regime in cluster synthesis. Magnetic studies reveal the {Fe14} complexes to have ground state electronic spins of S

Achieving effective learning effects in the blended course: a combined approach of online self-regulated learning and collaborative learning with initiation.

PubMed

Tsai, Chia-Wen

2011-09-01

In many countries, undergraduates are required to take at least one introductory computer course to enhance their computer literacy and computing skills. However, the application software education in Taiwan can hardly be deemed as effective in developing students' practical computing skills. The author applied online self-regulated learning (SRL) and collaborative learning (CL) with initiation in a blended computing course and examined the effects of different combinations on enhancing students' computing skills. Four classes, comprising 221 students, participated in this study. The online SRL and CL with initiation (G1, n = 53), online CL with initiation (G2, n = 68), and online CL without initiation (G3, n = 68) were experimental groups, and the last class, receiving traditional lecture (G4, n = 32), was the control group. The results of this study show that students who received the intervention of online SRL and CL with initiation attained significantly best grades for practical computing skills, whereas those that received the traditional lectures had statistically poorest grades among the four classes. The implications for schools and educators who plan to provide online or blended learning for their students, particularly in computing courses, are also provided in this study.

Identification of 4CL Genes in Desert Poplars and Their Changes in Expression in Response to Salt Stress.

PubMed

Zhang, Cai-Hua; Ma, Tao; Luo, Wen-Chun; Xu, Jian-Mei; Liu, Jian-Quan; Wan, Dong-Shi

2015-09-18

4-Coumarate:CoA ligase (4CL) genes are critical for the biosynthesis of plant phenylpropanoids. Here we identified 20 4CL genes in the genomes of two desert poplars (Populus euphratica and P. pruinosa) and salt-sensitive congener (P. trichocarpa), but 12 in Salix suchowensis (Salix willow). Phylogenetic analyses clustered all Salicaceae 4CL genes into two clades, and one of them (corresponding to the 4CL-like clade from Arabidopsis) showed signals of adaptive evolution, with more genes retained in Populus than Salix and Arabidopsis. We also found that 4CL12 (in 4CL-like clade) showed positive selection along the two desert poplar lineages. Transcriptional profiling analyses indicated that the expression of 4CL2, 4CL11, and 4CL12 changed significantly in one or both desert poplars in response to salt stress compared to that of in P. trichocarpa. Our results suggest that the evolution of the 4CL genes may have contributed to the development of salt tolerance in the two desert poplars.

A Giant Radio Halo in a Low-Mass Sz-selected Galaxy Cluster: ACT-CLJ0256.5+0006

NASA Technical Reports Server (NTRS)

Knowles, Kendra; Intema, H. T.; Baker, A. J.; Bharadwaj, V.; Bond, J. R.; Cress, C.; Gupta, N.; Hajian, A.; Hilton, M.; Hincks, A. D.;

Design a New Strategy Based on Nanoparticle-Enhanced Chemiluminescence Sensor Array for Biothiols Discrimination

NASA Astrophysics Data System (ADS)

Shahrajabian, Maryam; Hormozi-Nezhad, M. Reza

2016-08-01

Array-based sensor is an interesting approach that suggests an alternative to expensive analytical methods. In this work, we introduce a novel, simple, and sensitive nanoparticle-based chemiluminescence (CL) sensor array for discrimination of biothiols (e.g., cysteine, glutathione and glutathione disulfide). The proposed CL sensor array is based on the CL efficiencies of four types of enhanced nanoparticle-based CL systems. The intensity of CL was altered to varying degrees upon interaction with biothiols, producing unique CL response patterns. These distinct CL response patterns were collected as “fingerprints” and were then identified through chemometric methods, including linear discriminant analysis (LDA) and hierarchical cluster analysis (HCA). The developed array was able to successfully differentiate between cysteine, glutathione and glutathione disulfide in a wide concentration range. Moreover, it was applied to distinguish among the above analytes in human plasma.

The Tolman Surface Brightness Test for the Reality of the Expansion. III. Hubble Space Telescope Profile and Surface Brightness Data for Early-Type Galaxies in Three High-Redshift Clusters

NASA Astrophysics Data System (ADS)

Lubin, Lori M.; Sandage, Allan

2001-09-01

Photometric data for 34 early-type galaxies in the three high-redshift clusters Cl 1324+3011 (z=0.76), Cl 1604+4304 (z=0.90), and Cl 1604+4321 (z=0.92), observed with the Hubble Space Telescope (HST) and with the Keck 10 m telescopes by Oke, Postman, & Lubin, are analyzed to obtain the photometric parameters of mean surface brightness, magnitudes for the growth curves, and angular radii at various Petrosian η radii. The angular radii at η=1.3 mag for the program galaxies are all larger than 0.24". All the galaxies are well resolved at this angular size using HST, whose point-spread function is 0.05", half-width at half-maximum. The data for each of the program galaxies are listed at η=1.0, 1.3, 1.5, 1.7, and 2.0 mag. They are corrected by color equations and K-terms for the effects of redshift to the rest-frame Cape/Cousins I for Cl 1324+3011 and Cl 1604+4304 and R for Cl 1604+4321. The K-corrections are calculated from synthetic spectral energy distributions derived from evolving stellar population models of Bruzual & Charlot, that have been fitted to the observed broadband (BVRI) AB magnitudes of each program galaxy. The listed photometric data are independent of all cosmological parameters. They are the source data for the Tolman surface brightness test made in Paper IV.

Clustering Genes of Common Evolutionary History

PubMed Central

Gori, Kevin; Suchan, Tomasz; Alvarez, Nadir; Goldman, Nick; Dessimoz, Christophe

2016-01-01

Phylogenetic inference can potentially result in a more accurate tree using data from multiple loci. However, if the loci are incongruent—due to events such as incomplete lineage sorting or horizontal gene transfer—it can be misleading to infer a single tree. To address this, many previous contributions have taken a mechanistic approach, by modeling specific processes. Alternatively, one can cluster loci without assuming how these incongruencies might arise. Such “process-agnostic” approaches typically infer a tree for each locus and cluster these. There are, however, many possible combinations of tree distance and clustering methods; their comparative performance in the context of tree incongruence is largely unknown. Furthermore, because standard model selection criteria such as AIC cannot be applied to problems with a variable number of topologies, the issue of inferring the optimal number of clusters is poorly understood. Here, we perform a large-scale simulation study of phylogenetic distances and clustering methods to infer loci of common evolutionary history. We observe that the best-performing combinations are distances accounting for branch lengths followed by spectral clustering or Ward’s method. We also introduce two statistical tests to infer the optimal number of clusters and show that they strongly outperform the silhouette criterion, a general-purpose heuristic. We illustrate the usefulness of the approach by 1) identifying errors in a previous phylogenetic analysis of yeast species and 2) identifying topological incongruence among newly sequenced loci of the globeflower fly genus Chiastocheta. We release treeCl, a new program to cluster genes of common evolutionary history (http://git.io/treeCl). PMID:26893301

AMI-CL J0300+2613: a Galactic anomalous-microwave-emission ring masquerading as a galaxy cluster

NASA Astrophysics Data System (ADS)

Perrott, Yvette C.; Cantwell, Therese M.; Carey, Steve H.; Elwood, Patrick J.; Feroz, Farhan; Grainge, Keith J. B.; Green, David A.; Hobson, Michael P.; Javid, Kamran; Jin, Terry Z.; Pooley, Guy G.; Razavi-Ghods, Nima; Rumsey, Clare; Saunders, Richard D. E.; Scaife, Anna M. M.; Schammel, Michel P.; Scott, Paul F.; Shimwell, Timothy W.; Titterington, David J.; Waldram, Elizabeth M.

2018-01-01

The Arcminute Microkelvin Imager (AMI) carried out a blind survey for galaxy clusters via their Sunyaev-Zel'dovich effect decrements between 2008 and 2011. The first detection, known as AMI-CL J0300+2613, has been reobserved with AMI equipped with a new digital correlator with high dynamic range. The combination of the new AMI data and more recent high-resolution sub-mm and infrared maps now shows the feature in fact to be a ring of positive dust-correlated Galactic emission, which is likely to be anomalous microwave emission (AME). If so, this is the first completely blind detection of AME at arcminute scales.

Premelting phenomena in pseudo-binary ionic crystals

NASA Astrophysics Data System (ADS)

Matsunaga, Shigeki

2010-04-01

The theory of the premelting phenomena in ionic crystals on the basis of the concept of the heterophase fluctuation has been applied to the pseudo-binary ionic crystals, KCl-NaCl, AgBr-AgCl and AgBr-CuBr systems. Molecular dynamics simulations (MD) have been performed to examine the ionic configurations in their premelting region in the vicinity of their melting points. Liquid-like clusters have been observed in the results of MD utilizing the Lindemann instability condition. The sizes of liquid-like clusters have been estimated by theory and MD. The characteristics of the dynamical behavior of ions in the premelting region have been examined by the mean square displacement and the velocity correlation functions.

Supersonic Beam Observations of Semiconductor Clusters.

DTIC Science & Technology

1987-08-31

laser vaporization C 6 0 molecule, soccerball structure contains cenLrai cavity 20, ASIT"RACT’ (Contms an .evse &I if rvcwumV sodIdwnttY by block...Brucat, S. Yang, C.L. Pettiette, M.J. Craycraft, and R.E. Smalley, Proc. of the International Symposium on the Physics and Chemistry of Small Clusters

Lattice and Valence Electronic Structures of Crystalline Octahedral Molybdenum Halide Clusters-Based Compounds, Cs2[Mo6X14] (X = Cl, Br, I), Studied by Density Functional Theory Calculations.

PubMed

Saito, Norio; Cordier, Stéphane; Lemoine, Pierric; Ohsawa, Takeo; Wada, Yoshiki; Grasset, Fabien; Cross, Jeffrey S; Ohashi, Naoki

2017-06-05

The electronic and crystal structures of Cs 2 [Mo 6 X 14 ] (X = Cl, Br, I) cluster-based compounds were investigated by density functional theory (DFT) simulations and experimental methods such as powder X-ray diffraction, ultraviolet-visible spectroscopy, and X-ray photoemission spectroscopy (XPS). The experimentally determined lattice parameters were in good agreement with theoretically optimized ones, indicating the usefulness of DFT calculations for the structural investigation of these clusters. The calculated band gaps of these compounds reproduced those experimentally determined by UV-vis reflectance within an error of a few tenths of an eV. Core-level XPS and effective charge analyses indicated bonding states of the halogens changed according to their sites. The XPS valence spectra were fairly well reproduced by simulations based on the projected electron density of states weighted with cross sections of Al K α , suggesting that DFT calculations can predict the electronic properties of metal-cluster-based crystals with good accuracy.

Incorporation of μ3-CO3 into an MnIII/MnIV Mn12 cluster: {[(cyclam)MnIV(μ-O)2MnIII(H2O)(μ-OH)]6(μ3-CO3)2}Cl8·24H2O

PubMed Central

Levaton, Ben B.; Olmstead, Marilyn M.

2010-01-01

The centrosymmetric title cluster, hexa­aquadi-μ3-carbonato-hexa­cyclamhexa-μ2-hydroxido-dodeca-μ2-oxido-hexa­mang­an­ese(IV)hexa­manganese(III) octa­chloride tetra­cosa­hydrate, [Mn12(CO3)2O12(OH)6(C10H24N4)6(H2O)6]Cl8·24H2O, has two μ3-CO3 groups that not only bridge octahedrally coordinated MnIII ions but also act as acceptors to two different kinds of hydrogen bonds. The carbonate anion is planar within experimental error and has an average C—O distance of 1.294 (4) Å. The crystal packing is stabilized by O—H⋯Cl, O—H⋯O, N—H⋯Cl and N—H⋯O hydrogen bonds. Two of the four independent chloride ions are disordered over five positions, and eight of the 12 independent water mol­ecules are disordered over 21 positions. PMID:21587382

Molecular dynamics simulations of diffusion and clustering along critical isotherms of medium-chain n-alkanes.

PubMed

Mutoru, J W; Smith, W; O'Hern, C S; Firoozabadi, A

2013-01-14

Understanding the transport properties of molecular fluids in the critical region is important for a number of industrial and natural systems. In the literature, there are conflicting reports on the behavior of the self diffusion coefficient D(s) in the critical region of single-component molecular systems. For example, D(s) could decrease to zero, reach a maximum, or remain unchanged and finite at the critical point. Moreover, there is no molecular-scale understanding of the behavior of diffusion coefficients in molecular fluids in the critical regime. We perform extensive molecular dynamics simulations in the critical region of single-component fluids composed of medium-chain n-alkanes-n-pentane, n-decane, and n-dodecane-that interact via anisotropic united-atom potentials. For each system, we calculate D(s), and average molecular cluster sizes κ(cl) and numbers N(cl) at various cluster lifetimes τ, as a function of density ρ in the range 0.2ρ(c) ≤ ρ ≤ 2.0ρ(c) at the critical temperature T(c). We find that D(s) decreases with increasing ρ but remains finite at the critical point. Moreover, for any given τ < 1.2 × 10(-12) s, κ(cl) increases with increasing ρ but is also finite at the critical point.

The Use of Cluster Analysis in Typological Research on Community College Students

ERIC Educational Resources Information Center

Bahr, Peter Riley; Bielby, Rob; House, Emily

2011-01-01

One useful and increasingly popular method of classifying students is known commonly as cluster analysis. The variety of techniques that comprise the cluster analytic family are intended to sort observations (for example, students) within a data set into subsets (clusters) that share similar characteristics and differ in meaningful ways from other…

Chandra observations of dying radio sources in galaxy clusters

NASA Astrophysics Data System (ADS)

Murgia, M.; Markevitch, M.; Govoni, F.; Parma, P.; Fanti, R.; de Ruiter, H. R.; Mack, K.-H.

2012-12-01

Context. The dying radio sources represent a very interesting and largely unexplored stage of the active galactic nucleus (AGN) evolution. They are considered to be very rare, and almost all of the few known ones were found in galaxy clusters. However, considering the small number detected so far, it has not been possible to draw any firm conclusions about their X-ray environment. Aims: We present X-ray observations performed with the Chandra satellite of the three galaxy clusters Abell 2276, ZwCl 1829.3+6912, and RX J1852.1+5711, which harbor at their center a dying radio source with an ultra-steep spectrum that we recently discovered. Methods: We analyzed the physical properties of the X-ray emitting gas surrounding these elusive radio sources. We determined the global X-ray properties of the clusters, derived the azimuthally averaged profiles of metal abundance, gas temperature, density, and pressure. Furthermore, we estimated the total mass profiles. Results: The large-scale X-ray emission is regular and spherical, suggesting a relaxed state for these systems. Indeed, we found that the three clusters are also characterized by significant enhancements in the metal abundance and declining temperature profiles toward the central region. For all these reasons, we classified RX J1852.1+5711, Abell 2276, and ZwCl 1829.3+6912 as cool-core galaxy clusters. Conclusions: We calculated the non-thermal pressure of the radio lobes assuming that the radio sources are in the minimum energy condition. For all dying sources we found that this is on average about one to two orders of magnitude lower than that of the external gas, as found for many other radio sources at the center of galaxy groups and clusters. We found marginal evidence for the presence of X-ray surface brightness depressions coincident with the fossil radio lobes of the dying sources in A2276 and ZwCl 1829.3+691. We estimated the outburst age and energy output for these two dying sources. The energy power from the AGN outburst is significantly higher than the X-ray luminosity in both clusters. Indeed, it is sufficient that a small fraction of this power is dissipated in the intra-cluster medium to reheat the cool cores. Appendix is available in electronic form at http://www.aanda.org

Chandra Observations of Dying Radio Sources in Galaxy Clusters

NASA Technical Reports Server (NTRS)

Murgia, M.; Markevitch, M.; Govoni, F.; Parma, P.; Fanti, R.; de Ruiter, H. R.; Mack, K.-H.

2012-01-01

Context. The dying radio sources represent a very interesting and largely unexplored stage of the active galactic nucleus (AGN) evolution. They are considered to be very rare, and almost all of the few known ones were found in galaxy clusters. However, considering the small number detected so far, it has not been possible to draw any firm conclusions about their X-ray environment. Aims. We present X-ray observations performed with the Chandra satellite of the three galaxy clusters Abell 2276, ZwCl 1829.3+6912, and RX J1852.1+5711, which harbor at their center a dying radio source with an ultra-steep spectrum that we recently discovered. Methods. We analyzed the physical properties of the X-ray emitting gas surrounding these elusive radio sources. We determined the global X-ray properties of the clusters, derived the azimuthally averaged profiles of metal abundance, gas temperature, density, and pressure. Furthermore, we estimated the total mass profiles. Results. The large-scale X-ray emission is regular and spherical, suggesting a relaxed state for these systems. Indeed, we found that the three clusters are also characterized by significant enhancements in the metal abundance and declining temperature profiles toward the central region. For all these reasons, we classified RX J1852.1+5711, Abell 2276, and ZwCl 1829.3+6912 as cool-core galaxy clusters. Conclusions. We calculated the non-thermal pressure of the radio lobes assuming that the radio sources are in the minimum energy condition. For all dying sources we found that this is on average about one to two orders of magnitude lower than that of the external gas, as found for many other radio sources at the center of galaxy groups and clusters. We found marginal evidence for the presence of X-ray surface brightness depressions coincident with the fossil radio lobes of the dying sources in A2276 and ZwCl 1829.3+691. We estimated the outburst age and energy output for these two dying sources. The energy power from the AGN outburst is significantly higher than the X-ray luminosity in both clusters. Indeed, it is sufficient that a small fraction of this power is dissipated in the intra-cluster medium to reheat the cool cores.

Is there a potential consumer market for low-sodium fermented sausages?

PubMed

Dos Santos, Bibiana A; Campagnol, Paulo C B; da Cruz, Adriano G; Morgano, Marcelo A; Wagner, Roger; Pollonio, Marise A R

2015-05-01

The NaCl levels in dry fermented sausages were reduced by 50% or were substituted with KCl, CaCl2 , or a blend of KCl and CaCl2 (1:1). The quality, safety, and the potential consumer market of dry fermented sausages were assessed. Neither 50% reduction of the NaCl content nor the substitution of 50% of the NaCl with KCl influenced the fermentation and maturation process. However, when CaCl2 was used as the substitute salt (50%), there was a significant decrease in pH, an increase in the water activity, and a decrease in lactic acid and micrococcus bacterial counts. Overall, the sensory acceptance decreased in dry fermented sausages with reduced sodium content. However, cluster analysis and internal preference mapping revealed potential for commercialization of samples with 50% of the NaCl content substituted with KCl or with a mixture of KCl and CaCl2 (1:1). © 2015 Institute of Food Technologists®

Disinfection efficiency of chlorine dioxide gas in student cafeterias in Taiwan.

PubMed

Hsu, Ching-Shan; Huang, Da-Ji

2013-07-01

In Taiwan, the food and drink requirements of students and faculty members are met by student cafeterias. The air quality within these cafeterias should satisfy the guidelines laid down by the Taiwan Environmental Protection Agency (Taiwan EPA). Accordingly, this study performed an experimental investigation into the efficiency of two different gaseous chlorine dioxide (ClO2) treatments in disinfecting a local student cafeteria, namely a single, one-off application and a twice-daily application. In both cases, the ClO2 was applied using strategically placed aerosol devices. The air quality before and after disinfection was evaluated by measuring the bioaerosol levels of bacteria and fungi. Moreover, a stepwise discriminant analysis method was applied for predicting the residual concentrations of bacteria and fungi, as a function of the environmental parameters and the ClO2 concentration. The experimental results showed that the average background levels of bacteria and fungi prior to ClO2 disinfection were 972.5 +/- 623.6 and 1534.1 +/- 631.8 colony-forming units (CFU)/m3, respectively. A single ClO2 application was found to reduce the bacterial and fungal concentration levels by as much as 65% and 30%, respectively. By contrast, a twice-daily ClO2 application was found to reduce the bacterial and fungal concentration levels by as much as 74% and 38%, respectively. The statistical analysis results showed that the residual bacterial concentration level was determined primarily by the number of individuals present in the cafeteria, the temperature, and the ClO2 concentration, whereas the residual fungal concentration level was determined mainly by the temperature, the total number of suspended particles, and the ClO2 concentration. Thus, the integrated results suggest that the air quality guidelines prescribed by the Taiwan EPA for student cafeteria can best be achieved by applying ClO2 twice daily using an appropriate deployment of aerosol devices. ClO2 gas can destroy all manner of microorganisms, including bacteria, spores, fungi, viruses, and even protozoans, in indoor environments. Moreover, it is popularly known that bioaerosols are able to grow and propagate on a wide variety of building materials and indoor surfaces. Thus, through optimal ClO2 disinfection methodology, the indoor microbial contaminants can be decreased and the residual concentrations of bacteria and fungi as a function of the environmental parameters and the ClO2 concentration can be predicted via some statistical techniques.

Implications of hydrogen/halogen-bond in the stabilization of confined water and anion-water clusters by a cationic receptor

NASA Astrophysics Data System (ADS)

Hoque, Md. Najbul; Das, Gopal

2016-03-01

Anion complexation of benzene capped flexible tripodal receptor and solid state stabilization of discrete hybrid anion-water or infinite water clusters by various supramolecular interactions are reported here. The crystal structure of the receptor in protonated states shows all the three arms projected in one direction. We structurally demonstrate discrete fluoride-water cluster [F2-H2O]2- and square shaped chloride-water cluster [Cl2-(H2O)2]2- inside the cationic channel of the receptor. Structural analysis also reveals that these clusters are stabilized inside the channel through active participation of N/C/Ow‧H⋯Ow, N/C/Ow‧H⋯X- (X- = F-, Cl- and I-) H-bonds and electrostatic interactions. Moreover, C-H⋯π and π⋯π types weak intermolecular interactions appear to play crucial role in supramolecular assembly of receptor. Additionally, on treatment with hydroiodic acid (HI) L resulted zwitterionic iodide complex. Crystal structure reveals the presence of S···I halogen bonded dimer, I2···I halogen bond, 1D infinite water chain and neutral iodine molecules. It is comprehensible that ligand basal structure (benzene capped and N-bridge head in two tripodal) play crucial roles in the formation of diverse halide-water cluster. All structures were well examined by different techniques such as NMR, IR, TGA, DSC, PXRD and XRD.

Self-assembly of high-nuclearity lanthanide-based nanoclusters for potential bioimaging applications

NASA Astrophysics Data System (ADS)

Yang, Xiaoping; Wang, Shiqing; Schipper, Desmond; Zhang, Lijie; Li, Zongping; Huang, Shaoming; Yuan, Daqiang; Chen, Zhongning; Gnanam, Annie J.; Hall, Justin W.; King, Tyler L.; Que, Emily; Dieye, Yakhya; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.

2016-05-01

Two series of Cd-Ln and Ni-Ln clusters [Ln8Cd24L12(OAc)44(48)Cl4(0)] and [Ln8Ni6L6(OAc)24(EtOH)6(H2O)2] were constructed using a flexible ligand. The Cd-Ln clusters exhibit interesting nano-drum-like structures which allows direct visualization by TEM. Luminex MicroPlex Microspheres loaded with the Cd-Sm cluster were visualized using epifluorescence microscopy. Cytotoxicity studies on A549 and AGS cancer cell lines showed that the materials have mild to moderate cytotoxicity.Two series of Cd-Ln and Ni-Ln clusters [Ln8Cd24L12(OAc)44(48)Cl4(0)] and [Ln8Ni6L6(OAc)24(EtOH)6(H2O)2] were constructed using a flexible ligand. The Cd-Ln clusters exhibit interesting nano-drum-like structures which allows direct visualization by TEM. Luminex MicroPlex Microspheres loaded with the Cd-Sm cluster were visualized using epifluorescence microscopy. Cytotoxicity studies on A549 and AGS cancer cell lines showed that the materials have mild to moderate cytotoxicity. Electronic supplementary information (ESI) available: Full experimental and characterization details for 1-5. CCDC 1007468, 1007469 and 1007472-1007474. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6nr00642f

What is the minimum number of water molecules required to dissolve a potassium chloride molecule?

PubMed

Sen, Anik; Ganguly, Bishwajit

2010-12-01

This work answers an unsolved question that consists of determining the least number of water molecules necessary to separate a potassium chloride molecule. The answer based on accurate quantum chemical calculations suggests that tetramers are the smallest clusters necessary to dissociate KCl molecules. The study was made with Møller-Plesset second-order perturbation theory modified with the cluster theory having single, double, and perturbative triple excitations. With this extensive study, the dissociation of KCl molecule in different water clusters was evaluated. The calculated results show that four water molecules stabilize a solvent separated K(+)/Cl(-) ion-pair in prismatic structure and with six water molecules further dissociation was observed. Attenuated total reflection infrared spectroscopy of KCl dissolved in water establishes that clusters are made of closely bound ions with a mean of five water molecules per ion-pair [K(+)(H(2)O)(5)Cl(-)]. (Max and Chapados, Appl Spectrosc 1999, 53, 1601; Max and Chapados, J Chem Phys 2001, 115, 2664.) The calculated results tend to support that five water molecules leads toward the formation of contact ion-pair. The structures, energies, and infrared spectra of KCl molecules in different water clusters are also discussed. © 2010 Wiley Periodicals, Inc.

Iridium clusters in KLTL zeolite: Structure and catalytic selectivity for n-hexane aromatization

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

Triantafillou, N.D.; Miller, J.T.; Gates, B.C.

Catalysts consisting of Ir clusters in zeolite KLTL were prepared by reduction of [Ir(NH{sub 3}){sub 5}Cl]Cl{sub 2} in the zeolite with H{sub 2} at temperatures 300 or 500{degrees}C. The catalysts were tested for reactions of n-hexane and H{sub 2} at 400, 440 and 480{degrees}C and were characterized by temperature-programmed reduction, hydrogen chemisorption, transmission electron microscopy, infrared spectroscopy of adsorbed CO, and extended X-ray absorption fine structure spectroscopy. The clusters consist of 4 to 6 Ir atoms on average and are sufficiently small to reside within the pores of the zeolite. The infrared spectra characteristic of terminal CO suggest that themore » support environment is slightly basic and that the Ir clusters are electron rich relative to the bulk metal. Notwithstanding the small cluster size, the support basicity, and the confining geometry of the LTL zeolite pore structure, the catalytic performance is similar to those of other Ir catalysts, with a poor selectivity for aromatization and a high selectivity for hydrogenolysis. These results are consistent with the inference that the principal requirements for selective naphtha aromatization catalysts are both a nonacidic support and a metal with a low hydrogenolsis activity, i.e., Pt. 47 refs., 6 figs., 3 tabs.« less

Perceptions of EFL College Students toward Collaborative Learning

ERIC Educational Resources Information Center

Chen, Yingling

2018-01-01

The purpose of the study was to understand the perceptions of EFL college students toward collaborative learning (CL). This qualitative research design used narrative approach since the study emphasized on each participant's learning experiences with CL strategy. The data collection instruments for this research were consisted by interview…

The influence of academic examinations on energy and nutrient intake in male university students.

PubMed

Barker, Margo E; Blain, Richard J; Russell, Jean M

2015-09-25

Taking examinations is central to student experience at University and may cause psychological stress. Although stress is recognised to impact on food intake, the effects of undertaking examinations on students' dietary intake have not been well characterised. The purpose of this study was to assess how students' energy and nutrient intake may alter during examination periods. The study design was a within-subject comparison of students' energy and nutrient intake during an examination period contrasted with that outside an examination period (baseline). A total of 20 male students from the University of Sheffield completed an automated photographic 4-d dietary record alongside four 24-h recalls in each time period. Daily energy and nutrient intake was estimated for each student by time period and change in energy and nutrient intake calculated. Intakes at baseline were compared to UK dietary recommendations. Cluster analysis categorised students according to their change in energy intake between baseline and the examination period. Non-parametric statistical tests identified differences by cluster. Baseline intakes did not meet recommendations for energy, non-milk extrinsic sugars, non-starch polysaccharide and sodium. Three defined clusters of students were identified: Cluster D who decreased daily energy intake by 12.06 MJ (n = 5), Cluster S who had similar energy intakes (n = 13) and Cluster I who substantially increased energy intake by 6.37 MJ (n = 2) between baseline and examination period. There were statistically significant differences (all p < 0.05) in change in intake of protein, carbohydrate, calcium and sodium between clusters. Cluster D recorded greater energy, carbohydrate and protein intakes than Cluster I at baseline. The majority of students were dietary resilient. Students who demonstrated hypophagia in the examination period had a high energy and nutrient intake at baseline, conversely those who showed hyperphagia had a low energy and nutrient intake. These patterns require confirmation in studies including women, but if confirmed, there is need to address some students' poor food choice especially during examinations.

Systematics in lensing reconstruction: dark matter rings in the sky?

NASA Astrophysics Data System (ADS)

Ponente, P. P.; Diego, J. M.

2011-11-01

Context. Non-parametric lensing methods are a useful way of reconstructing the lensing mass of a cluster without making assumptions about the way the mass is distributed in the cluster. These methods are particularly powerful in the case of galaxy clusters with a large number of constraints. The advantage of not assuming implicitly that the luminous matter follows the dark matter is particularly interesting in those cases where the cluster is in a non-relaxed dynamical state. On the other hand, non-parametric methods have several limitations that should be taken into account carefully. Aims: We explore some of these limitations and focus on their implications for the possible ring of dark matter around the galaxy cluster CL0024+17. Methods: We project three background galaxies through a mock cluster of known radial profile density and obtain a map for the arcs (θ map). We also calculate the shear field associated with the mock cluster across the whole field of view (3.3 arcmin). Combining the positions of the arcs and the two-direction shear, we perform an inversion of the lens equation using two separate methods, the biconjugate gradient, and the quadratic programming (QADP) to reconstruct the convergence map of the mock cluster. Results: We explore the space of the solutions of the convergence map and compare the radial density profiles to the density profile of the mock cluster. When the inversion matrix algorithms are forced to find the exact solution, we encounter systematic effects resembling ring structures, that clearly depart from the original convergence map. Conclusions: Overfitting lensing data with a non-parametric method can produce ring-like structures similar to the alleged one in CL0024.

Structure and properties of Mn4Cl9: an antiferromagnetic binary hyperhalogen.

PubMed

Li, Yawei; Zhang, Shunhong; Wang, Qian; Jena, Puru

2013-02-07

Calculations based on density functional theory show that the structure of Mn(4)Cl(9) anion is that of a Mn atom at the core surrounded by three MnCl(3) moieties. Since Mn is predominantly divalent and MnCl(3) is known to be a superhalogen with a vertical detachment energy (VDE) of 5.27 eV, Mn(4)Cl(9) can be viewed as a hyperhalogen with the formula unit Mn(MnCl(3))(3). Indeed, the calculated VDE of Mn(4)Cl(9) anion, namely 6.76 eV, is larger than that of MnCl(3) anion. More importantly, unlike previously discovered hyperhalogens, Mn(4)Cl(9) is the first such hyperhalogen species composed of only two constituent atoms. We further show that Mn(4)Cl(9) can be used as a ligand to design molecules with even higher VDEs. For example, Li[Mn(MnCl(3))(3)](2) anion has a VDE of 7.26 eV. These negatively charged clusters are antiferromagnetic with most of the magnetic moments localized at the Mn sites. Our studies show new pathways for creating binary hyperhalogens.

Structure and properties of Mn4Cl9: An antiferromagnetic binary hyperhalogen

NASA Astrophysics Data System (ADS)

Li, Yawei; Zhang, Shunhong; Wang, Qian; Jena, Puru

2013-02-01

Calculations based on density functional theory show that the structure of Mn4Cl9 anion is that of a Mn atom at the core surrounded by three MnCl3 moieties. Since Mn is predominantly divalent and MnCl3 is known to be a superhalogen with a vertical detachment energy (VDE) of 5.27 eV, Mn4Cl9 can be viewed as a hyperhalogen with the formula unit Mn(MnCl3)3. Indeed, the calculated VDE of Mn4Cl9 anion, namely 6.76 eV, is larger than that of MnCl3 anion. More importantly, unlike previously discovered hyperhalogens, Mn4Cl9 is the first such hyperhalogen species composed of only two constituent atoms. We further show that Mn4Cl9 can be used as a ligand to design molecules with even higher VDEs. For example, Li[Mn(MnCl3)3]2 anion has a VDE of 7.26 eV. These negatively charged clusters are antiferromagnetic with most of the magnetic moments localized at the Mn sites. Our studies show new pathways for creating binary hyperhalogens.

Singlet Excited States of Cl and Br Molecules: New Theories Applied to the -XO and -XO2 (X=C1 and Br) Chromophores

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Srinivasan, Parthiban; Head-Gordon, Martin; Huo, Winifred (Technical Monitor)

1998-01-01

Electronic excitation energies are determined using single-reference based theories derived from response equations involving perturbation theory and coupled-cluster theory. These methods are applied to the singlet manifold of excited electronic states of the HClO, HBrO, HOClO, HOBrO, HClO2, and HBrO2 molecules. The reliability of the various perturbation theory approaches is assessed by comparison to the linear-response singles and doubles coupled-cluster (LRCCSD) method. The excitation energies for the Y-XO compounds are compared and contrasted for Y=H and HO, and X=Cl and Br. A similar comparison is performed for the H-XO2 compounds.

A 3D-analysis of cluster formation and dynamics of the X(-)-benzene (X = F, Cl, Br, I) ionic dimer solvated by Ar atoms.

PubMed

Albertí, Margarita; Huarte-Larrañaga, Fermín; Aguilar, Antonio; Lucas, José M; Pirani, Fernando

2011-05-14

The specific influence of X(-) ions (X = F,Cl, Br, I) in the solvation process of halide-benzene (X(-)-Bz) ionic heterodimers by Ar atoms is investigated by means of molecular dynamic (MD) simulations. The gradual evolution from cluster rearrangement to solvation dynamics is discussed by considering ensembles of n (n = 1-15 and n = 30) Ar atoms around the X(-)-Bz stable ionic dimers. The potential energy surfaces employed are based on an atom/ion-atom and atom/ion-bond decomposition, which has been developed previously by some of the authors. The outcome of the dynamics is analyzed by employing radial distribution functions (RDF) and tridimensional (3D) probability densities.

Adolescents' beverage choice at school and the impact on sugar intake.

PubMed

Ensaff, H; Russell, J; Barker, M E

2016-02-01

To examine students' beverage choice in school, with reference to its contribution to students' intake of non-milk extrinsic (NME) sugars. Beverage and food selection data for students aged 11-18 years (n=2461) were collected from two large secondary schools in England, for a continuous period of 145 (school A) and 125 (school B) school days. Descriptive analysis followed by cluster analysis of the beverage data were performed separately for each school. More than a third of all items selected by students were beverages, and juice-based beverages were students' most popular choice (school A, 38.6%; school B, 35.2%). Mean NME sugars derived from beverages alone was high (school A, 16.7 g/student-day; school B, 12.9 g/student-day). Based on beverage purchases, six clusters of students were identified at each school (school A: 'juice-based', 'assorted', 'water', 'cartoned flavoured milk', 'bottled flavoured milk', 'high volume juice-based'; school B: 'assorted', 'water with juice-based', 'sparkling juice/juice-based', 'water', 'high volume water', 'high volume juice-based'). Both schools included 'high volume juice-based' clusters with the highest NME sugar means from beverages (school A, 28.6 g/student-day; school B, 24.4 g/student-day), and 'water' clusters with the lowest. A hierarchy in NME sugars was found according to cluster; students in the 'high volume juice-based' cluster returned significantly higher levels of NME sugars than students in other clusters. This study reveals the contribution that school beverages combined with students' beverage choice behaviour is making to students' NME sugar intake. These findings inform school food initiatives, and more generally public health policy around adolescents' dietary intake.

Monster Clusters in the Young Universe? Weak-lensing Masses of SPT-CL J0205-5829 and MOO1014+0038 with HST Observations

NASA Astrophysics Data System (ADS)

Feilx Kim, Seojin; Jee, Myungkook James

2018-01-01

Measuring High-z clusters’ masses is very important as the cluster abundance is extremely sensitive to the cosmological parameters. However, deriving their masses from the intracluster medium properties (i.e., Sunyaev-Zel’dovich or X-ray observations) is not the best method because of their departure from the hydrostatic equilibrium. Fortunately, the “See Change” Hubble Space Telescope program offers a rare opportunity to measure them using weak gravitational lensing. We study SPT-CL J0205-5829 (z=1.322) and MOO1014+0038 (z=1.24) discovered in the SPT-SZ and MaDCoW Surveys, respectively. Previous non-lensing based approaches suggest that both targets might be extremely massive clusters. After carefully addressing various possible systematics from the Advanced Camera for Surveys (ACS) and Wide Field Camera 3 (WFC3) images, we successfully detect clear weak lensing signals. We present their 2-dimensional mass maps and compare our weak-lensing masses with previous ICM-based results.

Is antibody clustering predictive of clinical subsets and damage in systemic lupus erythematosus?

PubMed

To, C H; Petri, M

2005-12-01

To examine autoantibody clusters and their associations with clinical features and organ damage accrual in patients with systemic lupus erythematosus (SLE). The study group comprised 1,357 consecutive patients with SLE who were recruited to participate in a prospective longitudinal cohort study. In the cohort, 92.6% of the patients were women, the mean +/- SD age of the patients was 41.3 +/- 12.7 years, 55.9% were Caucasian, 39.1% were African American, and 5% were Asian. Seven autoantibodies (anti-double-stranded DNA [anti-dsDNA], anti-Sm, anti-Ro, anti-La, anti-RNP, lupus anticoagulant (LAC), and anticardiolipin antibody [aCL]) were selected for cluster analysis using the K-means cluster analysis procedure. Three distinct autoantibody clusters were identified: cluster 1 (anti-Sm and anti-RNP), cluster 2 (anti-dsDNA, anti-Ro, and anti-La), and cluster 3 (anti-dsDNA, LAC, and aCL). Patients in cluster 1 (n = 451), when compared with patients in clusters 2 (n = 470) and 3 (n = 436), had the lowest incidence of proteinuria (39.7%), anemia (52.8%), lymphopenia (33.9%), and thrombocytopenia (13.7%). The incidence of nephrotic syndrome and leukopenia was also lower in cluster 1 than in cluster 2. Cluster 2 had the highest female-to-male ratio (22:1) and the greatest proportion of Asian patients. Among the 3 clusters, cluster 2 had significantly more patients presenting with secondary Sjögren's syndrome (15.7%). Cluster 3, when compared with the other 2 clusters, consisted of more Caucasian and fewer African American patients and was characterized by the highest incidence of arterial thrombosis (17.4%), venous thrombosis (25.7%), and livedo reticularis (31.4%). By using the Systemic Lupus International Collaborating Clinics/American College of Rheumatology Damage Index, the greatest frequency of nephrotic syndrome (8.9%) was observed in patients in cluster 2, whereas cluster 3 patients had the highest percentage of damage due to cerebrovascular accident (12.8%) and venous thrombosis (7.8%). Osteoporotic fracture (11.9%) was also more common in cluster 3 than in cluster 2. Autoantibody clustering is a valuable tool to differentiate between various subsets of SLE, allowing prediction of subsequent clinical course and organ damage.

Crystal structure of the new A2SnTa6X18 (A = K, Rb, Cs; X = Cl, Br) cluster compounds

NASA Astrophysics Data System (ADS)

Lemoine, P.; Wilmet, M.; Malaman, B.; Paofai, S.; Dumait, N.; Cordier, S.

2018-01-01

The crystal structure of the new cluster compounds A2SnTa6X18 (with A = K, Rb, Cs, and X = Cl, Br) was determined by using single-crystal and powder X-ray diffraction, and 119Sn Mössbauer spectroscopy. Those compounds crystallize in the Cs2EuNb6Br18-type structure of space group R 3 ̅. This type of structure is built up on discrete edge-bridged [M6Xi12Xa6]4- cluster units arranged according to a pseudo face-centered cubic stacking, where the octahedral and tetrahedral vacancies are fully occupied by divalent tin cations and monovalent alkaline cations, respectively. The tin cations influence on the halogen matrix and the electronic effects on the cluster units in the Cs2EuNb6Br18-type structure are discussed by comparison with isotype compounds. From those analyses, the ionic radius of Sn2+ in coordination number VI is estimated to be 1.14(1) Å. Finally, K2SnTa6Br18 might be considered as a new example of compound containing a quite bare stannous ion (5 s2 configuration).

Zintl Clusters as Wet-Chemical Precursors for Germanium Nanomorphologies with Tunable Composition.

PubMed

Bentlohner, Manuel M; Waibel, Markus; Zeller, Patrick; Sarkar, Kuhu; Müller-Buschbaum, Peter; Fattakhova-Rohlfing, Dina; Fässler, Thomas F

2016-02-12

[Ge9](4-) Zintl clusters are used as soluble germanium source for a bottom-up fabrication of Ge nanomorphologies such as inverse opal structures with tunable composition. The method is based on the assembly and oxidation of [Ge9 ](4-) clusters in a template mold using SiCl4 , GeCl4 , and PCl3 leading to Si and P-containing Ge phases as shown by X-ray diffraction, Raman spectroscopy, and energy-dispersive X-ray analysis. [Ge9](4-) clusters are retained using ethylenediamine (en) as a transfer medium to a mold after removal of the solvent if water is thoroughly excluded, but are oxidized to amorphous Ge in presence of water traces. (1)H NMR spectroscopy reveals the oxidative deprotonation of en by [Ge9](4-). Subsequent annealing leads to crystalline Ge. As an example for wet-chemical synthesis of complex Ge nanomorphologies, we describe the fabrication of undoped and P-doped inverse opal-structured Ge films with a rather low oxygen contents. The morphology of the films with regular volume porosity is characterized by SEM, TEM, and grazing incidence small-angle X-ray scattering. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Anion dependent self-assembly of 56-metal Cd-Ln nanoclusters with enhanced near-infrared luminescence properties

NASA Astrophysics Data System (ADS)

Yang, Xiaoping; Schipper, Desmond; Zhang, Lijie; Yang, Keqin; Huang, Shaoming; Jiang, Jijun; Su, Chengyong; Jones, Richard A.

2014-08-01

Two series of Cd-Ln clusters: nano-drum [Ln8Cd24L12(OAc)48] and nano-double-drum [Ln12Cd44L20Cl30(OAc)54] (Ln = Nd and Yb) were prepared using a flexible Schiff base ligand bearing two aryl-Br groups. Chloride (Cl-) ions, together with the interactions of Br with other electronegative atoms, play a key role in the formation of the nano-double-drums. The structures were studied by TEM and photophysical properties were determined.Two series of Cd-Ln clusters: nano-drum [Ln8Cd24L12(OAc)48] and nano-double-drum [Ln12Cd44L20Cl30(OAc)54] (Ln = Nd and Yb) were prepared using a flexible Schiff base ligand bearing two aryl-Br groups. Chloride (Cl-) ions, together with the interactions of Br with other electronegative atoms, play a key role in the formation of the nano-double-drums. The structures were studied by TEM and photophysical properties were determined. Electronic supplementary information (ESI) available: Full experimental and characterization details for 1-4. CCDC 972369-972372. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4nr03075c

Theoretical modeling of magnesium ion imprints in the Raman scattering of water.

PubMed

Kapitán, Josef; Dracínský, Martin; Kaminský, Jakub; Benda, Ladislav; Bour, Petr

2010-03-18

Hydration envelopes of metallic ions significantly influence their chemical properties and biological functioning. Previous computational studies, nuclear magnetic resonance (NMR), and vibrational spectra indicated a strong affinity of the Mg(2+) cation to water. We find it interesting that, although monatomic ions do not vibrate themselves, they cause notable changes in the water Raman signal. Therefore, in this study, we used a combination of Raman spectroscopy and computer modeling to analyze the magnesium hydration shell and origin of the signal. In the measured spectra of several salts (LiCl, NaCl, KCl, MgCl(2), CaCl(2), MgBr(2), and MgI(2) water solutions), only the spectroscopic imprint of the hydrated Mg(2+) cation could clearly be identified as an exceptionally distinct peak at approximately 355 cm(-1). The assignment of this band to the Mg-O stretching motion could be confirmed on the basis of several models involving quantum chemical computations on metal/water clusters. Minor Raman spectral features could also be explained. Ab initio and Fourier transform (FT) techniques coupled with the Car-Parrinello molecular dynamics were adapted to provide the spectra from dynamical trajectories. The results suggest that even in concentrated solutions magnesium preferentially forms a [Mg(H(2)O)(6)](2+) complex of a nearly octahedral symmetry; nevertheless, the Raman signal is primarily associated with the relatively strong metal-H(2)O bond. Partially covalent character of the Mg-O bond was confirmed by a natural bond orbital analysis. Computations on hydrated chlorine anion did not provide a specific signal. The FT techniques gave good spectral profiles in the high-frequency region, whereas the lowest-wavenumber vibrations were better reproduced by the cluster models. Both dynamical and cluster computational models provided a useful link between spectral shapes and specific ion-water interactions.

Weighing "El Gordo" with a Precision Scale: Hubble Space Telescope Weak-lensing Analysis of the Merging Galaxy Cluster ACT-CL J0102-4915 at z = 0.87

NASA Astrophysics Data System (ADS)

Jee, M. James; Hughes, John P.; Menanteau, Felipe; Sifón, Cristóbal; Mandelbaum, Rachel; Barrientos, L. Felipe; Infante, Leopoldo; Ng, Karen Y.

2014-04-01

We present a Hubble Space Telescope weak-lensing study of the merging galaxy cluster "El Gordo" (ACT-CL J0102-4915) at z = 0.87 discovered by the Atacama Cosmology Telescope (ACT) collaboration as the strongest Sunyaev-Zel'dovich decrement in its ~1000 deg2 survey. Our weak-lensing analysis confirms that ACT-CL J0102-4915 is indeed an extreme system consisting of two massive (gsim 1015 M ⊙ each) subclusters with a projected separation of {\\sim }0.7\\,h_{70}^{-1} Mpc. This binary mass structure revealed by our lensing study is consistent with the cluster galaxy distribution and the dynamical study carried out with 89 spectroscopic members. We estimate the mass of ACT-CL J0102-4915 by simultaneously fitting two axisymmetric Navarro-Frenk-White (NFW) profiles allowing their centers to vary. We use only a single parameter for the NFW mass profile by enforcing the mass-concentration relation from numerical simulations. Our Markov-Chain-Monte-Carlo analysis shows that the masses of the northwestern (NW) and the southeastern (SE) components are M_{200c}=(1.38+/- 0.22)\\times 10^{15} \\,h_{70}^{-1}\\, M_{\\odot } and (0.78+/- 0.20)\\times 10^{15} \\,h_{70}^{-1}\\, M_{\\odot }, respectively, where the quoted errors include only 1σ statistical uncertainties determined by the finite number of source galaxies. These mass estimates are subject to additional uncertainties (20%-30%) due to the possible presence of triaxiality, correlated/uncorrelated large scale structure, and departure of the cluster profile from the NFW model. The lensing-based velocity dispersions are 1133_{-61}^{+58}\\; km\\; s^{-1} and 1064_{-66} ^{+62}\\; km\\; s^{-1} for the NW and SE components, respectively, which are consistent with their spectroscopic measurements (1290 ± 134 km s-1 and 1089 ± 200 km s-1, respectively). The centroids of both components are tightly constrained (~4'') and close to the optical luminosity centers. The X-ray and mass peaks are spatially offset by ~8'' ({\\sim }62\\,h_{70}^{-1} kpc), which is significant at the ~2σ confidence level. The mass peak, however, does not lead the gas peak in the direction expected if we are viewing the cluster soon after first core passage during a high speed merger. Under the assumption that the merger is happening in the plane of the sky, extrapolation of the two NFW halos to a radius r_{200a}=2.4\\,h_{70}^{-1} Mpc yields a combined mass of M_{200a}=(3.13+/- 0.56)\\times 10^{15}\\,h_{70}^{-1}\\, M_{\\odot }. This extrapolated total mass is consistent with our two-component-based dynamical analysis and previous X-ray measurements, projecting ACT-CL J0102-4915 to be the most massive cluster at z > 0.6 known to date.

(Tetramethylthiophene)ruthenium in dichloride dimer: A versatile synthetic intermediate in thiophene coordination chemistry

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

Lockemeyer, J.R.; Rauchfuss, T.B.; Wilson, S.R.

1989-11-22

The thermal reaction of ((cymene)RuCl{sub 2}){sub 2} and tetramethylthiophene (TMT) gives ((TMT)RuCl{sub 2}){sub 2} (1). Treatment of 1 with silver salts in the presence of various ligands gives salts of ((TMT)RuL{sub 3}){sup 2+} where L{sub 3} = (H{sub 2}O){sub 3}, (CH{sub 3}CN){sub 3}, and TMT. A crystallographic study demonstrated that ((TMT){sub 2}Ru)(BF{sub 4}){sub 2} {times} 2CH{sub 3}NO{sub 2} adopts a sandwich structure with sulfur atoms sited cis on the pseudooctahedron. Cyclic voltammetry studies show that ((TMT){sub 2}Ru){sup 2+} undergoes 2 reversible one-electron reductions. Solutions of 1 and phosphine and amine donors react to give well-behaved monometallic derivatives of the typemore » (TMT)RuCl{sub 2}L where L is PR{sub 3} and NH{sub 2}C{sub 6}H{sub 4}Me. For bulky L = PPh{sub 3} and P(C{sub 6}H{sub 4}Me){sub 3}, variable-temperature NMR studies demonstrate hindered rotation about the Ru-P and Ru{hor ellipsis} TMT axes. Treatment of 1 with (Me{sub 3}Si){sub 2}S gives the cluster ((TMT)RuCl){sub 3}S{sup +} whose PF{sub 6}{sup {minus}} salt was examined by X-ray crystallography. The cluster is comprised of 3 conjoined pseudooctahedral Ru centers bridged by 1 {mu}{sub 3}-S and 3 {mu}-Cl atoms.« less

Using Complementary Learning Clusters in Studying Literature to Enhance Students' Medical Humanities Literacy, Critical Thinking, and English Proficiency.

PubMed

Liao, Hung-Chang; Wang, Ya-Huei

2016-04-01

This study examined whether students studying literature in complementary learning clusters would show more improvement in medical humanities literacy, critical thinking skills, and English proficiency compared to those in conventional learning clusters. Ninety-three students participated in the study (M age = 18.2 years, SD = 0.4; 36 men, 57 women). A quasi-experimental design was used over 16 weeks, with the control group (n = 47) working in conventional learning clusters and the experimental group (n = 46) working in complementary learning clusters. Complementary learning clusters were those in which individuals had complementary strengths enabling them to learn from and offer assistance to other cluster members, hypothetically facilitating the learning process. Measures included the Medical Humanities Literacy Scale, Critical Thinking Disposition Assessment, English proficiency tests, and Analytic Critical Thinking Scoring Rubric. The results showed that complementary learning clusters have the potential to improve students' medical humanities literacy, critical thinking skills, and English proficiency. © The Author(s) 2016.

Superexchange coupling and slow magnetic relaxation in a transuranium polymetallic complex.

PubMed

Magnani, N; Colineau, E; Eloirdi, R; Griveau, J-C; Caciuffo, R; Cornet, S M; May, I; Sharrad, C A; Collison, D; Winpenny, R E P

2010-05-14

{Np(VI)O2Cl2}{Np(V)O2Cl(thf)3}2 is the first studied example of a polymetallic transuranic complex displaying both slow relaxation of the magnetization and effective superexchange interactions between 5f centers. The coupling constant for Np(V)-Np(VI) pairs is 10.8 K, more than 1 order of magnitude larger than the common values found for rare-earth ions in similar environments. The dynamic magnetic behavior displays slow relaxation of magnetization of molecular origin with an energy barrier of 140 K, which is nearly twice the size of the highest barrier found in polymetallic clusters of the d block. Our observations also suggest that future actinide-based molecular magnets will have very different behavior to lanthanide-based clusters.

XMM-Newton X-ray and HST weak gravitational lensing study of the extremely X-ray luminous galaxy cluster Cl J120958.9+495352 (z = 0.902)

NASA Astrophysics Data System (ADS)

Thölken, Sophia; Schrabback, Tim; Reiprich, Thomas H.; Lovisari, Lorenzo; Allen, Steven W.; Hoekstra, Henk; Applegate, Douglas; Buddendiek, Axel; Hicks, Amalia

2018-03-01

Context. Observations of relaxed, massive, and distant clusters can provide important tests of standard cosmological models, for example by using the gas mass fraction. To perform this test, the dynamical state of the cluster and its gas properties have to be investigated. X-ray analyses provide one of the best opportunities to access this information and to determine important properties such as temperature profiles, gas mass, and the total X-ray hydrostatic mass. For the last of these, weak gravitational lensing analyses are complementary independent probes that are essential in order to test whether X-ray masses could be biased. Aims: We study the very luminous, high redshift (z = 0.902) galaxy cluster Cl J120958.9+495352 using XMM-Newton data. We measure global cluster properties and study the temperature profile and the cooling time to investigate the dynamical status with respect to the presence of a cool core. We use Hubble Space Telescope (HST) weak lensing data to estimate its total mass and determine the gas mass fraction. Methods: We perform a spectral analysis using an XMM-Newton observation of 15 ks cleaned exposure time. As the treatment of the background is crucial, we use two different approaches to account for the background emission to verify our results. We account for point spread function effects and deproject our results to estimate the gas mass fraction of the cluster. We measure weak lensing galaxy shapes from mosaic HST imaging and select background galaxies photometrically in combination with imaging data from the William Herschel Telescope. Results: The X-ray luminosity of Cl J120958.9+495352 in the 0.1-2.4 keV band estimated from our XMM-Newton data is LX = (13.4+1.2-1.0) × 1044 erg/s and thus it is one of the most X-ray luminous clusters known at similarly high redshift. We find clear indications for the presence of a cool core from the temperature profile and the central cooling time, which is very rare at such high redshifts. Based on the weak lensing analysis, we estimate a cluster mass of M500/1014 M⊙ = 4.4+2.2-2.0 (stat.) + 0.6 (sys.) and a gas mass fraction of fgas,2500 = 0.11-0.03+0.06 in good agreement with previous findings for high redshift and local clusters.

Dynamic Cluster Analysis: An Unbiased Method for Identifying A + 2 Element Containing Compounds in Liquid Chromatographic High-Resolution Time-of-Flight Mass Spectrometric Data.

PubMed

Andersen, Aaron John Christian; Hansen, Per Juel; Jørgensen, Kevin; Nielsen, Kristian Fog

2016-12-20

Dynamic cluster analysis (DCA) is an automated, unbiased technique which can identify Cl, Br, S, and other A + 2 element containing metabolites in liquid chromatographic high-resolution mass spectrometric data. DCA is based on three features, primarily the previously unutilized A + 1 to A + 2 isotope cluster spacing which is a strong classifier in itself but improved with the addition of the monoisotopic mass, and the well-known A:A+2 intensity ratio. Utilizing only the A + 1 to A + 2 isotope cluster spacing and the monoisotopic mass it was possible to filter a chromatogram for metabolites which contain Cl, Br, and S. Screening simulated isotope patterns of the Antibase Natural Products Database it was determined that the A + 1 to A + 2 isotope cluster spacing can be used to correctly classify 97.4% of molecular formulas containing these elements, only misclassifying a few metabolites which were either over 2800 u or metabolites which contained other A + 2 elements, such as Cu, Ni, Mg, and Zn. It was determined that with an interisotopic mass accuracy of 1 ppm, in a fully automated process, using all three parameters, it is possible to specifically filter a chromatogram for S containing metabolites with monoisotopic masses less than 825 u. Furthermore, it was possible to specifically filter a chromatogram for Cl and Br containing metabolites with monoisotopic masses less than 1613 u. Here DCA is applied on (i) simulated isotope patterns of the Antibase natural products databases, (ii) LC-QTOF data of reference standards, and (iii) LC-QTOF data of crude extracts of 10 strains of laboratory grown cultures of the microalga Prymnesium parvum where it identified known metabolites of the prymnesin series as well as over 20 previously undescribed prymnesin-like molecular features.

Final Report of the Evaluation of the 1969-1970 Benjamin Franklin Cluster Program: Programs and Patterns for Disadvantaged High School Students. ESEA Title I.

ERIC Educational Resources Information Center

Hoffman, Louis J.

The Cluster Program at Benjamin Franklin High School, funded under Title I of the 1965 Elementary Secondary Education Act, is designed to be a school within a school in which 249 ninth grade students attend classes in two separate clusters. Each cluster is formulated such that all students receive instruction from five teachers in classes whose…

The Use of Cyclometalated NHCs and Pyrazoles for the Development of Fully Efficient Blue PtII Emitters and Pt/Ag Clusters.

PubMed

Arnal, Lorenzo; Fuertes, Sara; Martín, Antonio; Sicilia, Violeta

2018-05-15

New bis-pyrazole complexes [Pt(C^C*)(RpzH) 2 ]X, containing a cyclometalated N-heterocyclic carbene ligand (HC^C*=1-(4-(ethoxycarbonyl)phenyl)-3-methyl-1H-imidazol-2-ylidene) were prepared as chloride (X=Cl - , RpzH: 3,5-Me 2 pzH 1 a, 4-MepzH 2 a, pzH 3 a), perchlorate (X=ClO 4 - , 1 b-3 b), or hexafluorophosphate (X=PF 6 - , RpzH: 3,5-Me 2 pzH 1 c) salts. The X-ray structure of 1 a showed that the Cl - anion is trapped by the cation through two N-H⋅⋅⋅Cl bonds. In solution of methanol, acetone and THF at RT, 1 a-3 a coexist in equilibrium with the corresponding [PtCl(C^C*)(RpzH)] (B) and RpzH species. In CH 2 Cl 2 , this equilibrium takes place just for 2 a and 3 a, but it is completely shifted to the left at 243 and 223 K for 2 a and 3 a, respectively. The low-lying absorption and emission bands were assigned to intraligand (ILCT) charge transfer on the NHC group. Quantum yield measurements in PMMA films revealed that 1 b, 2 b and 1 c are amongst the most efficient blue-light emitters, with values up to 100 %. Proton abstraction from the coordinated 3,5-Me 2 pzH in 1 b by NEt 3 and replacement by Ag + afforded a neutral [Pt 2 Ag 2 ] cluster containing Pt→Ag dative bonds. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Risk Mapping of Cutaneous Leishmaniasis via a Fuzzy C Means-based Neuro-Fuzzy Inference System

NASA Astrophysics Data System (ADS)

Akhavan, P.; Karimi, M.; Pahlavani, P.

2014-10-01

Finding pathogenic factors and how they are spread in the environment has become a global demand, recently. Cutaneous Leishmaniasis (CL) created by Leishmania is a special parasitic disease which can be passed on to human through phlebotomus of vector-born. Studies show that economic situation, cultural issues, as well as environmental and ecological conditions can affect the prevalence of this disease. In this study, Data Mining is utilized in order to predict CL prevalence rate and obtain a risk map. This case is based on effective environmental parameters on CL and a Neuro-Fuzzy system was also used. Learning capacity of Neuro-Fuzzy systems in neural network on one hand and reasoning power of fuzzy systems on the other, make it very efficient to use. In this research, in order to predict CL prevalence rate, an adaptive Neuro-fuzzy inference system with fuzzy inference structure of fuzzy C Means clustering was applied to determine the initial membership functions. Regarding to high incidence of CL in Ilam province, counties of Ilam, Mehran, and Dehloran have been examined and evaluated. The CL prevalence rate was predicted in 2012 by providing effective environmental map and topography properties including temperature, moisture, annual, rainfall, vegetation and elevation. Results indicate that the model precision with fuzzy C Means clustering structure rises acceptable RMSE values of both training and checking data and support our analyses. Using the proposed data mining technology, the pattern of disease spatial distribution and vulnerable areas become identifiable and the map can be used by experts and decision makers of public health as a useful tool in management and optimal decision-making.

Microscopic potential fluctuations in Si-doped AlGaN epitaxial layers with various AlN molar fractions and Si concentrations

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

Kurai, Satoshi, E-mail: kurai@yamaguchi-u.ac.jp; Yamada, Yoichi; Miyake, Hideto

2016-01-14

Nanoscopic potential fluctuations of Si-doped AlGaN epitaxial layers with the AlN molar fraction varying from 0.42 to 0.95 and Si-doped Al{sub 0.61}Ga{sub 0.39}N epitaxial layers with Si concentrations of 3.0–37 × 10{sup 17 }cm{sup −3} were investigated by cathodoluminescence (CL) imaging combined with scanning electron microscopy. The spot CL linewidths of AlGaN epitaxial layers broadened as the AlN molar fraction was increased to 0.7, and then narrowed at higher AlN molar fractions. The experimental linewidths were compared with the theoretical prediction from the alloy broadening model. The trends displayed by our spot CL linewidths were consistent with calculated results at AlN molar fractionsmore » of less than about 0.60, but the spot CL linewidths were markedly broader than the calculated linewidths at higher AlN molar fractions. The dependence of the difference between the spot CL linewidth and calculated line broadening on AlN molar fraction was found to be similar to the dependence of reported S values, indicating that the vacancy clusters acted as the origin of additional line broadening at high AlN molar fractions. The spot CL linewidths of Al{sub 0.61}Ga{sub 0.39}N epitaxial layers with the same Al concentration and different Si concentrations were nearly constant in the entire Si concentration range tested. From the comparison of reported S values, the increase of V{sub Al} did not contribute to the linewidth broadening, unlike the case of the V{sub Al} clusters.« less

SEVEN-YEAR WILKINSON MICROWAVE ANISOTROPY PROBE (WMAP ) OBSERVATIONS: COSMOLOGICAL INTERPRETATION

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

Komatsu, E.; Smith, K. M.; Spergel, D. N.

2011-02-01

The combination of seven-year data from WMAP and improved astrophysical data rigorously tests the standard cosmological model and places new constraints on its basic parameters and extensions. By combining the WMAP data with the latest distance measurements from the baryon acoustic oscillations (BAO) in the distribution of galaxies and the Hubble constant (H{sub 0}) measurement, we determine the parameters of the simplest six-parameter {Lambda}CDM model. The power-law index of the primordial power spectrum is n{sub s} = 0.968 {+-} 0.012 (68% CL) for this data combination, a measurement that excludes the Harrison-Zel'dovich-Peebles spectrum by 99.5% CL. The other parameters, includingmore » those beyond the minimal set, are also consistent with, and improved from, the five-year results. We find no convincing deviations from the minimal model. The seven-year temperature power spectrum gives a better determination of the third acoustic peak, which results in a better determination of the redshift of the matter-radiation equality epoch. Notable examples of improved parameters are the total mass of neutrinos, {Sigma}M{sub {nu}} < 0.58 eV(95%CL), and the effective number of neutrino species, N{sub eff} = 4.34{sup +0.86}{sub -0.88} (68% CL), which benefit from better determinations of the third peak and H{sub 0}. The limit on a constant dark energy equation of state parameter from WMAP+BAO+H{sub 0}, without high-redshift Type Ia supernovae, is w = -1.10 {+-} 0.14 (68% CL). We detect the effect of primordial helium on the temperature power spectrum and provide a new test of big bang nucleosynthesis by measuring Y{sub p} = 0.326 {+-} 0.075 (68% CL). We detect, and show on the map for the first time, the tangential and radial polarization patterns around hot and cold spots of temperature fluctuations, an important test of physical processes at z = 1090 and the dominance of adiabatic scalar fluctuations. The seven-year polarization data have significantly improved: we now detect the temperature-E-mode polarization cross power spectrum at 21{sigma}, compared with 13{sigma} from the five-year data. With the seven-year temperature-B-mode cross power spectrum, the limit on a rotation of the polarization plane due to potential parity-violating effects has improved by 38% to {Delta}{alpha} = -1.{sup o}1 {+-} 1.{sup o}4(statistical) {+-} 1.{sup o}5(systematic) (68% CL). We report significant detections of the Sunyaev-Zel'dovich (SZ) effect at the locations of known clusters of galaxies. The measured SZ signal agrees well with the expected signal from the X-ray data on a cluster-by-cluster basis. However, it is a factor of 0.5-0.7 times the predictions from 'universal profile' of Arnaud et al., analytical models, and hydrodynamical simulations. We find, for the first time in the SZ effect, a significant difference between the cooling-flow and non-cooling-flow clusters (or relaxed and non-relaxed clusters), which can explain some of the discrepancy. This lower amplitude is consistent with the lower-than-theoretically expected SZ power spectrum recently measured by the South Pole Telescope Collaboration.« less

Ab initio chemical kinetic study on Cl + ClO and related reverse processes.

PubMed

Xu, Z F; Lin, M C

2010-11-04

The reaction of ClO with Cl and its related reverse processes have been studied theoretically by ab initio quantum chemical and statistical mechanical calculations. The geometric parameters of the reactants, products, and transition states are optimized by both UMPW1PW91 and unrestricted coupled-cluster single and double excitation (UCCSD) methods with the 6-311+G(3df) basis set. The potential energy surface has been further refined (with triple excitations, T) at the UCCSD(T)/6-311+G(3df) level of theory. The results show that Cl(2) and O ((3)P) can be produced by chlorine atom abstraction via a tight transition state, while ClOCl ((1)A(1)) and ClClO ((1)A') can be formed by barrierless association processes with exothermicities of 31.8 and 16.0 kcal/mol, respectively. In principle the O ((1)D) atom can be generated with a large endothermicity of 56.9 kcal/mol; on the other hand, its barrierless reaction with Cl(2) can readily form ClClO ((1)A'), which fragments rapidly to give ClO + Cl. The rate constants of both forward and reverse processes have been predicted at 150-2000 K by the microcanonical variational transition state theory (VTST)/Rice-Ramsperger-Kassel-Marcus (RRKM) theory. The predicted rate constants are in good agreement with available experimental data within reported errors.

Temperature-dependent solubility transition of Na₂SO₄ in water and the effect of NaCl therein: solution structures and salt water dynamics.

PubMed

Bharmoria, Pankaj; Gehlot, Praveen Singh; Gupta, Hariom; Kumar, Arvind

2014-11-06

Dual, aqueous solubility behavior of Na2SO4 as a function of temperatures is still a natural enigma lying unresolved in the literature. The solubility of Na2SO4 increases up to 32.38 °C and decreases slightly thereafter at higher temperatures. We have thrown light on this phenomenon by analyzing the Na2SO4-water clusters (growth and stability) detected from temperature-dependent dynamic light scattering experiments, solution compressibility changes derived from the density and speed of sound measurements, and water structural changes/Na2SO4 (ion pair)-water interactions observed from the FT-IR and 2D DOSY (1)H NMR spectroscopic investigations. It has been observed that Na2SO4-water clusters grow with an increase in Na2SO4 concentration (until the solubility transition temperature) and then start decreasing afterward. An unusual decrease in cluster size and solution compressibility has been observed with the rise in temperature for the Na2SO4 saturated solutions below the solubility transition temperature, whereas an inverse pattern is followed thereafter. DOSY experiments have indicated different types of water cluster species in saturated solutions at different temperatures with varying self-diffusion coefficients. The effect of NaCl (5-15 wt %) on the solubility behavior of Na2SO4 at different temperatures has also been examined. The studies are important from both fundamental and industrial application points of view, for example, toward the clean separation of NaCl and Na2SO4 from the effluent streams of textile and tannery industries.

MC 2: A Deeper Look at ZwCl 2341.1+0000 with Bayesian Galaxy Clustering and Weak Lensing Analyses

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

Benson, B.; Wittman, D. M.; Golovich, N.

ZwCl 2341.1+0000, a merging galaxy cluster with disturbed X-ray morphology and widely separated (~3 Mpc) double radio relics, was thought to be an extremely massive (10 - 30 X 10 14M⊙) and complex system with little known about its merger history. We present JVLA 2-4 GHz observations of the cluster, along with new spectroscopy from our Keck/DEIMOS survey, and apply Gaussian Mixture Modeling to the three-dimensional distribution of 227 con rmed cluster galaxies. After adopting the Bayesian Information Criterion to avoid over tting, which we discover can bias total dynamical mass estimates high, we nd that a three-substructure model withmore » a total dynamical mass estimate of 9:39 ± 0:81 X 10 14M⊙ is favored. We also present deep Subaru imaging and perform the rst weak lensing analysis on this system, obtaining a weak lensing mass estimate of 5:57±2:47X10 14M⊙. This is a more robust estimate because it does not depend on the dynamical state of the system, which is disturbed due to the merger. Our results indicate that ZwCl 2341.1+0000 is a multiple merger system comprised of at least three substructures, with the main merger that produced the radio relics occurring near to the plane of the sky, and a younger merger in the North occurring closer to the line of sight. Dynamical modeling of the main merger reproduces observed quantities (relic positions and polarizations, subcluster separation and radial velocity difference), if the merger axis angle of ~10 +34 -6 degrees and the collision speed at pericenter is ~1900 +300 -200 km/s.« less

MC 2: A Deeper Look at ZwCl 2341.1+0000 with Bayesian Galaxy Clustering and Weak Lensing Analyses

DOE PAGES

Benson, B.; Wittman, D. M.; Golovich, N.; ...

2017-05-16

ZwCl 2341.1+0000, a merging galaxy cluster with disturbed X-ray morphology and widely separated (~3 Mpc) double radio relics, was thought to be an extremely massive (10 - 30 X 10 14M⊙) and complex system with little known about its merger history. We present JVLA 2-4 GHz observations of the cluster, along with new spectroscopy from our Keck/DEIMOS survey, and apply Gaussian Mixture Modeling to the three-dimensional distribution of 227 con rmed cluster galaxies. After adopting the Bayesian Information Criterion to avoid over tting, which we discover can bias total dynamical mass estimates high, we nd that a three-substructure model withmore » a total dynamical mass estimate of 9:39 ± 0:81 X 10 14M⊙ is favored. We also present deep Subaru imaging and perform the rst weak lensing analysis on this system, obtaining a weak lensing mass estimate of 5:57±2:47X10 14M⊙. This is a more robust estimate because it does not depend on the dynamical state of the system, which is disturbed due to the merger. Our results indicate that ZwCl 2341.1+0000 is a multiple merger system comprised of at least three substructures, with the main merger that produced the radio relics occurring near to the plane of the sky, and a younger merger in the North occurring closer to the line of sight. Dynamical modeling of the main merger reproduces observed quantities (relic positions and polarizations, subcluster separation and radial velocity difference), if the merger axis angle of ~10 +34 -6 degrees and the collision speed at pericenter is ~1900 +300 -200 km/s.« less

Enrichment Clusters: A Practical Plan for Real-World, Student-Driven Learning.

ERIC Educational Resources Information Center

Renzulli, Joseph S.; Gentry, Marcia; Reis, Sally M.

This guidebook provides a rationale and guidelines for implementing a student-driven learning approach using enrichment clusters. Enrichment clusters allow students who share a common interest to meet each week to produce a product, performance, or targeted service based on that common interest. Chapter 1 discusses different models of learning.…

Identifying At-Risk Students in General Chemistry via Cluster Analysis of Affective Characteristics

ERIC Educational Resources Information Center

Chan, Julia Y. K.; Bauer, Christopher F.

2014-01-01

The purpose of this study is to identify academically at-risk students in first-semester general chemistry using affective characteristics via cluster analysis. Through the clustering of six preselected affective variables, three distinct affective groups were identified: low (at-risk), medium, and high. Students in the low affective group…

Improving Performance for Gifted Students in a Cluster Grouping Model

ERIC Educational Resources Information Center

Brulles, Dina; Saunders, Rachel; Cohn, Sanford J.

2010-01-01

Although experts in gifted education widely promote cluster grouping gifted students, little empirical evidence is available to attest to its effectiveness. This study is an example of comparative action research in the form of a quantitative case study that focused on the mandated cluster grouping practices for gifted students in an urban…

The HectoMAP Cluster Survey. II. X-Ray Clusters

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

Sohn, Jubee; Chon, Gayoung; Bohringer, Hans

Here, we apply a friends-of-friends algorithm to the HectoMAP redshift survey and cross-identify associated X-ray emission in the ROSAT All-Sky Survey data (RASS). The resulting flux-limited catalog of X-ray cluster surveys is complete to a limiting flux of ~3 × 10 –13 erg s –1 cm –2 and includes 15 clusters (7 newly discovered) with redshifts z ≤ 0.4. HectoMAP is a dense survey (~1200 galaxies deg –2) that provides ~50 members (median) in each X-ray cluster. We provide redshifts for the 1036 cluster members. Subaru/Hyper Suprime-Cam imaging covers three of the X-ray systems and confirms that they are impressivemore » clusters. The HectoMAP X-ray clusters have an L X–σ cl scaling relation similar to that of known massive X-ray clusters. The HectoMAP X-ray cluster sample predicts ~12,000 ± 3000 detectable X-ray clusters in RASS to the limiting flux, comparable with previous estimates.« less

The HectoMAP Cluster Survey. II. X-Ray Clusters

DOE PAGES

Sohn, Jubee; Chon, Gayoung; Bohringer, Hans; ...

2018-03-10

Here, we apply a friends-of-friends algorithm to the HectoMAP redshift survey and cross-identify associated X-ray emission in the ROSAT All-Sky Survey data (RASS). The resulting flux-limited catalog of X-ray cluster surveys is complete to a limiting flux of ~3 × 10 –13 erg s –1 cm –2 and includes 15 clusters (7 newly discovered) with redshifts z ≤ 0.4. HectoMAP is a dense survey (~1200 galaxies deg –2) that provides ~50 members (median) in each X-ray cluster. We provide redshifts for the 1036 cluster members. Subaru/Hyper Suprime-Cam imaging covers three of the X-ray systems and confirms that they are impressivemore » clusters. The HectoMAP X-ray clusters have an L X–σ cl scaling relation similar to that of known massive X-ray clusters. The HectoMAP X-ray cluster sample predicts ~12,000 ± 3000 detectable X-ray clusters in RASS to the limiting flux, comparable with previous estimates.« less

Cluster-to-cluster transformation among Au6, Au8 and Au11 nanoclusters.

PubMed

Ren, Xiuqing; Fu, Junhong; Lin, Xinzhang; Fu, Xuemei; Yan, Jinghui; Wu, Ren'an; Liu, Chao; Huang, Jiahui

2018-05-22

We present the cluster-to-cluster transformations among three gold nanoclusters, [Au6(dppp)4]2+ (Au6), [Au8(dppp)4Cl2]2+ (Au8) and [Au11(dppp)5]3+ (Au11). The conversion process follows a rule that states that the transformation of a small cluster to a large cluster is achieved through an oxidation process with an oxidizing agent (H2O2) or with heating, while the conversion of a large cluster to a small one occurs through a reduction process with a reducing agent (NaBH4). All the reactions were monitored using UV-Vis spectroscopy and ESI-MS. This work may provide an alternative approach to the synthesis of novel gold nanoclusters and a further understanding of the structural transformation relationship of gold nanoclusters.

Reducing cognitive load while teaching complex instruction to occupational therapy students.

PubMed

Pociask, Fredrick D; DiZazzo-Miller, Rosanne; Samuel, Preethy S

2013-01-01

Cognitive load theory is a field of research used to improve the learning of complex cognitive tasks by matching instruction to the learner's cognitive architecture. We used an experimental posttest control-group design to test the effectiveness of instruction designed to reduce cognitive load (CL) and improve instructional effectiveness in teaching complex instruction to 24 first-year master's students under authentic classroom conditions. We modified historically taught instruction using an isolated-to-interacting-elements sequencing approach intended to reduce high CL levels. We compared control and modified instructional formats using written assessment scores, subjective ratings of CL, and task completion times. Analysis of variance revealed significant differences for postinstruction, posttest CL ratings, and delayed written posttest scores (p < .05). No significant differences were identified for posttest completion times. Findings suggest that this approach can be used to improve instructional efficiency in teaching human locomotion to occupational therapy students. Copyright © 2013 by the American Occupational Therapy Association, Inc.

Hubble tracks down a galaxy cluster's dark matter

NASA Astrophysics Data System (ADS)

2003-07-01

Unique mass map hi-res Size hi-res: 495 kb Credits: European Space Agency, NASA and Jean-Paul Kneib (Observatoire Midi-Pyrénées, France/Caltech, USA) Unique mass map This is a mass map of galaxy cluster Cl0024+1654 derived from an extensive Hubble Space Telescope campaign. The colour image is made from two images: a dark-matter map (the blue part of the image) and a 'luminous-matter' map determined from the galaxies in the cluster (the red part of the image). They were constructed by feeding Hubble and ground-based observations into advanced mathematical mass-mapping models. The map shows that dark matter is present where the galaxies clump together. The mass of the galaxies is shown in red, the mass of the dark matter in blue. The dark matter behaves like a 'glue', holding the cluster together. The dark-matter distribution in the cluster is not spherical. A secondary concentration of dark-matter mass is shown in blue to the upper right of the main concentration. Sky around galaxy cluster Cl0024+1654 hi-res Size hi-res: 3742 kb Credits: European Space Agency, NASA and Jean-Paul Kneib (Observatoire Midi-Pyrénées, France/Caltech, USA) Sky around galaxy cluster Cl0024+1654 This is a 2.5-degree field around galaxy cluster Cl0024+1654. The cluster galaxies are visible in the centre of the image in yellow. The image is a colour composite constructed from three Digitized Sky Survey 2 images: Blue (shown in blue), Red (shown in green), and Infrared (shown in red). HST observes shapes of more than 7000 faint background galaxies hi-res Size hi-res: 5593 kb Credits: European Space Agency, NASA and Jean-Paul Kneib (Observatoire Midi-Pyrénées, France/Caltech, USA) Hubble observes shapes of more than 7000 faint background galaxies Five days of observations produced the altogether 39 Hubble Wide Field and Planetary Camera 2 (WFPC2) images required to map the mass of the galaxy cluster Cl0024+1654. Each WFPC2 image has a size of about 1/150 the diameter of the full Moon. In total, the image measures 27 arc-minutes across, slightly smaller than the diameter of the Moon. The observed warped shapes of more than 7000 faint background galaxies have been converted into a unique map of the dark matter in the cluster. The images were taken through a red filter and have been reduced a factor of two in size. Ground-based image of the galaxy cluster C10024+1654 hi-res Size hi-res: 4699 kb Credits: European Space Agency, NASA and Jean-Paul Kneib (Observatoire Midi-Pyrénées, France/Caltech, USA) Ground-based image of the galaxy cluster C10024+1654 This is a colour image of the galaxy cluster C10024+1654 obtained with the CFHT12k camera at the Canada France Hawaii Telescope on Mauna Kea (Hawaii). The cluster clearly appears as a concentration of yellow galaxies in the centre of this image although cluster galaxies actually extend at least to the edge of this image. This image measures 21 x 21 arc-minutes. Clusters of galaxies are the largest stable systems in the Universe. They are like laboratories for studying the relationship between the distributions of dark and visible matter. In 1937, Fritz Zwicky realised that the visible component of a cluster (the thousands of millions of stars in each of the thousands of galaxies) represents only a tiny fraction of the total mass. About 80-85% of the matter is invisible, the so-called 'dark matter'. Although astronomers have known about the presence of dark matter for many decades, finding a technique to view its distribution is a much more recent development. Led by Drs Jean-Paul Kneib (from the Observatoire Midi-Pyrénées, France/Caltech, United States), Richard Ellis and Tommaso Treu (both Caltech, United States), the team used the NASA/ESA Hubble Space Telescope to reconstruct a unique 'mass map' of the galaxy cluster CL0024+1654. It enabled them to see for the first time on such large scales how mysterious dark matter is distributed with respect to galaxies. This comparison gives new clues on how such large clusters assemble and which role dark matter plays in cosmic evolution. Tracing dark matter is not an easy task because it does not shine. To make a map, astronomers must focus on much fainter, more distant galaxies behind the cluster. The shapes of these distant systems are distorted by the gravity of the foreground cluster. This distortion provides a measure of the cluster mass, a phenomenon known as 'weak gravitational lensing'. To map the dark matter of CL0024+1654, more than 120 hours observing time was dedicated to the team. This is the largest amount of Hubble time ever devoted to studying a galaxy cluster. Despite its distance of 4.5 thousand million light-years (about one third of the look-back time to the Big Bang) from Earth, this massive cluster is wide enough to equal the angular size of the full Moon. To make a mass map that covers the entire cluster required observations that probed 39 regions of the galaxy cluster. The investigation has resulted in the most comprehensive study of the distribution of dark matter in a galaxy cluster so far and extends more than 20 million light-years from its centre, much further than previous investigations. Many groups of researchers have tried to perform these types of measurements with ground-based telescopes. However, the technique relies heavily on finding the exact shapes of distant galaxies behind the cluster. The sharp vision of a space telescope such as NASA-ESA's Hubble is superior. The study reveals that the density of dark matter on large scales drops sharply with distance from the cluster centre. This confirms a picture that has emerged from recent detailed computer simulations. As Richard Ellis says: "Although theorists have predicted the form of dark matter in galaxy clusters from numerical simulations based on the effects of gravity alone, this is the first time we have convincing observations to back them up. Some astronomers had speculated clusters might contain large reservoirs of dark matter in their outermost regions. Assuming our cluster is representative, this is not the case." The team noticed that dark matter appears to clump together in their map. For example, they found concentrations of dark matter associated with galaxies known to be slowly falling into the system. Generally, the researchers found that the dark matter traces the cluster galaxies remarkably well and over an unprecedented range of physical scales. "When a cluster is being assembled, the dark matter will be smeared out between the galaxies where it acts like a glue," says Jean-Paul Kneib."The overall association of dark matter and 'glowing matter' is very convincing evidence that structures like CL0024+1654 grow by merging of smaller groups of galaxies that were already bound by their own dark matter components." Future investigations using Hubble's new camera, the Advanced Camera for Surveys (ACS), will extend this work when Hubble is trained on a second galaxy cluster later this year. ACS is 10 times more efficient than the Wide Field and Planetary Camera 2 used for this investigation, making it possible to study finer mass clumps in galaxy clusters and help work out how the clusters are assembled. Notes for editors The team is composed of Jean-Paul Kneib (Observatoire Midi-Pyrénées, France/Caltech, United States), Patrick Hudelot (Observatoire Midi-Pyrénées, France),Richard S. Ellis (Caltech, United States), Tommaso Treu (Caltech, United States), Graham P. Smith (Caltech, United States), Phil Marshall (MRAO, United Kingdom), Oliver Czoske (Institut für Astrophysik und Extraterrestrische Forschung, Germany), Ian Smail (University of Durham, United Kingdom) and Priya Natarajan (Yale University, United States). The ground-based observations were done with the Canada-France-Hawaii Telescope (CFHT) using the CFHT12k camera, the Keck telescopes, and the Hale 5-metre telescope at Palomar, United States, using the WIRC camera. The team will present their study at the General Assembly of the International Astronomical Union. They will also publish their results in a forthcoming issue of Astrophysical Journal. For broadcasters, animations of the discovery and general Hubble Space Telescope background footage is available from http://www.spacetelescope.org/video/releases.html Image credit: European Space Agency, NASA and Jean-Paul Kneib (Observatoire Midi-Pyrénées, France/Caltech, United States)

Synthesis and Characterization of Atomically Precise Copper Nanoclusters

NASA Astrophysics Data System (ADS)

Nguyen, Thuy-Ai Dang

The reactivity of MCl3(eta1-TEMPO) (M = Fe, Al; TEMPO = 2,2,6,6-tetramethylpiperidine-N-oxyl) with a variety of lignin models, including 3,4-dimethoxybenzyl alcohol, 1-phenyl-2-phenoxyethanol and 1,2-diphenyl-2-methoxyethanol is investigated. FeCl3(TEMPO) is effective in cleanly converting these substrates to the corresponding aldehyde or ketone. AlCl3(eta1-TEMPO) is also able to oxidize these substrates, however in a few instances the products of over-oxidation are also observed. In contrast, 2-phenoxyethanol is not oxidized by MCl 3(eta1-TEMPO); instead it likely coordinates to the metal center, forming a 2-phenoxyethoxide complex. Oxidation of activated alkanes by MCl3(eta1-TEMPO) suggests that the reactions proceed via an initial 1-electron concerted proton-electron transfer (CPET) event. Finally, reaction of TEMPO with FeBr3 in Et 2O results in oxidation of the solvent. The copper hydride clusters [Cu14H12(phen) 6(PPh3)4][X]2 (X = Cl, OTf) are obtained in good yields by reaction of [(Ph3P)CuH]6 with 1,10-phenanthroline, in the presence of a halide or pseudohalide source. [Cu14H 12(phen)6(PPh3)4][Cl]2 reacts with CO2 in CH2Cl2, in the presence of excess Ph3P, to form the formate complex, [(Ph3P)2Cu(kappa 2-O2CH)], along with [(phen)(Ph3P)CuCl]. [Cu25H22(PPh3)12]Cl and [Cu 18H17(PPh3)10]Cl, are isolated from the reaction of Cu(OAc) and CuCl with Ph2SiH2, in the presence of PPh3. [Cu25H22(PPh3) 12]Cl formally features partial Cu(0) character. Subsequent reaction with Ph2phen resulted in the isolation of [Cu29Cl 4H22(Ph2phen)12]Cl (Ph2phen = 4,7-diphenyl-1,10-phenanthroline), in good yields. A time-resolved kinetic evaluation of the formation of [Cu29Cl4H22(Ph 2phen)12]Cl reveals that the mechanism of cluster growth is initiated by rapid ligand exchange, followed by slower extrusion of CuCl monomer, transport, and subsequent capture by intact clusters. Two Cu26 nanoclusters, tentatively formulated as [Cu 26H17(PPh3)9(OAc)3] and [Cu26H22(PPh3)10(OAc)2], are isolated from the reaction of Cu(OAc) with Ph2SiH2, in the presence of PPh3. As formulated, [Cu26H 17(PPh3)9(OAc)3] features a magic number N* = 6, which is unprecedented for a copper nanocluster. XANES supports an assignment of more Cu(0) character than [Cu25H 22(PPh3)12]Cl (N* = 2) for this complex. A critical reevaluation of the synthesis and characterization of Cu 8(MPP)4 is reported. This product was reportedly formed by reaction of Cu(NO3)2 with 2-mercapto-5-n-propylpyrimidine (HMPP) and NaBH4, in ethanol, in the presence of [N(C8H 17)4][Br]. However, upon reevaluation, no experimental evidence to support the existence of Cu8(MPP)4 was found. Instead, the material isolated from this reaction is a complex mixture containing [N(C8H17)4]+, Br -, NO3-, 2-mercapto-5-n-propyl-1,6-dihydropyrimidine (H2MPP*), along with the Cu(I) coordination polymer, [Cu(MPP)]n. H2MPP* and [Cu(MPP)]n, as well as the related Cu(I) coordination complexes, [Cu(HMPP*)]n and [Cu2(MPP*)]n are independently synthesized to support these conclusions.

Ab Initio Studies of Fluorine and Chlorine Oxide and Nitrogen Oxide Species of Interest in Stratospheric Chemistry

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Langhoff, Stephen R. (Technical Monitor)

1995-01-01

The quality of fundamental vibrational frequencies determined using the CCSD(T) method (singles and doubles coupled-cluster theory plus a perturbational estimate of the effects of connected triple excitations) is shown to be very good, usually predicting band centers to within plus or minus 8 per centimeter. This approach is applied to several molecules of interest in atmospheric chemistry, such as HNO, cis-FONO, cis-ClONO, and ClOOH. The HNO molecule displays a large and unusual anharmonicity in the H-N stretch. For the calculation of ultraviolet (UV) spectra, the linear response CCSD (LRCCSD) approach (which is equivalent to EOM-CCSD) has been shown to yield vertical excitation energies that are accurate to approximately equal to 0.1 eV for singly excited electronic states. This method together with more approximate methods is used to examine the UV spectra of several molecules important in stratospheric chemistry, including HOCl, Cl2O, ClONO2, HONO2, ClOOCl, ClOOH, and HOOH.

Cyclic electron transfer around Photosystem I mediated by 2,3-dichloro-1,4-naphtoquinone and ascorbate.

PubMed

Petrova, Anastasia A; Trubitsin, Boris V; Boskhomdzhieva, Baina K; Semenov, Alexey Yu; Tikhonov, Alexander N

2018-06-09

In this work, we investigated electron transport around the photosynthetic pigment-protein complex of Photosystem I (PS I) mediated by external high-potential electron carrier 2,3-dichloro-1,4-naphtoquinone (Cl 2 NQ) and ascorbate. It has been demonstrated that the oxidized species of Cl 2 NQ and ascorbate serve as intermediates capable of accepting electrons from the iron-sulfur cluster F X of PS I. Reduced species of Cl 2 NQ and ascorbate are oxidized by photooxidized PS I primary donor P700+ and/or by molecular oxygen. We have found the synergistic effect of Cl 2 NQ and ascorbate on the rate of P700+ reduction. Accelerated electron flow to P700+, observed in the presence of both Cl 2 NQ and ascorbate, is explained by an increase in the reduced species of Cl 2 NQ due to electron transfer from ascorbate. © 2018 Federation of European Biochemical Societies.

Ir Spectroscopic Studies on Microsolvation of HCl by Water

NASA Astrophysics Data System (ADS)

Mani, Devendra; Schwan, Raffael; Fischer, Theo; Dey, Arghya; Kaufmann, Matin; Redlich, Britta; van der Meer, Lex; Schwaab, Gerhard; Havenith, Martina

2016-06-01

Acid dissociation reactions are at the heart of chemistry. These reactions are well understood at the macroscopic level. However, a microscopic level understanding is still in the early stages of development. Questions such as 'how many H_2O molecules are needed to dissociate one HCl molecule?' have been posed and explored both theoretically and experimentally.1-5 Most of the theoretical calculations predict that four H_2O molecules are sufficient to dissociate one HCl molecule, resulting in the formation of a solvent separated H_3O+(H_2O)3Cl- cluster.1-3 IR spectroscopy in helium nanodroplets has earlier been used to study this dissociation process.3-5 However, these studies were carried out in the region of O-H and H-Cl stretch, which is dominated by the spectral features of undissociated (HCl)m-(H_2O)n clusters. This contributed to the ambiguity in assigning the spectral features arising from the dissociated cluster.4,5 Recent predictions from Bowman's group, suggest the presence of a broad spectral feature (1300-1360 wn) for the H_3O+(H_2O)3Cl- cluster, corresponding to the umbrella motion of H_3O+ moiety.6 This region is expected to be free from the spectral features due to the undissociated clusters. In conjunction with the FELIX laboratory, we have performed experiments on the (HCl)m(H_2O)n (m=1-2, n≥4) clusters, aggregated in helium nanodroplets, in the 900-1700 wn region. Mass selective measurements on these clusters revealed the presence of a weak-broad feature which spans between 1000-1450 wn and depends on both HCl as well as H_2O concentration. Measurements are in progress for the different deuterated species. The details will be presented in the talk. References: 1) C.T. Lee et al., J. Chem. Phys., 104, 7081 (1996). 2) H. Forbert et al., J. Am. Chem. Soc., 133, 4062 (2011). 3) A. Gutberlet et al., Science, 324, 1545 (2009). 4) S. D. Flynn et al., J. Phys. Chem. Lett., 1, 2233 (2010). 5) M. Letzner et al., J. Chem. Phys., 139, 154304 (2013). 6) J. M. Bowman et al., Phys. Chem. Chem. Phys., 17, 6222 (2015).

A Didactic Analysis of Content Development during Cooperative Learning in Primary Physical Education

ERIC Educational Resources Information Center

Wallhead, Tristan; Dyson, Ben

2017-01-01

The purpose of this study was to use the Joint Action Studies in Didactics (JASD) to understand how teachers' and students' interactions co-construct knowledge during Cooperative Learning (CL). The basis of CL is that students learn with and from each other through a structured interdependent relationship. A case study approach was used to examine…

Theoretical analysis of the formation driving force and decreased sensitivity for CL-20 cocrystals

NASA Astrophysics Data System (ADS)

Zhou, Jun-Hong; Shi, Liang-Wei; Zhang, Chao-Yang; Li, Hong-Zhen; Chen, Min-Bo; Chen, Wei-Ming

2016-07-01

Methods that analyze the driving force in the formation of the new energetic cocrystal are proposed in this paper. Various intermolecular interactions in the 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo [5.5.0.05,9.03,11]dodecane (CL-20) cocrystals are compared with those in pure CL-20 and coformer crystals by atom in molecule (AIM) and Hirshfeld surface methods under the supramolecular cluster model. The driving force in the formation of the CL-20 cocrystals is analyzed. The main driving force in the formation of the cocrystal CL-20/HMX comes from the O···H interactions, that in the formation of the cocrystal CL-20/TNT from the O···H and C···O interactions, and that in the formation of the cocrystal CL-20/BTF from the N···H and N···O interactions. Other interactions in the CL-20 cocrystals only contribute to their stabilization. At the same time, the reasons for the decreased impact sensitivity of the CL-20 cocrystals are also analyzed. They are the strengthening of the intermolecular interactions, the reducing of the free space, and the changing of the surrounding of CL-20 molecule in the CL-20 cocrystals in comparison with those in the pure CL-20 crystal.

Responses of primate cortical neurons to unitary and binary taste stimuli.

PubMed

Miyaoka, Y; Pritchard, T C

1996-01-01

1. The responses of 126 neurons in primary gustatory cortices of two rhesus monkeys were recorded during sapid stimulation of the tongue with 18 taste stimuli. Ten of these stimuli were dissolved in distilled water (DW): 1.0 M sucrose (Suc), 0.1 M and 0.03 M sodium chloride (NaCl), 0.003 M hydrochloric acid (HCl), 0.001 M quinine hydrochloride (QHCl), 0.03 M monosodium glutamate (MSG), 0.03 M polycose, 0.3 M glycine, 0.1 M proline, and 0.1 M malic acid. Seven other stimuli were dissolved in 0.03 M MSG; the last stimulus was a mixture of 1.0 M Suc and 0.03 M NaCl. 2. The average spontaneous rate (2.2 +/- 0.2 spikes/s, mean +/- SE) and response to DW (2.5 +/- 0.2) of these 126 neurons was low but within the range previously reported for neurons in primate taste cortex. Suc was the most effective stimulus for 24.1% of the neurons tested followed by NaCl (15.7%), QHCl (14.8%), HCl (11.1%), MSG (10.2%), and other miscellaneous unitary gustatory stimuli (8.3%). Binary taste mixtures were the most effective stimuli for 15.7% of the sample. The net responses (corrected for DW, in spikes/s) for Suc-best (3.3), NaCl-best (4.3), HCl-best (3.4), QHCl-best (2.3), and MSG-best (4.1) were sluggish, but comparable with that reported previously. 3. The response breadth of the 82 neurons that responded best to either Suc, NaCl, HCl, or QHCl measured with the entropy coefficient indicated a moderate response breadth for these neurons (mean = 0.79; range = 0.30-0.98). According to the response criteria adopted in this experiment (water response +/- 1.96 SD), however, 81 of these 82 neurons (98.1%) responded to only one or two of the four basic taste stimuli. The disparity between the entropy- and criterion-based measures of response derive from the nature of the two statistics. Adjustments that would make the entropy statistic less inclusive and the definition of a response according to statistical criteria less exclusive would increase their concordance. 4. Three multivariate statistics (cluster, principal axis factor, and multidimensional analysis) were used to analyze the data. Cluster analysis enabled us to divide the 82 taste neurons into groups on the basis of response similarity. Each of the four largest groups was dominated by neurons that responded best to one of the four basic taste stimuli: Suc, NaCl, QHCl, and HCl (ranked in descending order); the fifth largest cluster contained neurons that responded best to MSG. Principal axis factor analysis demonstrated that 80.8% of the total variance could be accounted for by three factors. Neurons responding best to Suc, NaCl, and QHCl each were closely associated with one of those three factors, but the loadings of the HCl-best neurons were evenly distributed across all three factors. The communality coefficient of these three factors was > 80% for the Suc-, NaCl-, HCl-, and QHCl-best neurons; the MSG-best neurons, by comparison, had very few high loadings on any of these three factors and a correspondingly low communality coefficient of 40.4%, a difference that was statistically significant from the other four groups. Thus the three factors related to Suc-, NaCl-, HCl-, and QHCl-best neurons are not relevant to MSG-best neurons. We used multidimensional analysis to arrange the neurons that responded best to Suc, NaCl, HCl, QHCl, and MSG into five loosely arranged and partially overlapping clusters. A multidimensional space based on stimulus similarity showed that MSG was as different from the four basic taste stimuli as they were from one another. 5. Mixture suppression, a common observation in human psychophysical experiments, was examined at the neurophysiological level by including binary tastants in the stimulus battery. The average response of 19 Suc-best neurons to 1.0 M Suc (4.1 spikes/s) decreased to near 0 when the solvent was changed from DW to either 0.03 M MSG or 0.03 M NaCl. Similar decrements were observed in NaCl- and MSG-best neurons tested with Suc/NaCl mixtures.

Influence of electrolytes on the microenvironment of F127 triblock copolymer micelles: a solvation and rotational dynamics study of coumarin dyes.

PubMed

Kumbhakar, Manoj; Ganguly, Rajib

2007-04-19

Dynamic Stokes' shift and fluorescence anisotropy measurements of coumarin 153 (C153) and coumarin 151 (C151) as fluorescence probes have been carried out to understand the influence of electrolytes (NaCl and LiCl) on the hydration behavior of aqueous (ethylene oxide)100-(propylene oxide)70-(ethylene oxide)100 (EO100-PO70-EO100, F127) block copolymer micelles. A small blue shift in the fluorescence spectra of C153 has been observed in presence of electrolytes due to the dehydration of the oxyethylene chains in the PEO-PPO region, although fluorescence spectra of C151 remain unaltered. The close vicinity of bulk water for C151 probably negates the effect of dehydration in the PEO region. Fluorescence anisotropy measurements indicate a gradual increase in microviscosity with electrolyte concentrations. The partial collapse of copolymer blocks in the presence of electrolytes has been suggested as a reason for the increase in microviscosity along with the strong hydration of ions in the corona region. The interplay between the ion hydration and the mechanically trapped water content, and specific interaction of ions, such as complexation of Li+ ions with the copolymer block, is found to control solvation dynamics in the corona region. In addition to that, it has been established that Na+ ions reside deep into the corona region whereas Li+ ions prefer to reside closer to the surface. Owing to its higher lyotropicity, LiCl influences the corona hydration to a greater extent than NaCl and sets in micelle-micelle interaction above the 2 M LiCl concentration, as reflected in the saturation of solvation time constants. The formation of larger clusters of F127 micelles above 2 M LiCl has been confirmed by dynamic light scattering measurements; however, such cluster formation is not evident with NaCl.

ASCA observations of distant clusters of galaxies.

NASA Astrophysics Data System (ADS)

Tsuru, T.; Koyama, K.; Hughes, J. P.; Arimoto, N.; Kii, T.; Hattori, M.

It is important not only in studies of clusters of galaxies but also in cosmological aspects to investigate the evolution of X-ray properties of clusters of galaxies. ASCA enables detailed spectral studies on distant clusters and the evolution of temperature for the first time. The authors present here "preliminary" results of ASCA observation of 17 distant (z = 0.14 - 0.55) clusters of galaxies. The sample includes: Cl0016+16 Abell 370, Abell 1995, Abell 959, ACGG 118, Zw 3136, EMSS 1305.4+2941, Abell 1851, Abell 963, Abell 2163, EMSS 0839.8+2938, Abell 665, Abell 1689, Abell 2218, Abell 586, Abell 1413, Abell 1895. The cosmological constants of H0 = 50 km/s/Mpc and q0 = 0.5 are adopted in this paper.

Computational modeling of Metal-Organic Frameworks

NASA Astrophysics Data System (ADS)

Sung, Jeffrey Chuen-Fai

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

A Fast Projection-Based Algorithm for Clustering Big Data.

PubMed

Wu, Yun; He, Zhiquan; Lin, Hao; Zheng, Yufei; Zhang, Jingfen; Xu, Dong

2018-06-07

With the fast development of various techniques, more and more data have been accumulated with the unique properties of large size (tall) and high dimension (wide). The era of big data is coming. How to understand and discover new knowledge from these data has attracted more and more scholars' attention and has become the most important task in data mining. As one of the most important techniques in data mining, clustering analysis, a kind of unsupervised learning, could group a set data into objectives(clusters) that are meaningful, useful, or both. Thus, the technique has played very important role in knowledge discovery in big data. However, when facing the large-sized and high-dimensional data, most of the current clustering methods exhibited poor computational efficiency and high requirement of computational source, which will prevent us from clarifying the intrinsic properties and discovering the new knowledge behind the data. Based on this consideration, we developed a powerful clustering method, called MUFOLD-CL. The principle of the method is to project the data points to the centroid, and then to measure the similarity between any two points by calculating their projections on the centroid. The proposed method could achieve linear time complexity with respect to the sample size. Comparison with K-Means method on very large data showed that our method could produce better accuracy and require less computational time, demonstrating that the MUFOLD-CL can serve as a valuable tool, at least may play a complementary role to other existing methods, for big data clustering. Further comparisons with state-of-the-art clustering methods on smaller datasets showed that our method was fastest and achieved comparable accuracy. For the convenience of most scholars, a free soft package was constructed.

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

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

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

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

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

DOE PAGES

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

2017-07-03

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

Advanced zinc-doped adhesives for high performance at the resin-carious dentin interface.

PubMed

Toledano, Manuel; Osorio, Raquel; Osorio, Estrella; García-Godoy, Franklin; Toledano-Osorio, Manuel; Aguilera, Fátima S

2016-09-01

The purpose of this study was to evaluate the remineralization ability of an etch-and-rinse Zn-doped resin applied on caries-affected dentin (CAD). CAD surfaces were subjected to: (i) 37% phosphoric acid (PA) or (ii) 0.5M ethylenediaminetetraacetic acid (EDTA). 10wt% ZnO nanoparticles or 2wt% ZnCl2 were added into the adhesive Single Bond (SB), to create the following groups: PA+SB, PA+SB-ZnO, PA+SB-ZnCl2, EDTA+SB, EDTA+SB-ZnO, EDTA+SB-ZnCl2. Bonded interfaces were submitted to mechanical loading or stored during 24h. Remineralization of the bonded interfaces was studied by AFM nano-indentation (hardness and Young׳s modulus), Raman spectroscopy [mapping with principal component analysis (PCA), and hierarchical cluster analysis (HCA)] and Masson׳s trichrome staining technique. Dentin samples treated with PA+SB-ZnO attained the highest values of nano-mechanical properties. Load cycling increased both mineralization and crystallographic maturity at the interface; this effect was specially noticed when using ZnCl2-doped resin in EDTA-treated carious dentin. Crosslinking attained higher frequencies indicating better conformation and organization of collagen in specimens treated with PA+SB-ZnO, after load cycling. Trichrome staining technique depicted a deeper demineralized dentin fringe that became reduced after loading, and it was not observable in EDTA+SB groups. Multivariate analysis confirmed de homogenizing effect of load cycling in the percentage of variances, traces of centroids and distribution of clusters, especially in specimens treated with EDTA+SB-ZnCl2. Copyright © 2016 Elsevier Ltd. All rights reserved.

NaCl nucleation from brine in seeded simulations: Sources of uncertainty in rate estimates.

PubMed

Zimmermann, Nils E R; Vorselaars, Bart; Espinosa, Jorge R; Quigley, David; Smith, William R; Sanz, Eduardo; Vega, Carlos; Peters, Baron

2018-06-14

This work reexamines seeded simulation results for NaCl nucleation from a supersaturated aqueous solution at 298.15 K and 1 bar pressure. We present a linear regression approach for analyzing seeded simulation data that provides both nucleation rates and uncertainty estimates. Our results show that rates obtained from seeded simulations rely critically on a precise driving force for the model system. The driving force vs. solute concentration curve need not exactly reproduce that of the real system, but it should accurately describe the thermodynamic properties of the model system. We also show that rate estimates depend strongly on the nucleus size metric. We show that the rate estimates systematically increase as more stringent local order parameters are used to count members of a cluster and provide tentative suggestions for appropriate clustering criteria.

Ionic Vapor Composition in Critical and Supercritical States of Strongly Interacting Ionic Compounds.

PubMed

Chaban, Vitaly V; Prezhdo, Oleg V

2016-05-12

The critical point, CP (T, P), of the phase diagram quantifies the minimum amount of kinetic energy needed to prevent a substance from existing in a condensed phase. Therefore, the CP is closely related to the properties of the fluid far below the critical temperature. Approaches designed to predict thermophysical properties of a system necessarily aim to provide reliable estimates of the CP. Vice versa, CP estimation is impossible without knowledge of the vapor phase behavior. We report ab initio Born-Oppenheimer molecular dynamics (BOMD) simulations of sodium and potassium chlorides, NaCl and KCl, at and above their expected CPs. We advance the present knowledge regarding the existence of ionic species in the vapor phase by establishing significant percentages of atomic clusters: 29-30% in NaCl and 34-38% in KCl. A neutral pair of counterions is the most abundant cluster in the ionic vapors (ca. 35% of all vaporized ions exist in this form). Unexpectedly, an appreciable fraction of clusters is charged. The ionic vapor composition is determined by the vapor density, rather than the nature of the alkali ion. The previously suggested CPs of NaCl and KCl appear overestimated, based on the present simulations. The reported results offer essential insights into the ionic fluid properties and assist in development of thermodynamic theories. The ab initio BOMD method has been applied to investigate the vapor phase composition of an ionic fluid for the first time.

Impact of leather industries on fluoride dynamics in groundwater around a tannery cluster in South India.

PubMed

Sajil Kumar, P J

2013-03-01

The aim of this study was to investigate the controls of leather industries on fluoride contamination in and around a tannery cluster in Vaniyambadi. Hydrochemical analysis, mineral saturation indices and statistical methods were used to evaluate the intervening factors that controls the contamination processes. Fluoride in groundwater is exceeded the WHO guideline value (1.5 mg/L), in 62 % of the samples, mostly with Na-HCO3 and Na-Cl type of water. Results of the principal component analysis grouped Na, F, HCO3 and NO3 under component 1. This result was in agreement with the cross plot indicating high positive correlation between F and Na (r (2)  = 0.87), HCO3 (r (2)  = 0.84) and NO3 (r (2)  = 0.55). Fluorite (CaF2) and Halite (NaCl) was undersaturated, while calcite (CaCO3) was oversaturated for all the samples. This suggest more dissolution of F-rich minerals under the active supports of Na. Bivariate plots of Na versus Cl and Na + K versus HCO3 showed a combined origin of Na from tannery effluent as well as silicate weathering. Two major clusters, based on the Na, HCO3 and F concentration showed that groundwater is affected by tanneries and silicate weathering. Fluoride concentration in 38 % of samples (n = 5) have significantly affected by the high Na concentration from tanneries.

Discovery of Misaligned Radio Emission in Galaxy Cluster Zw CL 2971

NASA Astrophysics Data System (ADS)

Wallack, Nicole; Migliore, C.; Resnick, A.; White, T.; Liu, C.

2014-01-01

In a search for green valley galaxies with radio loud active galactic nuclei (AGN), we found one such object that may be associated with the cluster of galaxies Zw CL 2971 (z = 0.098). Serendipitously, we found in this cluster a strong bent-jet radio source associated with the cluster's central dominant (cD) elliptical galaxy. The center of the cD galaxy is coincident (0.35 arcsecond) with the second brightest spot of radio continuum emission (34.3 mJy as measured by FIRST), but the brightest radio hotspot (66.8 mJy) is offset by 4.6 arcseconds 9 kpc at the redshift of the cluster) and has no visible counterpart. Furthermore, the optical spectrum of the cD galaxy has only weak emission lines, suggesting the absence of a currently active nucleus. It is possible that the counterpart is optically faint (possibly due to a recently completed duty cycle) or is not visible due to movement or position. If the radio source is a distant background object, then the brighter jet is most likely magnified by gravitational lensing. If the radio source is located at the redshift of the cluster, then the brighter radio jet trails backward toward and past the cD galaxy to a distance of ~120 kpc, while the fainter jet is bent at a nearly orthogonal angle, ~40 kpc away from the brightest radio hotspot, in the opposite direction. These geometric offsets could be used to constrain the duty cycle history of the AGN creating the radio emission, as well as the dynamical properties of the intracluster medium.

Surface enhanced Raman spectroscopy (SERS) from a molecule adsorbed on a nanoscale silver particle cluster in a holographic plate

NASA Astrophysics Data System (ADS)

Jusinski, Leonard E.; Bahuguna, Ramen; Das, Amrita; Arya, Karamjeet

2006-02-01

Surface enhanced Raman spectroscopy has become a viable technique for the detection of single molecules. This highly sensitive technique is due to the very large (up to 14 orders in magnitude) enhancement in the Raman cross section when the molecule is adsorbed on a metal nanoparticle cluster. We report here SERS (Surface Enhanced Raman Spectroscopy) experiments performed by adsorbing analyte molecules on nanoscale silver particle clusters within the gelatin layer of commercially available holographic plates which have been developed and fixed. The Ag particles range in size between 5 - 30 nanometers (nm). Sample preparation was performed by immersing the prepared holographic plate in an analyte solution for a few minutes. We report here the production of SERS signals from Rhodamine 6G (R6G) molecules of nanomolar concentration. These measurements demonstrate a fast, low cost, reproducible technique of producing SERS substrates in a matter of minutes compared to the conventional procedure of preparing Ag clusters from colloidal solutions. SERS active colloidal solutions require up to a full day to prepare. In addition, the preparations of colloidal aggregates are not consistent in shape, contain additional interfering chemicals, and do not generate consistent SERS enhancement. Colloidal solutions require the addition of KCl or NaCl to increase the ionic strength to allow aggregation and cluster formation. We find no need to add KCl or NaCl to create SERS active clusters in the holographic gelatin matrix. These holographic plates, prepared using simple, conventional procedures, can be stored in an inert environment and preserve SERS activity after several weeks subsequent to preparation.

Tetravalent Ce in the Nitrate-Decorated Hexanuclear Cluster [Ce 6 (μ 3 -O) 4 (μ 3 -OH) 4 ] 12+ : A Structural End Point for Ceria Nanoparticles

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

Estes, Shanna L.; Antonio, Mark R.; Soderholm, L.

2016-03-17

We describe the synthesis and characterization of three glycine-stabilized hexanuclear Cely cluster compounds, each containing the [Ce-6(mu(3)-O)(4)(mu(3)-OH)(4)](12+) core structure. Crystallized from aqueous nitrate solutions with pH < 0, the core cluster structures exhibit variable decoration by nitrate, glycine, and water ligands depending on solution conditions, where increased nitrate and glycine decoration of the cluster core was observed for crystals synthesized at high Ce and nitrate concentrations. No other crystalline products were observed using this synthetic route. In addition to confirming the tetravalent oxidation state of cerium in one of the reported clusters, cyclic voltammetry also indicates that Ce-IV is reducedmore » at similar to+0.60 V vs Ag/AgCl (3 M NaCl), which is significantly less than the standard electrode potential. This large decrease in the Ce-IV/Ce-III reduction potential suggests that Ce-IV is significantly stabilized relative to Ce-III within the examined cluster. These compounds are discussed in terms of their importance as small, end member, ceric oxide nanoparticles. Single-crystal structural solutions, together with voltammetry and electrolysis data, permit the decoupling of Ce-III defects and substoichiometry. In addition, Ce-Ce distances can be used to determine an "effective" CeO2-x lattice constant, providing a simple method for comparing literature descriptions. The results are discussed in terms of their potential implications for the mechanisms by which nanoparticle ceria serve as catalysts and oxygen-storage materials.« less

Tracking Undergraduate Student Achievement in a First-Year Physiology Course Using a Cluster Analysis Approach

ERIC Educational Resources Information Center

Brown, S. J.; White, S.; Power, N.

2015-01-01

A cluster analysis data classification technique was used on assessment scores from 157 undergraduate nursing students who passed 2 successive compulsory courses in human anatomy and physiology. Student scores in five summative assessment tasks, taken in each of the courses, were used as inputs for a cluster analysis procedure. We aimed to group…

Nucleophilic ring opening of bridging thietanes in open triosmium cluster complexes

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

Adams, R.D.; Belinski, J.A.

1992-07-01

The complexes Os{sub 3}(CO){sub 9}({mu}{sub 3}-S)[{mu}-SCH{sub 2}CMe{sub 2}CMe{sub 2}CH{sub 2}] (1) and Os{sub 3}(CO){sub 9}({mu}{sub 3}-S)[{mu}-SCH{sub 2}CH{sub 2}CH{sub 2}] (2) were obtained from the reactions of Os{sub 3}(CO){sub 10}({mu}{sub 3}-S) with 3,3-dimethylthietane (DMT) and thietane, respectively, at -42 {degree}C in the presence of Me{sub 3}NO. Compound 1 was characterized by a single-crystal X-ray diffraction analysis and was found to contain a DMT group bridging two of the nonbonded metal atoms in the open cluster of three metal atoms by using both lone pairs of electrons on the sulfur atom. Compound 1 reacted with bis(triphenylphosphine)nitrogen(1+) chloride ([PPN]Cl) at 25 {degrees}C tomore » yield the salt [PPN][Os{sub 3}-(CO){sub 9}({mu}-SCH{sub 2}CMe{sub 2}CH{sub 2}Cl)({mu}{sub 3}-S)] (3; 76%), in which the chloride ion was added to one of the methylene groups of the DMT ring in a process that caused the ring to open by cleavage of one of the carbon-sulfur bonds. A 4-chloro-3,3-dimethylpropanethiolate ligand bridges the open edge of the anionic triosmium cluster. Compound 3 was converted to the neutral complex Os{sub 3}(CO){sub 9}[{mu}-SCH{sub 2}CMe{sub 2}CMe{sub 2}CH{sub 2}Cl]({mu}{sub 3}-S)({mu}-H) (4) by reaction with HCl at 25 {degrees}C. Compound 4 is structurally similar to 3, except that is contains a hydride ligand bridging one of the two metal-metal bonds. Compounds 1 and 2 react with HCl in CH{sub 2}Cl{sub 2} solvent to yield the neutral compounds 4 and Os{sub 3}(CO){sub 9}[{mu}-SCH{sub 2}CH{sub 2}CH{sub 2}Cl]({mu}{sub 3}-S)({mu}-H) (5) in 89% and 90% yields, respectively, in one step. 11 refs., 3 figs., 10 tabs.« less

Exploring the musical taste of expert listeners: musicology students reveal tendency toward omnivorous taste

PubMed Central

Elvers, Paul; Omigie, Diana; Fuhrmann, Wolfgang; Fischinger, Timo

2015-01-01

Musicology students are engaged with music on an academic level and usually have an extensive musical background. They have a considerable knowledge of music history and theory and listening to music may be regarded as one of their primary occupations. Taken together, these factors qualify them as ≫expert listeners≪, who may be expected to exhibit a specific profile of musical taste: interest in a broad range of musical styles combined with a greater appreciation of ≫sophisticated≪ styles. The current study examined the musical taste of musicology students as compared to a control student group. Participants (n = 1003) completed an online survey regarding the frequency with which they listened to 22 musical styles. A factor analysis revealed six underlying dimensions of musical taste. A hierarchical cluster analysis then grouped all participants, regardless of their status, according to their similarity on these dimensions. The employed exploratory approach was expected to reveal potential differences between musicology students and controls. A three-cluster solution was obtained. Comparisons of the clusters in terms of musical taste revealed differences in the listening frequency and variety of appreciated music styles: the first cluster (51% musicology students/27% controls) showed the greatest musical engagement across all dimensions although with a tendency toward ≫sophisticated≪ musical styles. The second cluster (36% musicology students/46% controls) exhibited an interest in ≫conventional≪ music, while the third cluster (13% musicology students/27% controls) showed a strong liking of rock music. The results provide some support for the notion of specific tendencies in the musical taste of musicology students and the contribution of familiarity and knowledge toward musical omnivorousness. Further differences between the clusters in terms of social, personality, and sociodemographic factors are discussed. PMID:26347702

Determinants of the use of dietary supplements among secondary and high school students

PubMed

Gajda, Karolina; Zielińska, Monika; Ciecierska, Anna; Hamułka, Jadwiga

All over the world, including Poland, the sale of dietary supplements is increasing. More and more often, people including children and youths, use dietary supplements on their own initiative and without any medical indications or knowledge in this field. Analysis of the conditions of using the dietary supplements with vitamins and minerals among secondary school and high school students in Poland. The study included 396 students aged 13-18 years (249 girls and 147 boys). Authors’ questionnaire was used to evaluate the intake of dietary supplements. The use of cluster analysis allowed to distinguish groups of students with similar socio-demographic characteristics and the frequency of use of dietary supplements. In the studied population of students three clusters were created that significantly differed in socio-demographic characteristics. In cluster 1 and 2, were mostly students who used dietary supplements (respectively, 56% of respondents and 100%). In cluster 1 there were mostly students coming from rural areas and small city, with a worse financial situation, mainly boys (56%), while cluster 2 was dominated by girls (81%) living in a big city, coming from families with a good financial situation and who were more likely to be underweight (28.8%). In cluster 3 there were mostly older students (62%), not taking dietary supplements. In comparison to cluster 2, they had lower frequency of breakfast consumption (55% vs. 69%), but higher frequency of the consumption of soft drinks, fast-food, coffee as well as salt use at the table. The results show that the use of dietary supplements in adolescence is a common phenomenon and slightly conditioned by eating behaviors. This unfavorable habit of common dietary supplements intake observed among students indicates the need for education on the benefits and risks of the supplements usage.

Exploring the musical taste of expert listeners: musicology students reveal tendency toward omnivorous taste.

PubMed

Elvers, Paul; Omigie, Diana; Fuhrmann, Wolfgang; Fischinger, Timo

2015-01-01

Musicology students are engaged with music on an academic level and usually have an extensive musical background. They have a considerable knowledge of music history and theory and listening to music may be regarded as one of their primary occupations. Taken together, these factors qualify them as ≫expert listeners≪, who may be expected to exhibit a specific profile of musical taste: interest in a broad range of musical styles combined with a greater appreciation of ≫sophisticated≪ styles. The current study examined the musical taste of musicology students as compared to a control student group. Participants (n = 1003) completed an online survey regarding the frequency with which they listened to 22 musical styles. A factor analysis revealed six underlying dimensions of musical taste. A hierarchical cluster analysis then grouped all participants, regardless of their status, according to their similarity on these dimensions. The employed exploratory approach was expected to reveal potential differences between musicology students and controls. A three-cluster solution was obtained. Comparisons of the clusters in terms of musical taste revealed differences in the listening frequency and variety of appreciated music styles: the first cluster (51% musicology students/27% controls) showed the greatest musical engagement across all dimensions although with a tendency toward ≫sophisticated≪ musical styles. The second cluster (36% musicology students/46% controls) exhibited an interest in ≫conventional≪ music, while the third cluster (13% musicology students/27% controls) showed a strong liking of rock music. The results provide some support for the notion of specific tendencies in the musical taste of musicology students and the contribution of familiarity and knowledge toward musical omnivorousness. Further differences between the clusters in terms of social, personality, and sociodemographic factors are discussed.

Synergistic integration of ion-exchange and catalytic reduction for complete decomposition of perchlorate in waste water.

PubMed

Kim, You-Na; Choi, Minkee

2014-07-01

Ion-exchange has been frequently used for the treatment of perchlorate (ClO4(-)), but disposal or regeneration of the spent resins has been the major hurdle for field application. Here we demonstrate a synergistic integration of ion-exchange and catalytic decomposition by using Pd-supported ion-exchange resin as an adsorption/catalysis bifunctional material. The ion-exchange capability of the resin did not change after generation of the Pd clusters via mild ethanol reduction, and thus showed very high ion-exchange selectivity and capacity toward ClO4(-). After the resin was saturated with ClO4(-) in an adsorption mode, it was possible to fully decompose the adsorbed ClO4(-) into nontoxic Cl(-) by the catalytic function of the Pd catalysts under H2 atmosphere. It was demonstrated that prewetting the ion-exchange resin with ethanol significantly accelerate the decomposition of ClO4(-) due to the weaker association of ClO4(-) with the ion-exchange sites of the resin, which allows more facile access of ClO4(-) to the catalytically active Pd-resin interface. In the presence of ethanol, >90% of the adsorbed ClO4(-) could be decomposed within 24 h at 10 bar H2 and 373 K. The ClO4(-) adsorption-catalytic decomposition cycle could be repeated up to five times without loss of ClO4(-) adsorption capacity and selectivity.

Student Achievement in Identified Workforce Clusters: Understanding Factors that Influence Student Success

ERIC Educational Resources Information Center

D'Amico, Mark M.; Morgan, Grant B.; Robertson, Thashundray C.

2011-01-01

This study blends elements from two South Carolina Technical College System initiatives--Achieving the Dream and a workforce cluster strategy. Achieving the Dream is a national non-profit organization created to help technical and community college students succeed, particularly low-income students and students of color. This initiative, combined…

Developing an Inclusive Democratic Classroom "in Action" through Cooperative Learning

ERIC Educational Resources Information Center

Ferguson-Patrick, Kate

2012-01-01

This paper examines how Cooperative learning (CL) and democracy can be examined in relation to one another. CL supports a social constructivist view of students learning together to form knowledge through direct interaction. The overriding benefits of CL are that that it is an effective strategy for maximising both social and academic learning…

Assessing the Computational Literacy of Elementary Students on a National Level in Korea

ERIC Educational Resources Information Center

Jun, SooJin; Han, SunGwan; Kim, HyeonCheol; Lee, WonGyu

2014-01-01

Information and communication technology (ICT) literacy education has become an important issue, and the necessity of computational literacy (CL) has been increasing in our growing information society. CL is becoming an important element for future talents, and many countries, including the USA, are developing programs for CL education.…

Secondary ion mass spectra of gold super clusters up to 140000 Dalton

NASA Astrophysics Data System (ADS)

Feld, H.; Leute, A.; Rading, D.; Benninghoven, A.; Schmid, G.

1990-03-01

The bombardment of a two-shell gold complex (Au55(PPh3)12Cl6) with 10 keV Xe+-ions results in the formation of secondary ion masses up to 140000 u. These are by far the largest secondary ions observed under primary particle bombardment. The detection and identification of these ions with a Time-Of-Flight Secondary Ion Mass Spectrometer (TOF-SIMS) gives important information about the behavior of naked full-shell clusters. Au13 particles, generated from the Au55 cluster, serve as building blocks for a series of super-clusters up to (Au13)55. The results for keV-ion bombardment are compared to those for MeV-ion bombardment.

Synthesis of Dichlorophosphinenickel(II) Compounds and Their Catalytic Activity in Suzuki Cross-Coupling Reactions: A Simple Air-Free Experiment for Inorganic Chemistry Laboratory

ERIC Educational Resources Information Center

Thananatthanachon, Todsapon; Lecklider, Michelle R.

2017-01-01

In this experiment, students perform an air-free synthesis of three dichlorophosphinenickel(II) compounds, NiCl[subscript 2](PPh[subscript 3])[subscript 2], NiCl[subscript 2](PCy[subscript 3])[subscript 2], and NiCl[subscript 2](DPPE), using NiCl[subscript 2]·6H[subscript 2]O and the appropriate phosphine as the precursors. These colorful nickel…

On Being Psychically Gifted.

ERIC Educational Resources Information Center

Field, Susan

1986-01-01

The article discusses the physically gifted student, describing three students who exemplified a high degree of intuition and extrasensory perception of the world around them. Difficulties confronting such students are noted. (CL)

Preventing Learned Helplessness.

ERIC Educational Resources Information Center

Hoy, Cheri

1986-01-01

To prevent learned helplessness in learning disabled students, teachers can share responsibilities with the students, train students to reinforce themselves for effort and self control, and introduce opportunities for changing counterproductive attitudes. (CL)

Combinations of Personal Responsibility: Differences on Pre-service and Practicing Teachers’ Efficacy, Engagement, Classroom Goal Structures and Wellbeing

PubMed Central

Daniels, Lia M.; Radil, Amanda I.; Goegan, Lauren D.

2017-01-01

Pre-service and practicing teachers feel responsible for a range of educational activities. Four domains of personal responsibility emerging in the literature are: student achievement, student motivation, relationships with students, and responsibility for ones own teaching. To date, most research has used variable-centered approaches to examining responsibilities even though the domains appear related. In two separate samples we used cluster analysis to explore how pre-service (n = 130) and practicing (n = 105) teachers combined personal responsibilities and their impact on three professional cognitions and their wellbeing. Both groups had low and high responsibility clusters but the third cluster differed: Pre-service teachers combined responsibilities for relationships and their own teaching in a cluster we refer to as teacher-based responsibility; whereas, practicing teachers combined achievement and motivation in a cluster we refer to as student-outcome focused responsibility. These combinations affected outcomes for pre-service but not practicing teachers. Pre-service teachers in the low responsibility cluster reported less engagement, less mastery approaches to instruction, and more performance goal structures than the other two clusters. PMID:28620332

Combinations of Personal Responsibility: Differences on Pre-service and Practicing Teachers' Efficacy, Engagement, Classroom Goal Structures and Wellbeing.

PubMed

Daniels, Lia M; Radil, Amanda I; Goegan, Lauren D

2017-01-01

Pre-service and practicing teachers feel responsible for a range of educational activities. Four domains of personal responsibility emerging in the literature are: student achievement, student motivation, relationships with students, and responsibility for ones own teaching. To date, most research has used variable-centered approaches to examining responsibilities even though the domains appear related. In two separate samples we used cluster analysis to explore how pre-service ( n = 130) and practicing ( n = 105) teachers combined personal responsibilities and their impact on three professional cognitions and their wellbeing. Both groups had low and high responsibility clusters but the third cluster differed: Pre-service teachers combined responsibilities for relationships and their own teaching in a cluster we refer to as teacher-based responsibility; whereas, practicing teachers combined achievement and motivation in a cluster we refer to as student-outcome focused responsibility. These combinations affected outcomes for pre-service but not practicing teachers. Pre-service teachers in the low responsibility cluster reported less engagement, less mastery approaches to instruction, and more performance goal structures than the other two clusters.

Disentangling the Impact of Diversity Courses: Examining the Influence of Diversity Course Content on Students' Civic Engagement

ERIC Educational Resources Information Center

Castellanos, Michelle; Cole, Darnell

2015-01-01

Utilizing Bennett's genres of multicultural education, the authors examine whether diversity course content clusters influence students' civic engagement. Diversity course content clusters were predicted to influence White students and students of color differently, given principles identified by social development, cognitive development, and…

UK Student Alcohol Consumption: A Cluster Analysis of Drinking Behaviour Typologies

ERIC Educational Resources Information Center

Craigs, Cheryl L.; Bewick, Bridgette M.; Gill, Jan; O'May, Fiona; Radley, Duncan

2012-01-01

Objective: To assess the extent to which university students are following UK Government advice regarding appropriate consumption of alcohol, and to investigate if students can be placed into distinct clusters based on their drinking behaviour. Design: A descriptive questionnaire study. Setting: One hundred and nineteen undergraduate students from…

The Crystal Structure of Ba 17Sm 10Cl 64

NASA Astrophysics Data System (ADS)

Liu, Guo; Eick, Harry A.

1999-08-01

The structure of Ba17Sm10Cl64, prepared by solvolytic extraction of a program-cooled 1:1 BaCl2:SmCl3 molar mixture sealed in a quartz tube and heated to 750°C, was determined from single-crystal X-ray diffraction data. The compound exhibits cubic symmetry, space group Pa3 (No. 205) with a=21.366(2) Å and Z=4. Refinement effected with I>2σ(I) yielded R1= 0.0926 and wR2=0.216. One Ba atom is 12-coordinated by Cl atoms in a distorted icosahedral arrangement; the three other Ba atoms are 10-coordinated in a distorted bicapped cubic arrangement. There are two Sm atom sites. The coordination around one Sm atom is best described as square antiprismatic, but one Sm-Cl distance is too long for effective bonding. The other Sm atom site, occupied statistically by {1}/{3}Ba and {2}/{3}Sm atoms, is 9-coordinated by Cl atoms in a monocapped square antiprismatic arrangement. The two types of Sm sites combine to form an M6Cl37 cuboctahedral cluster of the composition BaSm5Cl37. It is shown that the cβ phase identified previously in the Yb-F and related fluoride systems is probably isostructural with Ba17Sm10Cl64.

Thermal Decomposition Mechanism of CL-20 at Different Temperatures by ReaxFF Reactive Molecular Dynamics Simulations.

PubMed

Wang, Fuping; Chen, Lang; Geng, Deshen; Wu, Junying; Lu, Jianying; Wang, Chen

2018-04-26

Hexanitrohexaazaisowurtzitane (CL-20) has a high detonation velocity and pressure, but its sensitivity is also high, which somewhat limits its applications. Therefore, it is important to understand the mechanism and characteristics of thermal decomposition of CL-20. In this study, a ε-CL-20 supercell was constructed and ReaxFF-lg reactive molecular dynamics simulations were performed to investigate thermal decomposition of ε-CL-20 at various temperatures (2000, 2500, 2750, 3000, 3250, and 3500 K). The mechanism of thermal decomposition of CL-20 was analyzed from the aspects of potential energy evolution, the primary reactions, and the intermediate and final product species. The effect of temperature on thermal decomposition of CL-20 is also discussed. The initial reaction path of thermal decomposition of CL-20 is N-NO 2 cleavage to form NO 2 , followed by C-N cleavage, leading to the destruction of the cage structure. A small number of clusters appear in the early reactions and disappear at the end of the reactions. The initial reaction path of CL-20 decomposition is the same at different temperatures. However, as the temperature increases, the decomposition rate of CL-20 increases and the cage structure is destroyed earlier. The temperature greatly affects the rate constants of H 2 O and N 2 , but it has little effect on the rate constants of CO 2 and H 2 .

Critical thinking in higher education: The influence of teaching styles and peer collaboration on science and math learning

NASA Astrophysics Data System (ADS)

Quitadamo, Ian Joseph

Many higher education faculty perceive a deficiency in students' ability to reason, evaluate, and make informed judgments, skills that are deemed necessary for academic and job success in science and math. These skills, often collected within a domain called critical thinking (CT), have been studied and are thought to be influenced by teaching styles (the combination of beliefs, behavior, and attitudes used when teaching) and small group collaborative learning (SGCL). However, no existing studies show teaching styles and SGCL cause changes in student CT performance. This study determined how combinations of teaching styles called clusters and peer-facilitated SGCL (a specific form of SGCL) affect changes in undergraduate student CT performance using a quasi-experimental pre-test/post-test research design and valid and reliable CT performance indicators. Quantitative analyses of three teaching style cluster models (Grasha's cluster model, a weighted cluster model, and a student-centered/teacher-centered cluster model) and peer-facilitated SGCL were performed to evaluate their ability to cause measurable changes in student CT skills. Based on results that indicated weighted teaching style clusters and peer-facilitated SGCL are associated with significant changes in student CT, we conclude that teaching styles and peer-facilitated SGCL influence the development of undergraduate CT in higher education science and math.

Making EFL Instruction More CLT-Oriented through Individual Accountability in Cooperative Learning

ERIC Educational Resources Information Center

Astuti, Puji; Lammers, Jayne C.

2017-01-01

This article attempts to add to the literature supporting Communicative Language Teaching (CLT) by proposing the use of Cooperative Learning (CL), specifically focusing on the enactment of a key principle of CL, i.e., individual accountability. It illustrates how to train students on CL and its individual accountability work and demonstrates how…

ClC-7 is a slowly voltage-gated 2Cl−/1H+-exchanger and requires Ostm1 for transport activity

PubMed Central

Leisle, Lilia; Ludwig, Carmen F; Wagner, Florian A; Jentsch, Thomas J; Stauber, Tobias

2011-01-01

Mutations in the ClC-7/Ostm1 ion transporter lead to osteopetrosis and lysosomal storage disease. Its lysosomal localization hitherto precluded detailed functional characterization. Using a mutated ClC-7 that reaches the plasma membrane, we now show that both the aminoterminus and transmembrane span of the Ostm1 β-subunit are required for ClC-7 Cl−/H+-exchange, whereas the Ostm1 transmembrane domain suffices for its ClC-7-dependent trafficking to lysosomes. ClC-7/Ostm1 currents were strongly outwardly rectifying owing to slow gating of ion exchange, which itself displays an intrinsically almost linear voltage dependence. Reversal potentials of tail currents revealed a 2Cl−/1H+-exchange stoichiometry. Several disease-causing CLCN7 mutations accelerated gating. Such mutations cluster to the second cytosolic cystathionine-β-synthase domain and potential contact sites at the transmembrane segment. Our work suggests that gating underlies the rectification of all endosomal/lysosomal CLCs and extends the concept of voltage gating beyond channels to ion exchangers. PMID:21527911

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

Deane, M.; Swan, S.H.; Harris, J.A.

An epidemiologic study was conducted to investigate a suspected cluster of adverse outcomes of pregnancies conceived in 1980-1981 among women who resided in a census tract in Santa Clara County, California that was thought to be exposed to drinking water from a well contaminated by an organic solvent, trichloroethane. A comparison census tract that received water from a different source was selected on the basis of demographic comparability. The cluster was confirmed; the odds ratio for spontaneous abortion was 2.3 (95% confidence interval (Cl) 1.3-4.2) after adjustment by multiple logistic regression for maternal risk factors, including maternal age, alcohol consumption,more » smoking, and prior fetal loss. The relative risk for congenital malformations was 3.1 (95% Cl 1.1-10.4). Because of the lack of precise information on the timing and extent of contamination, the pattern of spontaneous abortion rates throughout the study period cannot be used to either support or refute a causal inference.« less

Sunyaev-Zel'dovich Effect Derived Distance to the High Redshift Clusters MS 0451.6-0305 and CL 0016+16

NASA Technical Reports Server (NTRS)

Reese, E. D.; Mohr, J. J.; Carlstrom, J. E.; Grego, L.; Holder, G. P.; Holzapfel, W. L.; Hughes, J. P.; Patel, S. K.

2000-01-01

We determine the distances to the z approximately equal to 0.55 galaxy clusters MS 0451.6-0305 and CL 0016+16 from a maximum likelihood joint fit to interferometric Sunyaev-Zel'dovich effect (SZE) and X-ray observations. We model the intracluster medium (ICM) using a spherical isothermal beta-model. We quantify the statistical and systematic uncertainties inherent to these direct distance measurements, and we determine constraints on the Hubble parameter for three different cosmologies. For an OmegaM = 0.3, OmegaL = 0.7 cosmology, these distances imply a Hubble constant of 63(exp 12)(sub -9)(exp +21)(sub -21) km/s/Mpc, where the uncertainties correspond to statistical followed by systematic at 68% confidence. The best fit H(sub o) is 57 km/sec/Mpc for an open OmegaM = 0.3 universe and 52 km/s/Mpc for a flat Omega = 1 universe.

Using a Peer-Mediated Extinction Procedure to Decrease Obscene Language.

ERIC Educational Resources Information Center

Salend, Spencer J.; Meddaugh, Dona

1985-01-01

A peer extinction procedure in which students refrained from laughing at or attending to a targeted student's inappropriate behavior decreased the adolescent learning disabled student's obscene language. (CL)

Ectoine and 5-hydroxyectoine accumulation in the halophile Virgibacillus halodenitrificans PDB-F2 in response to salt stress.

PubMed

Tao, Ping; Li, Hui; Yu, Yunjiang; Gu, Jidong; Liu, Yongdi

2016-08-01

The moderately halophilic bacterium Virgibacillus halodenitrificans PDB-F2 copes with salinity by synthesizing or taking up compatible solutes. The main compatible solutes in this strain were ectoine and hydroxyectoine, as determined by (1)H nuclear magnetic resonance spectroscopy ((1)H-NMR). A high-performance liquid chromatography (HPLC) analysis showed that ectoine was the major solute that was synthesized in response to elevated salinity, while hydroxyectoine was a minor solute. However, the hydroxyectoine/ectoine ratio increased from 0.04 at 3 % NaCl to 0.45 at 15 % NaCl in the late exponential growth phase. A cluster of ectoine biosynthesis genes was identified, including three genes in the order of ectA, ectB, and ectC. The hydroxyectoine biosynthesis gene ectD was not part of the ectABC gene cluster. Reverse transcription-quantitative polymerase chain reactions (RT-qPCR) showed that the expression of the ect genes was salinity dependent. The expression of ectABC reached a maximum at 12 % NaCl, while ectD expression increased up to 15 % NaCl. Ectoine and hydroxyectoine production was growth phase dependent. The hydroxyectoine/ectoine ratio increased from 0.018 in the early exponential phase to 0.11 in the stationary phase at 5 % NaCl. Hydroxyectoine biosynthesis started much later than ectoine biosynthesis after osmotic shock, and the temporal expression of the ect genes differed under these conditions, with the ectABC genes being expressed first, followed by ectD gene. Increased culture salinity triggered ectoine or hydroxyectoine uptake when they were added to the medium. Hydroxyectoine was accumulated preferentially when both ectoine and hydroxyectoine were provided exogenously.

Simulating the Galaxy Cluster “El Gordo”: Gas Motion, Kinetic Sunyaev–Zel’dovich Signal, and X-Ray Line Features

NASA Astrophysics Data System (ADS)

Zhang, Congyao; Yu, Qingjuan; Lu, Youjun

2018-03-01

The massive galaxy cluster “El Gordo” (ACT-CL J0102–4915) is a rare merging system with a high collision speed suggested by multi-wavelength observations and theoretical modeling. Zhang et al. propose two types of mergers, a nearly head-on merger and an off-axis merger with a large impact parameter, to reproduce most of the observational features of the cluster using numerical simulations. The different merger configurations of the two models result in different gas motion in the simulated clusters. In this paper, we predict the kinetic Sunyaev–Zel’dovich (kSZ) effect, the relativistic correction of the thermal Sunyaev–Zel’dovich (tSZ) effect, and the X-ray spectrum of this cluster, based on the two proposed models. We find that (1) the amplitudes of the kSZ effect resulting from the two models are both on the order of ΔT/T ∼ 10‑5 but their morphologies are different, which trace the different line-of-sight velocity distributions of the systems; (2) the relativistic correction of the tSZ effect around 240 GHz can be possibly used to constrain the temperature of the hot electrons heated by the shocks; and (3) the shift between the X-ray spectral lines emitted from different regions of the cluster can be significantly different in the two models. The shift and the line broadening can be up to ∼25 eV and 50 eV, respectively. We expect that future observations of the kSZ effect and the X-ray spectral lines (e.g., by ALMA, XARM) will provide a strong constraint on the gas motion and the merger configuration of ACT-CL J0102–4915.

Interaction of different poisons with MgCl2/TiCl4 based Ziegler-Natta catalysts

NASA Astrophysics Data System (ADS)

Bahri-Laleh, Naeimeh

2016-08-01

Adsorption of different poison molecules on activated MgCl2 is investigated within DFT using a cluster model of the MgCl2 surface with (MgCl2)16 formula containing four 4-coordinated and eight 5-coordinated Mg atoms as (110) and (104) surfaces, respectively. Studied poison molecules are chosen as possible impurities in hydrocarbon solvents and monomer feeds and contain water, hydrogensulfide, carbondioxide, molecular oxygen and methanol. First, adsorption of 1-4 molecules of different poisons to the (104) and (110) lateral cuts of MgCl2, as well as their adsorption on [MgCl2]/TiCl2Et active center and AlEt3 cocatalyst is considered. Results reveal that poisons strongly stabilize both crystal surfaces, mostly Ti active center relative to the unpoisoned solid. Second, energy barrier (ETS) for ethylene insertion in the presence of different poisons located on the first and second Mg atom relative to the active Ti is calculated. While poison molecule located on the second Mg does not change ETS, coordination of it into the first Mg atom increases ETS by 0.9-1.2 kcal mol-1. In the last part of this manuscript, the stereoselective behavior of active Ti species, with and without poison molecules and external electron donor, is fully explored.

DFT calculations for Au adsorption onto a reduced TiO2 (110) surface with the coexistence of Cl

NASA Astrophysics Data System (ADS)

Tada, Kohei; Sakata, Kohei; Yamada, Satoru; Okazaki, Kazuyuki; Kitagawa, Yasutaka; Kawakami, Takashi; Yamanaka, Shusuke; Okumura, Mitsutaka

2014-02-01

Residual chlorines, which originate from HAuCl4, enhance the aggregation of gold (Au) nanoparticles and clusters, preventing the generation of highly active supported Au catalysts. However, the detailed mechanism of residual-chlorine-promoted aggregation of Au is unknown. Herein to investigate this mechanism, density functional theory (DFT) calculations of Au and Cl adsorption onto a reduced rutile TiO2 (110) surface were performed using a generalised gradient approximation Perdew, Burke, and Ernzerhof formula (GGA-PBE) functional and plane-wave basis. Although both Au and Cl atoms prefer to mono-absorb onto oxygen defect sites, Cl atoms have a stronger absorption onto a reduced TiO2 (110) surface, abbreviated as rTiO2 (110) in the following, than Au atoms. Additionally, co-adsorption of a Cl atom and a Au atom or Au nanorod onto a rTiO2 surface was investigated; Cl adsorption onto an oxygen defect site weakens the interaction between a Au atom or Au nanorod and rTiO2 (110) surface. The calculation results suggest that the depletion of interaction between Au and rTiO2 surface is due to strong interaction between Cl atoms at oxygen defect sites and neighbouring bridging oxygen (OB) atoms.

Motivational Profiles of Medical Students of Nepalese Army Institute of Health Sciences.

PubMed

Shrestha, Lochana; Pant, Shambhu Nath

2018-01-01

Students enter the medical study with different types of motives. Given the importance of academic motivation for good academic achievement of the students, the present study was designed to reveal the possible relationship between academic motivation and achievement in medical students. In this cross-sectional study medical students (N=364) of Nepalese Army institute of Health Sciences were participated and classified to different subgroups using intrinsic and controlled motivation scores. Cluster membership was used as an independent variable to assess differences in study strategies and academic performance. Four clusters were obtained: High Intrinsic High Controlled, Low Intrinsic High Controlled, High Intrinsic Low Controlled, and Low Intrinsic Low Controlled. High Intrinsic High Controlled and High Intrinsic Low Controlled profile students constituted 36.1%, 22.6% of the population, respectively. No significant differences were observed as regards to deep strategy and surface strategy between high interest status motivated and high interest-motivated students. However, both of the clusters had significantly deeper, surface strategy and better academic performance than status-motivated and low-motivation clusters (p < 0.001). The interest status motivated and interest-motivated medical students were associated with good deep and surface study strategy and good academic performance. Low-motivation and status-motivated students were associated with the least academic performance with less interest learning behaviors. This reflected that motivation is important required component for good learning outcomes for medical students Keywords: Academic performance; controlled motivation; clusters; intrinsic motivation; motivation.

Academic Clustering and Major Selection of Intercollegiate Student-Athletes

ERIC Educational Resources Information Center

Schneider, Ray G.; Ross, Sally R.; Fisher, Morgan

2010-01-01

Although journalists and reporters have written about academic clustering among college student-athletes, there has been a dearth of scholarly analysis devoted to the subject. This study explored football players' academic major selections to determine if academic clustering actually existed. The seasons 1996, 2001, and 2006 were selected for…

Hydrolysis of ZrCl4 and HfCl4: The Initial Steps in the High-Temperature Oxidation of Metal Chlorides to Produce ZrO2 and HfO2

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

Fang, Zongtang; Dixon, David A.

2013-03-08

The gas-phase hydrolysis of MCl4 (M = Zr, Hf) to produce the initial particles on the way to zirconia and hafnia nanoparticles has been studied with electronic structure theory. The potential energy surfaces, the themochemistry of the reaction species, and the reaction paths for the initial steps of MCl4 reacting with H2O have been calculated. The hydrolysis of MCl4 at higher temperatures begins with the formation of oxychlorohydroxides followed by the elimination of HCl instead of the direct production of MOCl2 and HCl or MO2 and HCl due to the substantial endothermicities associated with the formation of gas-phase MO2. Themore » structural properties and heats of formation of the reactants and products are consistent with the available experimental results. A number of metal oxychlorides (oxychlorohydroxides) intermediate clusters have been studied to assess their role in the production of MO2 nanoparticles. The calculated clustering reaction energies of those intermediates are highly exothermic, so they could be readily formed in the hydrolysis process. These intermediate clusters can be formed exothermically from metal oxychlorohydroxides by the elimination of one HCl or H2O molecule. Our calculations show that the mechanisms leading to the formation of MO2 nanoparticles are complicated and are accompanied by the potential production of a wide range of intermediates, as found for the production of TiO2 particles from the high-temperature oxidation of TiCl4.« less

Synthesis of Surface-Analogue Square-Planar Tetranuclear Nickel Hydride Clusters and Bonding to μ4-NR, -O and -BH Ligands.

PubMed

Shoshani, Manar M; Beck, Robert; Wang, Xiaoping; McLaughlin, Matthew J; Johnson, Samuel A

2018-03-05

Tetranuclear Ni complexes were synthesized with bonding to BH, NR, and O in atypical surface-like geometries. The previously reported electron-deficient cluster [( i Pr 3 P)Ni] 5 H 6 (1) reacts with N-methylmorpholine oxide to give [( i Pr 3 P)Ni] 4 H 4 (μ 4 -O) (2), which contains O coordinated in the center of a square-plane arrangement of Ni atoms. Reaction of 1 with benzonitrile gave the square-planar tetranuclear Ni cluster [( i Pr 3 P)Ni] 4 H 4 (μ 4 -NCH 2 Ph) (3), which contains an imido donor in a square-based-pyramidal geometry. This reaction also gives [( i Pr 3 P)Ni(N≡CPh)] 3 (4), with bridging benzonitrile ligands. Trimer 4 was independently synthesized from the reaction of Ni(COD) 2 , i Pr 3 P, and PhC≡N. The addition of dihydrogen to a 1:1 mixture of [( i Pr 3 P) 2 Ni] 2 (N 2 ) and ( i Pr 3 P) 2 NiCl 2 yielded [( i Pr 3 P)Ni] 4 (μ 3 -H) 4 (μ 2 -Cl) 2 (5), with a tetrahedral Ni core, in contrast to the square-planar geometries of 2 and 3. The solid-state structure of 5 was determined using both X-ray and neutron diffraction. Reaction of 5 with LiBH 4 gave [( i Pr 3 P)Ni] 4 H 4 (μ 4 -BH) 2 ] (6) via loss of LiCl and H 2 .

Unusual bacterioplankton community structure in ultra-oligotrophic Crater Lake

USGS Publications Warehouse

Urbach, Ena; Vergin, Kevin L.; Morse, Ariel

2001-01-01

The bacterioplankton assemblage in Crater Lake, Oregon (U.S.A.), is different from communities found in other oxygenated lakes, as demonstrated by four small subunit ribosomal ribonucleic acid (SSU rRNA) gene clone libraries and oligonucleotide probe hybridization to RNA from lake water. Populations in the euphotic zone of this deep (589 m), oligotrophic caldera lake are dominated by two phylogenetic clusters of currently uncultivated bacteria: CL120-10, a newly identified cluster in the verrucomicrobiales, and ACK4 actinomycetes, known as a minor constituent of bacterioplankton in other lakes. Deep-water populations at 300 and 500 m are dominated by a different pair of uncultivated taxa: CL500-11, a novel cluster in the green nonsulfur bacteria, and group I marine crenarchaeota. b-Proteobacteria, dominant in most other freshwater environments, are relatively rare in Crater Lake (<=16% of nonchloroplast bacterial rRNA at all depths). Other taxa identified in Crater Lake libraries include a newly identified candidate bacterial division, ABY1, and a newly identified subcluster, CL0-1, within candidate division OP10. Probe analyses confirmed vertical stratification of several microbial groups, similar to patterns observed in open-ocean systems. Additional similarities between Crater Lake and ocean microbial populations include aphotic zone dominance of group I marine crenarchaeota and green nonsulfur bacteria. Comparison of Crater Lake to other lakes studied by rRNA methods suggests that selective factors structuring Crater Lake bacterioplankton populations may include low concentrations of available trace metals and dissolved organic matter, chemistry of infiltrating hydrothermal waters, and irradiation by high levels of ultraviolet light.

The externally corrected coupled cluster approach with four- and five-body clusters from the CASSCF wave function.

PubMed

Xu, Enhua; Li, Shuhua

2015-03-07

An externally corrected CCSDt (coupled cluster with singles, doubles, and active triples) approach employing four- and five-body clusters from the complete active space self-consistent field (CASSCF) wave function (denoted as ecCCSDt-CASSCF) is presented. The quadruple and quintuple excitation amplitudes within the active space are extracted from the CASSCF wave function and then fed into the CCSDt-like equations, which can be solved in an iterative way as the standard CCSDt equations. With a size-extensive CASSCF reference function, the ecCCSDt-CASSCF method is size-extensive. When the CASSCF wave function is readily available, the computational cost of the ecCCSDt-CASSCF method scales as the popular CCSD method (if the number of active orbitals is small compared to the total number of orbitals). The ecCCSDt-CASSCF approach has been applied to investigate the potential energy surface for the simultaneous dissociation of two O-H bonds in H2O, the equilibrium distances and spectroscopic constants of 4 diatomic molecules (F2(+), O2(+), Be2, and NiC), and the reaction barriers for the automerization reaction of cyclobutadiene and the Cl + O3 → ClO + O2 reaction. In most cases, the ecCCSDt-CASSCF approach can provide better results than the CASPT2 (second order perturbation theory with a CASSCF reference function) and CCSDT methods.

The Student-Teacher Relationship Quality of Abused Children

PubMed Central

Haskett, Mary E.; Hawkins, Amy L.

2016-01-01

Considering the association between children’s quality of relationships with teachers and their academic adjustment, information pertaining to how abused children are functioning in their relationships with teachers could be useful in promoting their academic success— yet there has been limited research in this area. The purpose of this study was to use cluster analyses to explore within-group differences in relational schemas and quality of student-teacher relationships for 70 abused children. Two clusters of abused children emerged, and as hypothesized, there were significant differences in student-teacher relationships for the two clusters. The cluster with more positive relational schemas had less conflict and less dependency reported by their teachers compared to the cluster with negative relational schemas. However, there were no differences between the clusters in terms of closeness with teachers. Implications for practice in schools is discussed. PMID:28713179

Genetic source tracking of an anthrax outbreak in Shaanxi province, China.

PubMed

Liu, Dong-Li; Wei, Jian-Chun; Chen, Qiu-Lan; Guo, Xue-Jun; Zhang, En-Min; He, Li; Liang, Xu-Dong; Ma, Guo-Zhu; Zhou, Ti-Cao; Yin, Wen-Wu; Liu, Wei; Liu, Kai; Shi, Yi; Ji, Jian-Jun; Zhang, Hui-Juan; Ma, Lin; Zhang, Fa-Xin; Zhang, Zhi-Kai; Zhou, Hang; Yu, Hong-Jie; Kan, Biao; Xu, Jian-Guo; Liu, Feng; Li, Wei

2017-01-17

Anthrax is an acute zoonotic infectious disease caused by the bacterium known as Bacillus anthracis. From 26 July to 8 August 2015, an outbreak with 20 suspected cutaneous anthrax cases was reported in Ganquan County, Shaanxi province in China. The genetic source tracking analysis of the anthrax outbreak was performed by molecular epidemiological methods in this study. Three molecular typing methods, namely canonical single nucleotide polymorphisms (canSNP), multiple-locus variable-number tandem repeat analysis (MLVA), and single nucleotide repeat (SNR) analysis, were used to investigate the possible source of transmission and identify the genetic relationship among the strains isolated from human cases and diseased animals during the outbreak. Five strains isolated from diseased mules were clustered together with patients' isolates using canSNP typing and MLVA. The causative B. anthracis lineages in this outbreak belonged to the A.Br.001/002 canSNP subgroup and the MLVA15-31 genotype (the 31 genotype in MLVA15 scheme). Because nine isolates from another four provinces in China were clustered together with outbreak-related strains by the canSNP (A.Br.001/002 subgroup) and MLVA15 method (MLVA15-31 genotype), still another SNR analysis (CL10, CL12, CL33, and CL35) was used to source track the outbreak, and the results suggesting that these patients in the anthrax outbreak were probably infected by the same pathogen clone. It was deduced that the anthrax outbreak occurred in Shaanxi province, China in 2015 was a local occurrence.

Project Soar.

ERIC Educational Resources Information Center

Austin, Marion

1982-01-01

Project Soar, a Saturday enrichment program for gifted students (6-14 years old), allows students to work intensively in a single area of interest. Examples are cited of students' work in crewel embroidery, creative writing, and biochemistry. (CL)

Teacher Language Awareness and Cognitive Linguistics (CL): Building a CL-Inspired Perspective on Teaching Lexis in EFL Student Teachers

ERIC Educational Resources Information Center

Giebler, Ralf

2012-01-01

It has been suggested recently that it may be useful for language teaching practitioners to have some knowledge of cognitive linguistics. Cognitive linguistics (CL) provides tools that may help the language-teaching practitioner to gain insight into the semantic potential of words and communicate the meaning of lexical chunks in greater detail…

Assembly of bicyclic or monocyclic clusters from [(η5-C5Me5)2Mo2(μ3-S)4(CuMeCN)2]2+ with tetraphosphine or N,P mixed ligands: syntheses, structures and enhanced third-order NLO performances.

PubMed

Ren, Zhi-Gang; Sun, Sha; Dai, Min; Wang, Hui-Fang; Lü, Chun-Ning; Lang, Jian-Ping; Sun, Zhen-Rong

2011-09-07

Reactions of the preformed cluster [(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)Cu(2)(MeCN)(2)](ClO(4))(2) (1) with two tetraphosphine ligands, 1,4-N,N,N',N'-tetra(diphenylphosphanylmethyl)benzene diamine (dpppda) and N,N,N',N'-tetra(diphenylphosphanylmethyl)ethylene diamine (dppeda), produced two bicyclic clusters {[(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)Cu(2)](2)(L)}(ClO(4))(4) (3: L = dpppda; 4: L = dppeda). Analogous reactions of 1 or [(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)Cu(2)(MeCN)(2)](PF(6))(2) (2) with two N,P mixed ligands, N,N-bi(diphenylphosphanylmethyl)-2-aminopyridine (bdppmapy) and N-diphenylphosphanylmethyl-4-aminopyridine (dppmapy), afforded two monocyclic clusters {[(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)Cu(2)](2)(L)(2)}X(4) (5: L = bdppmapy, X = ClO(4); 6: L = dppmapy, X = PF(6)). Compounds 3-6 were fully characterized by elemental analysis, IR spectra, UV-vis spectra, (1)H and (31)P{(1)H} NMR spectra, ESI-MS and single-crystal X-ray crystallography. In the tetracations of 3-6, two cubane-like [Mo(2)(μ(3)-S)(4)Cu(2)] cores are linked either by one dpppda or dppeda bridge to form a bicyclic structure or by a pair of bdppmapy or dppmapy bridges to afford a monocyclic structure. The third-order nonlinear optical (NLO) properties of 1 and 3-6 in MeCN were also investigated by femtosecond degenerate four-wave mixing (DFWM) technique with a 50 fs pulse width at 800 nm. Compounds 3-6 exhibited enhanced third-order NLO performances relative to that of 1. This journal is © The Royal Society of Chemistry 2011

Kinetic modeling of electron transfer reactions in photosystem I complexes of various structures with substituted quinone acceptors.

PubMed

Milanovsky, Georgy E; Petrova, Anastasia A; Cherepanov, Dmitry A; Semenov, Alexey Yu

2017-09-01

The reduction kinetics of the photo-oxidized primary electron donor P 700 in photosystem I (PS I) complexes from cyanobacteria Synechocystis sp. PCC 6803 were analyzed within the kinetic model, which considers electron transfer (ET) reactions between P 700 , secondary quinone acceptor A 1 , iron-sulfur clusters and external electron donor and acceptors - methylviologen (MV), 2,3-dichloro-naphthoquinone (Cl 2 NQ) and oxygen. PS I complexes containing various quinones in the A 1 -binding site (phylloquinone PhQ, plastoquinone-9 PQ and Cl 2 NQ) as well as F X -core complexes, depleted of terminal iron-sulfur F A /F B clusters, were studied. The acceleration of charge recombination in F X -core complexes by PhQ/PQ substitution indicates that backward ET from the iron-sulfur clusters involves quinone in the A 1 -binding site. The kinetic parameters of ET reactions were obtained by global fitting of the P 700 + reduction with the kinetic model. The free energy gap ΔG 0 between F X and F A /F B clusters was estimated as -130 meV. The driving force of ET from A 1 to F X was determined as -50 and -220 meV for PhQ in the A and B cofactor branches, respectively. For PQ in A 1A -site, this reaction was found to be endergonic (ΔG 0  = +75 meV). The interaction of PS I with external acceptors was quantitatively described in terms of Michaelis-Menten kinetics. The second-order rate constants of ET from F A /F B , F X and Cl 2 NQ in the A 1 -site of PS I to external acceptors were estimated. The side production of superoxide radical in the A 1 -site by oxygen reduction via the Mehler reaction might comprise ≥0.3% of the total electron flow in PS I.

ONIOM Study of Chemical Reactions in Microsolvation Clusters: (H2O)(n)CH3Cl+OH-(H2O)(m) (n+m = 1 and 2)

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

Re, Suyong; Morokuma, Keiji

2001-07-07

The reliability of the two-layered ONIOM (our own N-layered molecular orbital + molecular mechanics) method was examined for the investigation of the SN2 reaction pathway (reactants, reactant complexes, transition states, product complexes, and products) between CH3Cl and an OH- ion in microsolvation clusters with one or two water molecules. Only the solute part, CH3Cl and OH-, was treated at a high level of molecular orbital (MO) theory, and all solvent water molecules were treated at a low MO level. The ONIOM calculation at the MP2 (Moller-Plesset second order perturbation)/aug-cc-pVDZ (augmented correlation-consistent polarized valence double-zeta basis set) level of theory asmore » the high level coupled with the B3LYP (Becke 3 parameter-Lee-Yag-Parr)/6-31+G(d) as the low level was found to reasonably reproduce the "target"geometries at the MP2/aug-cc-pVDZ level of theory. The energetics can be further improved to an average absolute error of <1.0 kcal/mol per solvent water molecule relative to the target CCSD(T) (coupled cluster singles and doubles with triples by perturbation)/aug-cc-pVDZ level by using the ONIOM method in which the high level was CCSD(T)/aug-cc-pVDZ level with the low level of MP2/aug-cc-pVDZ. The present results indicate that the ONIOM method would be a powerful tool for obtaining reliable geometries and energetics for chemical reactions in larger microsolvated clusters with a fraction of cost of the full high level calculation, when an appropriate combination of high and low level methods is used. The importance of a careful test is emphasized.« less

The Effect of Roundtable and Clustering Teaching Techniques and Students' Personal Traits on Students' Achievement in Descriptive Writing

ERIC Educational Resources Information Center

Sinaga, Megawati

2017-01-01

The Objectives of this paper as an experimental research was to investigate the effect of Roundtable and Clustering teaching techniques and students' personal traits on students' achievement in descriptive writing. The students in grade ix of SMP Negeri 2 Pancurbatu 2016/2017 school academic year were chose as the population of this research. The…

Ab initio and RRKM study of the reaction of ClO with HOCO radicals.

PubMed

Yu, Hua-Gen; Francisco, Joseph S

2009-11-19

The reaction pathways for the ClO + HOCO reaction have been explored using the coupled-cluster method to locate and optimize the critical points on the ground-state potential-energy surface. Results show that the ClO + HOCO reaction can produce Cl + HOC(O)O, HOCl + CO(2), HCl + CO(3), and HClO + CO(2) via an addition or a direct hydrogen abstraction reaction mechanism. The reaction kinetics has been studied using the variational RRKM theory. It is found that the ClO + HOCO reaction is fast and has a negative temperature dependence at low temperatures. At room temperature, the thermal rate coefficient is obtained as 4.26 x 10(-12) cm(3) molecules(-1) s(-1) with product branching fractions of Cl (0.518), HOCl (0.469), HCl (0.01), and HClO (0.003) at zero pressure. The Cl + HOC(O)O products are major, compared to the HOCl + CO(2) products, because of the loose transition state along the dissociation pathway to eliminate Cl. In addition, the RRKM/master equation simulations indicate that the stabilization of the HOC(O)OCl intermediates is noticeable at moderate pressures as its thermal rate constants reach about 6.0 x 10(-13) cm(3) molecules(-1) s(-1). In contrast, the other product branching ratios for the ClO + HOCO reaction are weakly dependent on pressure.

Students' Perceptions of Motivational Climate and Enjoyment in Finnish Physical Education: A Latent Profile Analysis.

PubMed

Jaakkola, Timo; Wang, C K John; Soini, Markus; Liukkonen, Jarmo

2015-09-01

The purpose of this study was to identify student clusters with homogenous profiles in perceptions of task- and ego-involving, autonomy, and social relatedness supporting motivational climate in school physical education. Additionally, we investigated whether different motivational climate groups differed in their enjoyment in PE. Participants of the study were 2 594 girls and 1 803 boys, aged 14-15 years. Students responded to questionnaires assessing their perception of motivational climate and enjoyment in physical education. Latent profile analyses produced a five-cluster solution labeled 1) 'low autonomy, relatedness, task, and moderate ego climate' group', 2) 'low autonomy, relatedness, and high task and ego climate, 3) 'moderate autonomy, relatedness, task and ego climate' group 4) 'high autonomy, relatedness, task, and moderate ego climate' group, and 5) 'high relatedness and task but moderate autonomy and ego climate' group. Analyses of variance showed that students in clusters 4 and 5 perceived the highest level of enjoyment whereas students in cluster 1 experienced the lowest level of enjoyment. The results showed that the students' perceptions of various motivational climates created differential levels of enjoyment in PE classes. Key pointsLatent profile analyses produced a five-cluster solution labeled 1) 'low autonomy, relatedness, task, and moderate ego climate' group', 2) 'low autonomy, relatedness, and high task and ego climate, 3) 'moderate autonomy, relatedness, task and ego climate' group 4) 'high autonomy, relatedness, task, and moderate ego climate' group, and 5) 'high relatedness and task but moderate autonomy and ego climate' group.Analyses of variance showed that clusters 4 and 5 perceived the highest level of enjoyment whereas cluster 1 experienced the lowest level of enjoyment. The results showed that the students' perceptions of motivational climate create differential levels of enjoyment in PE classes.

Computational studies of atmospherically-relevant chemical reactions in water clusters and on liquid water and ice surfaces.

PubMed

Gerber, R Benny; Varner, Mychel E; Hammerich, Audrey D; Riikonen, Sampsa; Murdachaew, Garold; Shemesh, Dorit; Finlayson-Pitts, Barbara J

2015-02-17

CONSPECTUS: Reactions on water and ice surfaces and in other aqueous media are ubiquitous in the atmosphere, but the microscopic mechanisms of most of these processes are as yet unknown. This Account examines recent progress in atomistic simulations of such reactions and the insights provided into mechanisms and interpretation of experiments. Illustrative examples are discussed. The main computational approaches employed are classical trajectory simulations using interaction potentials derived from quantum chemical methods. This comprises both ab initio molecular dynamics (AIMD) and semiempirical molecular dynamics (SEMD), the latter referring to semiempirical quantum chemical methods. Presented examples are as follows: (i) Reaction of the (NO(+))(NO3(-)) ion pair with a water cluster to produce the atmospherically important HONO and HNO3. The simulations show that a cluster with four water molecules describes the reaction. This provides a hydrogen-bonding network supporting the transition state. The reaction is triggered by thermal structural fluctuations, and ultrafast changes in atomic partial charges play a key role. This is an example where a reaction in a small cluster can provide a model for a corresponding bulk process. The results support the proposed mechanism for production of HONO by hydrolysis of NO2 (N2O4). (ii) The reactions of gaseous HCl with N2O4 and N2O5 on liquid water surfaces. Ionization of HCl at the water/air interface is followed by nucleophilic attack of Cl(-) on N2O4 or N2O5. Both reactions proceed by an SN2 mechanism. The products are ClNO and ClNO2, precursors of atmospheric atomic chlorine. Because this mechanism cannot result from a cluster too small for HCl ionization, an extended water film model was simulated. The results explain ClNO formation experiments. Predicted ClNO2 formation is less efficient. (iii) Ionization of acids at ice surfaces. No ionization is found on ideal crystalline surfaces, but the process is efficient on isolated defects where it involves formation of H3O(+)-acid anion contact ion pairs. This behavior is found in simulations of a model of the ice quasi-liquid layer corresponding to large defect concentrations in crystalline ice. The results are in accord with experiments. (iv) Ionization of acids on wet quartz. A monolayer of water on hydroxylated silica is ordered even at room temperature, but the surface lattice constant differs significantly from that of crystalline ice. The ionization processes of HCl and H2SO4 are of high yield and occur in a few picoseconds. The results are in accord with experimental spectroscopy. (v) Photochemical reactions on water and ice. These simulations require excited state quantum chemical methods. The electronic absorption spectrum of methyl hydroperoxide adsorbed on a large ice cluster is strongly blue-shifted relative to the isolated molecule. The measured and calculated adsorption band low-frequency tails are in agreement. A simple model of photodynamics assumes prompt electronic relaxation of the excited peroxide due to the ice surface. SEMD simulations support this, with the important finding that the photochemistry takes place mainly on the ground state. In conclusion, dynamics simulations using quantum chemical potentials are a useful tool in atmospheric chemistry of water media, capable of comparison with experiment.

Weighing 'El Gordo' with a precision scale: Hubble space telescope weak-lensing analysis of the merging galaxy cluster ACT-CL J0102–4915 at z = 0.87

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

Jee, M. James; Ng, Karen Y.; Hughes, John P.

2014-04-10

We present a Hubble Space Telescope weak-lensing study of the merging galaxy cluster 'El Gordo' (ACT-CL J0102–4915) at z = 0.87 discovered by the Atacama Cosmology Telescope (ACT) collaboration as the strongest Sunyaev-Zel'dovich decrement in its ∼1000 deg{sup 2} survey. Our weak-lensing analysis confirms that ACT-CL J0102–4915 is indeed an extreme system consisting of two massive (≳ 10{sup 15} M {sub ☉} each) subclusters with a projected separation of ∼0.7 h{sub 70}{sup −1} Mpc. This binary mass structure revealed by our lensing study is consistent with the cluster galaxy distribution and the dynamical study carried out with 89 spectroscopic members.more » We estimate the mass of ACT-CL J0102–4915 by simultaneously fitting two axisymmetric Navarro-Frenk-White (NFW) profiles allowing their centers to vary. We use only a single parameter for the NFW mass profile by enforcing the mass-concentration relation from numerical simulations. Our Markov-Chain-Monte-Carlo analysis shows that the masses of the northwestern (NW) and the southeastern (SE) components are M{sub 200c}=(1.38±0.22)×10{sup 15} h{sub 70}{sup −1} M{sub ⊙} and (0.78±0.20)×10{sup 15} h{sub 70}{sup −1} M{sub ⊙}, respectively, where the quoted errors include only 1σ statistical uncertainties determined by the finite number of source galaxies. These mass estimates are subject to additional uncertainties (20%-30%) due to the possible presence of triaxiality, correlated/uncorrelated large scale structure, and departure of the cluster profile from the NFW model. The lensing-based velocity dispersions are 1133{sub −61}{sup +58} km s{sup −1} and 1064{sub −66}{sup +62} km s{sup −1} for the NW and SE components, respectively, which are consistent with their spectroscopic measurements (1290 ± 134 km s{sup –1} and 1089 ± 200 km s{sup –1}, respectively). The centroids of both components are tightly constrained (∼4'') and close to the optical luminosity centers. The X-ray and mass peaks are spatially offset by ∼8'' (∼62 h{sub 70}{sup −1} kpc), which is significant at the ∼2σ confidence level. The mass peak, however, does not lead the gas peak in the direction expected if we are viewing the cluster soon after first core passage during a high speed merger. Under the assumption that the merger is happening in the plane of the sky, extrapolation of the two NFW halos to a radius r{sub 200a}=2.4 h{sub 70}{sup −1} Mpc yields a combined mass of M{sub 200a}=(3.13±0.56)×10{sup 15} h{sub 70}{sup −1} M{sub ⊙}. This extrapolated total mass is consistent with our two-component-based dynamical analysis and previous X-ray measurements, projecting ACT-CL J0102–4915 to be the most massive cluster at z > 0.6 known to date.« less

Music Training and Semantic Clustering in College Students

ERIC Educational Resources Information Center

Hogan, David E.; Huesman, Thomas

2008-01-01

College students with 5 or more years of music training recalled significantly more words from a 16-item word list than did students with 0-4 years of training. The superior recall of the extensively trained students linked to better application of a semantic-clustering strategy across a series of 3 test trials. Music education and language…

Comulang: towards a collaborative e-learning system that supports student group modeling.

PubMed

Troussas, Christos; Virvou, Maria; Alepis, Efthimios

2013-01-01

This paper describes an e-learning system that is expected to further enhance the educational process in computer-based tutoring systems by incorporating collaboration between students and work in groups. The resulting system is called "Comulang" while as a test bed for its effectiveness a multiple language learning system is used. Collaboration is supported by a user modeling module that is responsible for the initial creation of student clusters, where, as a next step, working groups of students are created. A machine learning clustering algorithm works towards group formatting, so that co-operations between students from different clusters are attained. One of the resulting system's basic aims is to provide efficient student groups whose limitations and capabilities are well balanced.

Biosynthesis of 2′-Chloropentostatin and 2′-Amino-2′-Deoxyadenosine Highlights a Single Gene Cluster Responsible for Two Independent Pathways in Actinomadura sp. Strain ATCC 39365

PubMed Central

Gao, Yaojie; Xu, Gudan; Wu, Pan; Liu, Jin; Cai, You-sheng; Deng, Zixin

2017-01-01

ABSTRACT 2′-Chloropentostatin (2′-Cl PTN, 2′-chloro-2′-deoxycoformycin) and 2′-amino-2′-deoxyadenosine (2′-amino dA) are two adenosine-derived nucleoside antibiotics coproduced by Actinomadura sp. strain ATCC 39365. 2′-Cl PTN is a potent adenosine deaminase (ADA) inhibitor featuring an intriguing 1,3-diazepine ring, as well as a chlorination at C-2′ of ribose, and 2′-amino dA is an adenosine analog showing bioactivity against RNA-type virus infection. However, the biosynthetic logic of them has remained poorly understood. Here, we report the identification of a single gene cluster (ada) essential for the biosynthesis of 2′-Cl PTN and 2′-amino dA. Further systematic genetic investigations suggest that 2′-Cl PTN and 2′-amino dA are biosynthesized by independent pathways. Moreover, we provide evidence that a predicted cation/H+ antiporter, AdaE, is involved in the chlorination step during 2′-Cl PTN biosynthesis. Notably, we demonstrate that 2′-amino dA biosynthesis is initiated by a Nudix hydrolase, AdaJ, catalyzing the hydrolysis of ATP. Finally, we reveal that the host ADA (designated ADA1), capable of converting adenosine/2′-amino dA to inosine/2′-amino dI, is not very sensitive to the powerful ADA inhibitor pentostatin. These findings provide a basis for the further rational pathway engineering of 2′-Cl PTN and 2′-amino dA production. IMPORTANCE 2′-Cl PTN/PTN and 2′-amino dA have captivated the great interests of scientists, owing to their unusual chemical structures and remarkable bioactivities. However, the precise logic for their biosynthesis has been elusive for decades. Actually, the identification and elucidation of their biosynthetic pathways not only enrich the biochemical repertoire of novel enzymatic reactions but may also lay solid foundations for the pathway engineering and combinatorial biosynthesis of this family of purine nucleoside antibiotics to generate novel hybrid analogs with improved features. PMID:28258148

ASCA Observations of Distant Clusters of Galaxies

NASA Astrophysics Data System (ADS)

Tsuru, T. G.

We present results from ASCA observation of distant clusters of galaxies. The observed clusters are as follows; CL0016+16, A370, A959, AC118, Zw3136, MS1305.4+2941, A1851, A963, A2163, MS0839.8+2938, A665, A1689, A2218, A586 and A1413. The covering range of the redshifts is 0.14-0.55 and their average red-shift is 0.245. The negative correlation between the metal abundance and the plasma temperature seen in near clusters is also detected in the distant clusters. No apparent difference between the two correlation. It suggests no strong metal evolution has been made from z = 0.2-0.3 to z = 0. Data of velocity dispersion is available for seven clusters among our samples. All the betaspec of them are above the average of near clusters. The average betaspec for the distant clusters obtained to be betaspec = 1.85 with an rms scatter of 0.62. The value is significantly higher than the near clusters' value of betaspec = 0.94 plus or minus 0.08 with an rms scatter of 0.46.

Coulomb- and Antiferromagnetic-Induced Fission in Doubly Charged Cubelike Fe-S Clusters

NASA Astrophysics Data System (ADS)

Yang, Xin; Wang, Xue-Bin; Niu, Shuqiang; Pickett, Chris J.; Ichiye, Toshiko; Wang, Lai-Sheng

2002-09-01

We report the observation of symmetric fission in doubly charged Fe-S cluster anions, [Fe4S4X4]2- -->2[Fe2S2X2]- (X=Cl,Br), owing to both Coulomb repulsion and antiferromagnetic coupling. Photoelectron spectroscopy shows that both the parent and the fission fragments have similar electronic structures and confirms the inverted energy schemes due to the strong spin polarization of the Fe 3d levels. The current observation provides direct confirmation for the unusual spin couplings in the [Fe4S4X4]2- clusters, which contain two valent-delocalized and ferromagnetically coupled Fe2S2 subunits.

Introduction to Vocations Comprehensive Middle School Program: Mathematics Activities.

ERIC Educational Resources Information Center

Gartner, Karen; And Others

Junior high or middle school student activities in mathematics are provided for three entry level occupations in each of fifteen career clusters. The fifteen cluster titles including one of the three occupations for each cluster with an example of a student activity follow: (1) Agri-business and Natural Resources (cropdusting pilot, reading an…

Asymmetrical A-Frame Triplatinum Clusters Bridged by Small Organic Molecules and Bis((diphenylphosphino)methyl)phenylphosphine.

PubMed

Tanase, Tomoaki; Ukaji, Hirokazu; Igoshi, Toshiaki; Yamamoto, Yasuhiro

1996-07-03

Reactions of the linear triplatinum complex [Pt(3)(&mgr;-dpmp)(2)(XylNC)(2)](2+) (3) with small organic molecules led to formation of asymmetrical A-frame triplatinum complexes with an additional bridge across one of the metal-metal bonds, where dpmp is bis((diphenylphosphino)methyl)phenylphosphine. Reaction of complex 3 with electron deficient alkynes (R(1)C&tbd1;CR(2): R(1) = R(2) = CO(2)Me; R(1) = H, R(2) = CO(2)Me; R(1) = R(2) = CO(2)Et) afforded a new series of triplatinum clusters formulated as [Pt(3)(&mgr;-dpmp)(2)(&mgr;-R(1)CCR(2))(XylNC)(2)](PF(6))(2) (5a, R(1) = R(2) = CO(2)Me; 5b, R(1) = H, R(2) = CO(2)Me; 5c, R(1) = R(2) = CO(2)Et) in good yields. The complex cation of 5b was characterized by X-ray crystallography to have an asymmetrical A-frame structure comprising three Pt atoms bridged by two dpmp ligands, in which an acetylene molecule was inserted into one of the Pt-Pt bonds (triclinic, P&onemacr;, a = 19.507(3) Å, b = 20.327(4) Å, c = 14.499(4) Å, alpha = 107.69(2) degrees, beta = 102.08(2) degrees, gamma = 71.30(1) degrees, V = 5148 Å(3), Z = 2, R = 0.070, and R(w) = 0.084). The Pt-Pt bond length is 2.718(1) Å and the Pt.Pt nonbonded distance is 3.582(1) Å. Treatment of 3 with an excess of HBF(4).Et(2)O gave the asymmetrical cluster [Pt(3)(&mgr;-dpmp)(2)(&mgr;-H)(XylNC)(2)](BF(4))(3).CH(2)Cl(2) (6.CH(2)Cl(2)), in 61% yield, and a similar reaction with p-NO(2)C(6)H(4)NC led to the formation of [Pt(3)(&mgr;-dpmp)(2)(&mgr;-R(3)NC)(XylNC)(2)](PF(6))(2).CH(2)Cl(2) (7.CH(2)Cl(2)) in 94% yield (R(3) = p-NO(2)C(6)H(4)). Complexes 6 and 7 are assumed to have a single atom-bridged, asymmetrical A-frame structures. Reaction of the complex syn-[Pt(2)(&mgr;-dpmp)(2)(XylNC)(2)](2+) (1) with [MCl(2)(cod)] (M = Pt, Pd) gave the dimer-monomer combined trinuclear cluster [Pt(2)MCl(2)(&mgr;-dpmp)(2)(XylNC)(2)](PF(6))(2) (8a, M = Pt, 89%; 8b, M = Pd, 55%). The structure of 8a was determined by X-ray crystallography to be comprised of a metal-metal-bonded diplatinum core and a monomeric platinum center bridged by two dpmp ligands with a face-to-face arrangement (triclinic, P&onemacr;, a = 18.082(7) Å, b = 19.765(6) Å, c = 15.662(4) Å, alpha = 98.51(2) degrees, beta = 94.24(3) degrees, gamma = 109.82(2) degrees, V = 5161 Å(3), Z = 2, R = 0.069, and R(w) = 0.080). The Pt-Pt bond length is 2.681(2) Å and the Pt.Pt nonbonded distance is 3.219(2) Å. The heteronuclear complex 8b was transformed to an A-frame trinuclear cluster, [Pt(2)PdCl(&mgr;-Cl)(&mgr;-dpmp)(2)(XylNC)](PF(6))(2) (9), which was characterized by X-ray crystallography (monoclinic, C2/c, a = 33.750(9) Å, b = 28.289(9) Å, c = 23.845(8) Å, beta = 118.19(4) degrees, V = 20066 Å(3), Z = 8, R = 0.082, and R(w) = 0.077). The diplatinum unit (Pt-Pt = 2.606(2) Å) is connected to the mononuclear Pd center by a chloride bridge (Pt.Pd = 3.103(3) Å, Pt-Cl-Pd = 79.6(3) degrees ).

Understanding students' motivation in project work: a 2 x 2 achievement goal approach.

PubMed

Liu, Woon Chia; Wang, C K John; Tan, Oon Seng; Ee, Jessie; Koh, Caroline

2009-03-01

The project work (PW) initiative was launched in 2000 by the Ministry of Education, Singapore, to encourage application of knowledge across disciplines, and to develop thinking, communication, collaboration, and metacognitive skills. Although PW has been introduced for a few years, few studies have examined the motivation of students in PW, especially with the use of the recently proposed 2 x 2 achievement goal framework. To use a cluster analytic approach to identify students' achievement goal profiles at an intra-individual level, and to examine their links to various psychological characteristics and perceived outcomes in PW. Participants were 491 Secondary 2 students (mean age = 13.78, SD = 0.77) from two government coeducational schools. Cluster analysis was performed to identify distinct subgroups of students with similar achievement goal profiles. One-way MANOVAs, followed by post hoc Tukey HSD tests for pairwise comparisons were used to determine whether there was any significant difference amongst clusters in terms of the psychological characteristics and perceived outcomes in PW. Four distinct clusters of students were identified. The cluster with high achievement goals and the cluster with moderately high goals had the most positive psychological characteristics and perceived outcomes. In contrast, the cluster with very low scores for all four achievement goals had the most maladaptive profile. The study provides support for the 2 x 2 achievement goal framework, and demonstrates that multiple goals can operate simultaneously. However, it highlights the need for cross-cultural studies to look into the approach-avoidance dimension in the 2 x 2 achievement goal framework.

A 32 vertex polyhedron via supramolecular assembly of silanedithiolate silanolate units.

PubMed

Spirk, Stefan; Belaj, Ferdinand; Hurkes, Natascha; Pietschnig, Rudolf

2012-08-28

A high yield synthesis of the first silanedithiolate silanolate is reported which spontaneously assembles forming an inorganic rugby ball shaped 32 vertex polyhedral cluster stabilized by sterically demanding 2,6-dimesitylphenyl substituents and two LiCl units.

Hypotonic activation of short ClC3 isoform is modulated by direct interaction between its cytosolic C-terminal tail and subcortical actin filaments.

PubMed

McCloskey, Diana T; Doherty, Lynda; Dai, Yan-Ping; Miller, Lisa; Hume, Joseph R; Yamboliev, Ilia A

2007-06-08

Short ClC3 isoform (sClC3) functions as a volume-sensitive outwardly rectifying anion channel (VSOAC) in some cell types. In previous studies, we have shown that the hypotonic activation of sClC3 is linked to cell swelling-mediated remodeling of the actin cytoskeleton. In the present study, we have tested the hypothesis that the cytosolic tails of sClC3 bind to actin directly and that binding modulates the hypotonic activation of the channel. Co-sedimentation assays in vitro demonstrated a strong binding between the glutathione S-transferase-fused cytosolic C terminus of sClC3 (GST-sClC3-CT) to filamentous actin (F-actin) but not to globular monomeric actin (G-actin). The GST-fused N terminus (GST-sClC3-NT) exhibited low binding affinity to both G- and F-actin. Co-sedimentation experiments with progressively truncated GST-sClC3-CT indicated that the F-actin binding region is located between amino acids 690 and 760 of sClC3. Two synthetic peptides mapping basic clusters of the cytosolic sClC3-CT (CTP2, isoleucine 716 to leucine 734; and CTP3, proline 688 to proline 709) prevented binding of GST-sClC3-CT to F-actin in vitro. Dialysis into NIH/3T3 cells of these two peptides (but not of synthetic peptide CTP1 (isoleucine 737 to glutamine 748)) reduced the maximal current density by 60 and 38%, respectively. Based on these results, we have concluded that, by direct interaction with subcortical actin filaments, sClC3 contributes to the hypotonic stress-induced VSOACs in NIH/3T3 cells.

Dynamic competitive probabilistic principal components analysis.

PubMed

López-Rubio, Ezequiel; Ortiz-DE-Lazcano-Lobato, Juan Miguel

2009-04-01

We present a new neural model which extends the classical competitive learning (CL) by performing a Probabilistic Principal Components Analysis (PPCA) at each neuron. The model also has the ability to learn the number of basis vectors required to represent the principal directions of each cluster, so it overcomes a drawback of most local PCA models, where the dimensionality of a cluster must be fixed a priori. Experimental results are presented to show the performance of the network with multispectral image data.

The Classification of the Probability Unit Ability Levels of the Eleventh Grade Turkish Students by Cluster Analysis

ERIC Educational Resources Information Center

Ozyurt, Ozcan

2014-01-01

In this study, the probability unit ability levels of the eleventh grade Turkish students were classified through cluster analysis. The study was carried out in a high school located in Trabzon, Turkey during the fall semester of the 2011-2012 academic years. A total of 84 eleventh grade students participated. Students were taught about…

Trainable Students Enjoy Success

ERIC Educational Resources Information Center

Sugimoto, Roy; Xanthakis, Christie J.

1975-01-01

Examined were the effects of various approaches to production method, reinforcement type and supervisor attitude on the production output of 22 trainable retarded occupational training class students. (CL)

THE ATACAMA COSMOLOGY TELESCOPE: PHYSICAL PROPERTIES OF SUNYAEV-ZEL'DOVICH EFFECT CLUSTERS ON THE CELESTIAL EQUATOR {sup ,}

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

Menanteau, Felipe; Hughes, John P.; Sifon, Cristobal

2013-03-01

We present the optical and X-ray properties of 68 galaxy clusters selected via the Sunyaev-Zel'dovich (SZ) effect at 148 GHz by the Atacama Cosmology Telescope (ACT). Our sample, from an area of 504 deg{sup 2} centered on the celestial equator, is divided into two regions. The main region uses 270 deg{sup 2} of the ACT survey that overlaps with the co-added ugriz imaging from the Sloan Digital Sky Survey (SDSS) over Stripe 82 plus additional near-infrared pointed observations with the Apache Point Observatory 3.5 m telescope. We confirm a total of 49 clusters to z Almost-Equal-To 1.3, of which 22more » (all at z > 0.55) are new discoveries. For the second region, the regular-depth SDSS imaging allows us to confirm 19 more clusters up to z Almost-Equal-To 0.7, of which 10 systems are new. We present the optical richness, photometric redshifts, and separation between the SZ position and the brightest cluster galaxy (BCG). We find no significant offset between the cluster SZ centroid and BCG location and a weak correlation between optical richness and SZ-derived mass. We also present X-ray fluxes and luminosities from the ROSAT All Sky Survey which confirm that this is a massive sample. One of the newly discovered clusters, ACT-CL J0044.4+0113 at z = 1.1 (photometric), has an integrated XMM-Newton X-ray temperature of kT{sub X} = 7.9 {+-} 1.0 keV and combined mass of M {sub 200a} = 8.2{sup +3.3} {sub -2.5} Multiplication-Sign 10{sup 14} h {sup -1} {sub 70} M {sub Sun }, placing it among the most massive and X-ray-hot clusters known at redshifts beyond z = 1. We also highlight the optically rich cluster ACT-CL J2327.4-0204 (RCS2 2327) at z = 0.705 (spectroscopic) as the most significant detection of the whole equatorial sample with a Chandra-derived mass of M {sub 200a} = 1.9{sup +0.6} {sub -0.4} Multiplication-Sign 10{sup 15} h {sup -1} {sub 70} M {sub Sun }, placing it in the ranks of the most massive known clusters like El Gordo and the Bullet Cluster.« less

Segmenting Student Markets with a Student Satisfaction and Priorities Survey.

ERIC Educational Resources Information Center

Borden, Victor M. H.

1995-01-01

A market segmentation analysis of 872 university students compared 2 hierarchical clustering procedures for deriving market segments: 1 using matching-type measures and an agglomerative clustering algorithm, and 1 using the chi-square based automatic interaction detection. Results and implications for planning, evaluating, and improving academic…

Google Classroom and Open Clusters: An Authentic Science Research Project for High School Students

NASA Astrophysics Data System (ADS)

Johnson, Chelen H.; Linahan, Marcella; Cuba, Allison Frances; Dickmann, Samantha Rose; Hogan, Eleanor B.; Karos, Demetra N.; Kozikowski, Kendall G.; Kozikowski, Lauren Paige; Nelson, Samantha Brooks; O'Hara, Kevin Thomas; Ropinski, Brandi Lucia; Scarpa, Gabriella; Garmany, Catharine D.

2016-01-01

STEM education is about offering unique opportunities to our students. For the past three years, students from two high schools (Breck School in Minneapolis, MN, and Carmel Catholic High School in Mundelein, IL) have collaborated on authentic astronomy research projects. This past year they surveyed archival data of open clusters to determine if a clear turnoff point could be unequivocally determined. Age and distance to each open cluster were calculated. Additionally, students requested time on several telescopes to obtain original data to compare to the archival data. Students from each school worked in collaborative teams, sharing and verifying results through regular online hangouts and chats. Work papers were stored in a shared drive and on a student-designed Google site to facilitate dissemination of documents between the two schools.

Clustering and Profiling Students According to Their Interactions with an Intelligent Tutoring System Fostering Self-Regulated Learning

ERIC Educational Resources Information Center

Bouchet, Francois; Harley, Jason M.; Trevors, Gregory J.; Azevedo, Roger

2013-01-01

In this paper, we present the results obtained using a clustering algorithm (Expectation-Maximization) on data collected from 106 college students learning about the circulatory system with MetaTutor, an agent-based Intelligent Tutoring System (ITS) designed to foster self-regulated learning (SRL). The three extracted clusters were validated and…

Linking Strengths: Identifying and Exploring Protective Factor Clusters in Academically Resilient Low-Socioeconomic Urban Students of Color

ERIC Educational Resources Information Center

Morales, Erik E.

2010-01-01

Based on data from qualitative interviews with 50 high-achieving low-socioeconomic students of color, two "clusters" of important and symbiotic protective factors are identified and explored. Each cluster consists of a series of interrelated protective factors identified by the participants as crucial to their statistically exceptional academic…

Increasing the doping efficiency by surface energy control for ultra-transparent graphene conductors.

PubMed

Chang, Kai-Wen; Hsieh, Ya-Ping; Ting, Chu-Chi; Su, Yen-Hsun; Hofmann, Mario

2017-08-22

Graphene's attractiveness in many applications is limited by its high resistance. Extrinsic doping has shown promise to overcome this challenge but graphene's performance remains below industry requirements. This issue is caused by a limited charge transfer efficiency (CTE) between dopant and graphene. Using AuCl 3 as a model system, we measure CTE as low as 5% of the expected values due to the geometrical capacitance of small adsorbate clusters. We here demonstrate a strategy for enhancing the CTE by a two-step optimization of graphene's surface energy prior to AuCl 3 doping. First, exposure to UV ozone modified the hydrophilicity of graphene and was found to decrease the cluster's geometric capacitance, which had a direct effect on the CTE. Occurrence of lattice defects at high UV exposure, however, deteriorated graphene's transport characteristics and limited the effectiveness of this pretreatment step. Thus, prior to UV exposure, a functionalized polymer layer was introduced that could further enhance graphene's surface energy while protecting it from damage. Combination of these treatment steps were found to increase the AuCl 3 charge transfer efficiency to 70% and lower the sheet resistance to 106 Ω/γ at 97% transmittance which represents the highest reported performance for doped single layer graphene and is on par with commercially available transparent conductors.

Analytic first derivatives for a spin-adapted open-shell coupled cluster theory: Evaluation of first-order electrical properties

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

Datta, Dipayan, E-mail: datta@uni-mainz.de; Gauss, Jürgen, E-mail: gauss@uni-mainz.de

2014-09-14

An analytic scheme is presented for the evaluation of first derivatives of the energy for a unitary group based spin-adapted coupled cluster (CC) theory, namely, the combinatoric open-shell CC (COSCC) approach within the singles and doubles approximation. The widely used Lagrange multiplier approach is employed for the derivation of an analytical expression for the first derivative of the energy, which in combination with the well-established density-matrix formulation, is used for the computation of first-order electrical properties. Derivations of the spin-adapted lambda equations for determining the Lagrange multipliers and the expressions for the spin-free effective density matrices for the COSCC approachmore » are presented. Orbital-relaxation effects due to the electric-field perturbation are treated via the Z-vector technique. We present calculations of the dipole moments for a number of doublet radicals in their ground states using restricted open-shell Hartree-Fock (ROHF) and quasi-restricted HF (QRHF) orbitals in order to demonstrate the applicability of our analytic scheme for computing energy derivatives. We also report calculations of the chlorine electric-field gradients and nuclear quadrupole-coupling constants for the CCl, CH{sub 2}Cl, ClO{sub 2}, and SiCl radicals.« less

Ab Initio Study of KCl and AgCl Clusters.

NASA Astrophysics Data System (ADS)

McKeough, James; Hira, Ajit; Cathey, Tommy; Valdez, Alexandra

This paper presents a theoretical study of molecular clusters that examines the chemical and physical properties of small KnCln and AgnCln clusters (n = 2 - 24). Due to combinations of attractive and repulsive long-range forces, such clusters exhibit structural and dynamical behavior different from that of homogeneous clusters. The potentially important role of these molecular species in biochemical and medicinal processes is widely known. This work applies the hybrid ab initio methods to derive the different alkali-halide (MnHn) geometries. Of particular interest is the competition between hexagonal ring geometries and rock salt structures. Electronic energies, rotational constants, dipole moments, and vibrational frequencies for these geometries are calculated. Magic numbers for cluster stability are identified and are related to the property of cluster compactness. Mapping of the singlet, triplet, and quintet, potential energy surfaces is performed. Calculations were performed to examine the interactions of these clusters with some atoms and molecules of biological interest, including O, O2, and Fe. Potential design of new medicinal drugs is explored. We will also investigate model and material dependence of the results. AMP program of the National Science Foundation.

Selective synthesis of FAU-type zeolites

NASA Astrophysics Data System (ADS)

Garcia, Gustavo; Cabrera, Saúl; Hedlund, Jonas; Mouzon, Johanne

2018-05-01

In the present work, parameters influencing the selectivity of the synthesis of FAU-zeolites from diatomite were studied. The final products after varying synthesis time were characterized by scanning electron microscopy, energy dispersive spectroscopy, X-ray diffraction and gas adsorption. It was found that high concentrations of NaCl could completely inhibit the formation of zeolite P, which otherwise usually forms as soon as maximum FAU crystallinity is reached. In the presence of NaCl, the FAU crystals were stable for extended time after completed crystallization of FAU before formation of sodalite. It was also found that addition of NaCl barely changed the crystallization kinetics of FAU zeolite and only reduced the final FAU particle size and SiO2/Al2O3 ratio slightly. Other salts containing either Na or Cl were also investigated. Our results suggest that there is a synergistic effect between Na+ and Cl-. This is attributed to the formation of (Na4Cl)3+ clusters that stabilize the sodalite cages. This new finding may be used to increase the selectivity of syntheses leading to FAU-zeolites and avoid the formation of undesirable by-products, especially if impure natural sources of aluminosilica are used.

Two-Dimensional Cadmium Chloride Nanosheets in Cadmium Telluride Solar Cells.

PubMed

Perkins, Craig L; Beall, Carolyn; Reese, Matthew O; Barnes, Teresa M

2017-06-21

In this study we make use of a liquid nitrogen-based thermomechanical cleavage technique and a surface analysis cluster tool to probe in detail the tin oxide/emitter interface at the front of completed CdTe solar cells. We show that this thermomechanical cleavage occurs within a few angstroms of the SnO 2 /emitter interface. An unexpectedly high concentration of chlorine at this interface, ∼20%, was determined from a calculation that assumed a uniform chlorine distribution. Angle-resolved X-ray photoelectron spectroscopy was used to further probe the structure of the chlorine-containing layer, revealing that both sides of the cleave location are covered by one-third of a unit cell of pure CdCl 2 , a thickness corresponding to about one Cl-Cd-Cl molecular layer. We interpret this result in the context of CdCl 2 being a true layered material similar to transition-metal dichalcogenides. Exposing cleaved surfaces to water shows that this Cl-Cd-Cl trilayer is soluble, raising questions pertinent to cell reliability. Our work provides new and unanticipated details about the structure and chemistry of front surface interfaces and should prove important to improving materials, processes, and reliability of next-generation CdTe-based solar cells.

fast_protein_cluster: parallel and optimized clustering of large-scale protein modeling data.

PubMed

Hung, Ling-Hong; Samudrala, Ram

2014-06-15

fast_protein_cluster is a fast, parallel and memory efficient package used to cluster 60 000 sets of protein models (with up to 550 000 models per set) generated by the Nutritious Rice for the World project. fast_protein_cluster is an optimized and extensible toolkit that supports Root Mean Square Deviation after optimal superposition (RMSD) and Template Modeling score (TM-score) as metrics. RMSD calculations using a laptop CPU are 60× faster than qcprot and 3× faster than current graphics processing unit (GPU) implementations. New GPU code further increases the speed of RMSD and TM-score calculations. fast_protein_cluster provides novel k-means and hierarchical clustering methods that are up to 250× and 2000× faster, respectively, than Clusco, and identify significantly more accurate models than Spicker and Clusco. fast_protein_cluster is written in C++ using OpenMP for multi-threading support. Custom streaming Single Instruction Multiple Data (SIMD) extensions and advanced vector extension intrinsics code accelerate CPU calculations, and OpenCL kernels support AMD and Nvidia GPUs. fast_protein_cluster is available under the M.I.T. license. (http://software.compbio.washington.edu/fast_protein_cluster) © The Author 2014. Published by Oxford University Press.

Conceptions of Memorizing and Understanding in Learning, and Self-Efficacy Held by University Biology Majors

NASA Astrophysics Data System (ADS)

Lin, Tzu-Chiang; Liang, Jyh-Chong; Tsai, Chin-Chung

2015-02-01

This study aims to explore Taiwanese university students' conceptions of learning biology as memorizing or as understanding, and their self-efficacy. To this end, two questionnaires were utilized to survey 293 Taiwanese university students with biology-related majors. A questionnaire for measuring students' conceptions of memorizing and understanding was validated through an exploratory factor analysis of participants' responses. As for the questionnaire regarding the students' biology learning self-efficacy (BLSE), an exploratory factor analysis revealed a total of four factors including higher-order cognitive skills (BLSE-HC), everyday application (BLSE-EA), science communication (BLSE-SC), and practical works (BLSE-PW). The results of the cluster analysis according to the participants' conceptions of learning biology indicated that students in the two major clusters either viewed learning biology as understanding or possessed mixed-conceptions of memorizing and understanding. The students in the third cluster mainly focused on memorizing in their learning while the students in the fourth cluster showed less agreement with both conceptions of memorizing and understanding. This study further revealed that the conception of learning as understanding was positively associated with the BLSE of university students with biology-related majors. However, the conception of learning as memorizing may foster students' BLSE only when such a notion co-exists with the conception of learning with understanding.

Isomers and energy landscapes of micro-hydrated sulfite and chlorate clusters

NASA Astrophysics Data System (ADS)

Hey, John C.; Doyle, Emily J.; Chen, Yuting; Johnston, Roy L.

2018-03-01

We present putative global minima for the micro-hydrated sulfite SO32-(H2O)N and chlorate ClO32(H2O)N systems in the range 3≤N≤15 found using basin-hopping global structure optimization with an empirical potential. We present a structural analysis of the hydration of a large number of minimized structures for hydrated sulfite and chlorate clusters in the range 3≤N≤50. We show that sulfite is a significantly stronger net acceptor of hydrogen bonding within water clusters than chlorate, completely suppressing the appearance of hydroxyl groups pointing out from the cluster surface (dangling OH bonds), in low-energy clusters. We also present a qualitative analysis of a highly explored energy landscape in the region of the global minimum of the eight water hydrated sulfite and chlorate systems. This article is part of the theme issue `Modern theoretical chemistry'.

Isomers and energy landscapes of micro-hydrated sulfite and chlorate clusters.

PubMed

Hey, John C; Doyle, Emily J; Chen, Yuting; Johnston, Roy L

2018-03-13

We present putative global minima for the micro-hydrated sulfite SO 3 2- (H 2 O) N and chlorate ClO 3 - (H 2 O) N systems in the range 3≤ N ≤15 found using basin-hopping global structure optimization with an empirical potential. We present a structural analysis of the hydration of a large number of minimized structures for hydrated sulfite and chlorate clusters in the range 3≤ N ≤50. We show that sulfite is a significantly stronger net acceptor of hydrogen bonding within water clusters than chlorate, completely suppressing the appearance of hydroxyl groups pointing out from the cluster surface (dangling OH bonds), in low-energy clusters. We also present a qualitative analysis of a highly explored energy landscape in the region of the global minimum of the eight water hydrated sulfite and chlorate systems.This article is part of the theme issue 'Modern theoretical chemistry'. © 2018 The Authors.

SCUD: fast structure clustering of decoys using reference state to remove overall rotation.

PubMed

Li, Hongzhi; Zhou, Yaoqi

2005-08-01

We developed a method for fast decoy clustering by using reference root-mean-squared distance (rRMSD) rather than commonly used pairwise RMSD (pRMSD) values. For 41 proteins with 2000 decoys each, the computing efficiency increases nine times without a significant change in the accuracy of near-native selections. Tests on additional protein decoys based on different reference conformations confirmed this result. Further analysis indicates that the pRMSD and rRMSD values are highly correlated (with an average correlation coefficient of 0.82) and the clusters obtained from pRMSD and rRMSD values are highly similar (the representative structures of the top five largest clusters from the two methods are 74% identical). SCUD (Structure ClUstering of Decoys) with an automatic cutoff value is available at http://theory.med.buffalo.edu. (c) 2005 Wiley Periodicals, Inc.

Simulated Job Samples: A Student-Centered Approach to Vocational Exploration and Evaluation.

ERIC Educational Resources Information Center

Richter-Stein, Caryn; Stodden, Robert A.

1981-01-01

Incorporating simulated job samples into the junior high school curriculum can provide vocational exploration opportunities as well as assessment data on special needs students. Students can participate as active learners and decision makers. (CL)

Reprint of "Spatial modeling of Cutaneous Leishmaniasis in Iran from 1983 to 2013".

PubMed

Holakouie-Naieni, Kourosh; Mostafavi, Ehsan; Boloorani, Ali Darvishi; Mohebali, Mehdi; Pakzad, Reza

2017-01-01

Cutaneous Leshmaniasis (CL), a parasitic skin infection caused by Leishmania species, is endemic in some regions of Iran. In this study, the effect of location on the incidence and distribution of CL in Iran was studied. We collected datas including the number of Cutaneous Leishmaniasis cases and populations at-risk of disease in Iran's different provinces reported by the Iranian ministry of health and the National Bureau of Statistics, respectively. Spatial modeling was performed using Arc GIS software. Descriptive maps, hotspot analysis, and high/low clustering analysis were used to demonstrate distribution of the cutaneous leishmaniasis, to determine regions at risk of disease's incidence, and to reach the most appropriate method for clustering of disease. The total number of cases of cutaneous leishmaniasis reported through the study period was 589,913. The annual incidence of CL was estimated to be 30.9 per 100,000 in Iranian population. We also demonstrated that Cutaneous leishmaniasis most prominently occurs in regions with dry and desert climates as well as in central parts of Iran. It affected the southwest of Iran between 1983 and 1997, and subsequently developed towards the center and the eastern between 1998 and 2013. Disease hotspots were focused in the provinces of Yazd, Khozestan and Kohgiloyeh-Boyer-Ahmad (p<0.05). No pattern of spatial clustering was observed. Cutaneous leishmaniasis is a major health problem which could be a serious threat for inhabitants who live in high-risk provinces of Iran; much more resources need to be allocated in these areas, to warrant the prevention as well as effectively management of this disease. Copyright © 2016 Elsevier B.V. All rights reserved.

Spatial modeling of cutaneous leishmaniasis in Iran from 1983 to 2013.

PubMed

Holakouie-Naieni, Kourosh; Mostafavi, Ehsan; Boloorani, Ali Darvishi; Mohebali, Mehdi; Pakzad, Reza

2017-02-01

Cutaneous Leshmaniasis (CL), a parasitic skin infection caused by Leishmania species, is endemic in some regions of Iran. In this study, the effect of location on the incidence and distribution of CL in Iran was studied. We collected datas including the number of Cutaneous Leishmaniasis cases and populations at-risk of disease in Iran's different provinces reported by the Iranian ministry of health and the National Bureau of Statistics, respectively. Spatial modeling was performed using Arc GIS software. Descriptive maps, hotspot analysis, and high/low clustering analysis were used to demonstrate distribution of the cutaneous leishmaniasis, to determine regions at risk of disease's incidence, and to reach the most appropriate method for clustering of disease. The total number of cases of cutaneous leishmaniasis reported through the study period was 589,913. The annual incidence of CL was estimated to be 30.9 per 100,000 in Iranian population. We also demonstrated that Cutaneous leishmaniasis most prominently occurs in regions with dry and desert climates as well as in central parts of Iran. It affected the southwest of Iran between 1983 and 1997, and subsequently developed towards the center and the eastern between 1998 and 2013. Disease hotspots were focused in the provinces of Yazd, Khozestan and Kohgiloyeh-Boyer-Ahmad (p<0.05). No pattern of spatial clustering was observed. Cutaneous leishmaniasis is a major health problem which could be a serious threat for inhabitants who live in high-risk provinces of Iran; much more resources need to be allocated in these areas, to warrant the prevention as well as effectively management of this disease. Copyright © 2016 Elsevier B.V. All rights reserved.

Dating Violence & Sexual Harassment across the Bully-Victim Continuum among Middle and High School Students

ERIC Educational Resources Information Center

Espelage, Dorothy L.; Holt, Melissa K.

2007-01-01

Associations among bullying, peer victimization, sexual harassment, and dating violence were examined among 684 middle and high school students. Cluster analysis of self-report measures revealed four distinct bully-victim subtypes: uninvolved, victims, bully-victims, and bullies. African-American students comprised the bully cluster more than…

The Health Cluster. Career Orientation Series.

ERIC Educational Resources Information Center

Ohio State Dept. of Education, Columbus. Div. of Vocational Education.

Developed to provide seventh and eight grade students information about careers in the health occupational cluster, this booklet may be used to integrate career information with various subject areas. (It is one of several student booklets developed for use in the Ohio Career Orientation Program at grades 7 and 8 to assist students in making…

The Personal Service Cluster. Career Orientation Series.

ERIC Educational Resources Information Center

Ohio State Dept. of Education, Columbus. Div. of Vocational Education.

Developed to provide seventh and eighth grade students information about careers in the personal service occupational cluster, this booklet may be used to integrate career information with various subject areas. (It is one of several student booklets developed for use in the Ohio Career Orientation Program at grades 7 and 8 to assist students in…

Exploring Manufacturing Occupations. Instructor's Guide. The Manufacturing Cluster.

ERIC Educational Resources Information Center

Fairleigh Dickinson Univ., Rutherford, NJ.

The major focus of this guide and its accompanying student manual (CE 010 397) is to help the student understand the manufacturing enterprise. (The guide and student manual are part of a manufacturing cluster series which addresses itself to career awareness, orientation, exploration, and preparation.) Seven sections are included. An overview of…

Biochemistry in an undergraduate writing-intensive first-year program: Seminar courses in drugs and bioethics.

PubMed

Mills, Kenneth V

2015-01-01

The College of the Holy Cross offers a universal first-year program called Montserrat, in which first-year students participate in a living-learning experience anchored by a yearlong seminar course. The seminar courses are part of a thematic cluster of four to eight courses; students in the cluster live together in a common dormitory and participate in shared co-curricular events designed to engage the entire cluster in intellectual discourse related to the theme. A two-semester seminar within the "Natural World" cluster was offered using biochemical principles as the underlying content. In the first semester, students were introduced to drug design, activity and abuse via student presentations and guided readings on ethnobotany, drug laws, drug use in religion, and prescription drug costs. In the second semester, students discussed primary readings in ethics followed by case study analyses of assisted reproduction technologies, informed consent, genetic privacy, performance enhancing drugs and genetically modified organisms. Student learning outcomes were evaluated via rubrics and a College-facilitated survey. © 2015 The International Union of Biochemistry and Molecular Biology.

Genome-wide identification and expression analysis of the ClTCP transcription factors in Citrullus lanatus.

PubMed

Shi, Pibiao; Guy, Kateta Malangisha; Wu, Weifang; Fang, Bingsheng; Yang, Jinghua; Zhang, Mingfang; Hu, Zhongyuan

2016-04-12

The plant-specific TCP transcription factor family, which is involved in the regulation of cell growth and proliferation, performs diverse functions in multiple aspects of plant growth and development. However, no comprehensive analysis of the TCP family in watermelon (Citrullus lanatus) has been undertaken previously. A total of 27 watermelon TCP encoding genes distributed on nine chromosomes were identified. Phylogenetic analysis clustered the genes into 11 distinct subgroups. Furthermore, phylogenetic and structural analyses distinguished two homology classes within the ClTCP family, designated Class I and Class II. The Class II genes were differentiated into two subclasses, the CIN subclass and the CYC/TB1 subclass. The expression patterns of all members were determined by semi-quantitative PCR. The functions of two ClTCP genes, ClTCP14a and ClTCP15, in regulating plant height were confirmed by ectopic expression in Arabidopsis wild-type and ortholog mutants. This study represents the first genome-wide analysis of the watermelon TCP gene family, which provides valuable information for understanding the classification and functions of the TCP genes in watermelon.

Positron annihilation spectroscopy of vacancy-related defects in CdTe:Cl and CdZnTe:Ge at different stoichiometry deviations

PubMed Central

Šedivý, L.; Čížek, J.; Belas, E.; Grill, R.; Melikhova, O.

2016-01-01

Positron annihilation spectroscopy (PAS) was used to examine the effect of defined Cd-rich and Te-rich annealing on point defects in Cl-doped CdTe and Ge-doped CdZnTe semi-insulating single crystals. The as-grown crystals contain open-volume defects connected with Cd vacancies . It was found that the Cd vacancies agglomerate into clusters coupled with Cl in CdTe:Cl, and in CdZnTe:Ge they are coupled with Ge donors. While annealing in Cd pressure reduces of the density, subsequent annealing in Te pressure restores . The CdTe:Cl contains negatively-charged shallow traps interpreted as Rydberg states of A-centres and representing the major positron trapping sites at low temperature. Positrons confined in the shallow traps exhibit lifetime, which is shorter than the CdTe bulk lifetime. Interpretation of the PAS data was successfully combined with electrical resistivity, Hall effect measurements and chemical analysis, and allowed us to determine the principal point defect densities. PMID:26860684

Career Cluster Activity Book, Intermediate Level. Learn About the Fifteen Career Clusters and Color the Pictures.

ERIC Educational Resources Information Center

White Hawk, Sharon, Ed.

Simple black and white illustrations portray one occupation for each of 15 career clusters. Directed toward the Indian student and showing Indians at work in the occupations depicted, the illustrations are intended to create an awareness, understanding, and motivation for Indian students to become involved in work, both on and off the reservation.…

Gravitational lens models of arcs in clusters

NASA Technical Reports Server (NTRS)

Bergmann, Anton G.; Petrosian, Vahe; Lynds, Roger

1990-01-01

It is now well established that the luminous arcs discovered in clusters of galaxies, in particular those in Abell 370 and Cluster 2244-02, are produced by gravitational lensing of background sources. The arcs are modeled and constraints are placed on the distribution of the mass in the clusters and the shape and size of the sources. The models require, as expected, a large amount of dark matter in the clusters and a mass-to blue-light ratio for the cluster which exceeds 100 solar mass/solar luminosity and could be as high as 1000 solar mass/solar luminosity depending on cosmological parameters and the distribution of the dark matter. Furthermore, it is found that in the case of the arc in A370 the dark matter must have a different distribution than the luminous galaxies, while for the arc in Cl 2244 the dark matter can have a distribution similar to that of the light matter (galaxies) or a separate distribution.

Non-linear learning in online tutorial to enhance students’ knowledge on normal distribution application topic

NASA Astrophysics Data System (ADS)

Kartono; Suryadi, D.; Herman, T.

2018-01-01

This study aimed to analyze the enhancement of non-linear learning (NLL) in the online tutorial (OT) content to students’ knowledge of normal distribution application (KONDA). KONDA is a competence expected to be achieved after students studied the topic of normal distribution application in the course named Education Statistics. The analysis was performed by quasi-experiment study design. The subject of the study was divided into an experimental class that was given OT content in NLL model and a control class which was given OT content in conventional learning (CL) model. Data used in this study were the results of online objective tests to measure students’ statistical prior knowledge (SPK) and students’ pre- and post-test of KONDA. The statistical analysis test of a gain score of KONDA of students who had low and moderate SPK’s scores showed students’ KONDA who learn OT content with NLL model was better than students’ KONDA who learn OT content with CL model. Meanwhile, for students who had high SPK’s scores, the gain score of students who learn OT content with NLL model had relatively similar with the gain score of students who learn OT content with CL model. Based on those findings it could be concluded that the NLL model applied to OT content could enhance KONDA of students in low and moderate SPK’s levels. Extra and more challenging didactical situation was needed for students in high SPK’s level to achieve the significant gain score.

The Effects of Comprehension Monitoring Training on the Reading Competence of Learning Disabled and Regular Class Students.

ERIC Educational Resources Information Center

Chan, Lorna K. S.; Cole, Peter G.

1986-01-01

A study involving 36 (10-12 years) learning disabled (LD) students with reading problems and 36 regular class students matched with LD subjects for reading age demonstrated the benefit of training LD students to use metacognitive activities in reading comprehension. (Author/CL)

Self-Regulation, Cooperative Learning, and Academic Self-Efficacy: Interactions to Prevent School Failure.

PubMed

Fernandez-Rio, Javier; Cecchini, Jose A; Méndez-Gimenez, Antonio; Mendez-Alonso, David; Prieto, Jose A

2017-01-01

Learning to learn and learning to cooperate are two important goals for individuals. Moreover, self regulation has been identified as fundamental to prevent school failure. The goal of the present study was to assess the interactions between self-regulated learning, cooperative learning and academic self-efficacy in secondary education students experiencing cooperative learning as the main pedagogical approach for at least one school year. 2.513 secondary education students (1.308 males, 1.205 females), 12-17 years old ( M = 13.85, SD = 1.29), enrolled in 17 different schools belonging to the National Network of Schools on Cooperative Learning in Spain agreed to participate. They all had experienced this pedagogical approach a minimum of one school year. Participants were asked to complete the cooperative learning questionnaire, the strategies to control the study questionnaire and the global academic self-efficacy questionnaire. Participants were grouped based on their perceptions on cooperative learning and self-regulated learning in their classes. A combination of hierarchical and κ -means cluster analyses was used. Results revealed a four-cluster solution: cluster one included students with low levels of cooperative learning, self-regulated learning and academic self-efficacy, cluster two included students with high levels of cooperative learning, self-regulated learning and academic self-efficacy, cluster three included students with high levels of cooperative learning, low levels of self-regulated learning and intermediate-low levels of academic self-efficacy, and, finally, cluster four included students with high levels of self-regulated learning, low levels of cooperative learning, and intermediate-high levels of academic self-efficacy. Self-regulated learning was found more influential than cooperative learning on students' academic self-efficacy. In cooperative learning contexts students interact through different types of regulations: self, co, and shared. Educators should be aware of these interactions, symmetrical or asymmetrical, because they determine the quality and quantity of the students' participation and achievements, and they are key elements to prevent school failure.

Elevated mixing ratios and sources of methyl chloride: Results from a survey in the Yangtze River Delta region of China

NASA Astrophysics Data System (ADS)

Song, Ping; Chan, Chuen-Yu; Geng, Fuhai; Yu, Qiong; Guo, Yifei; Yu, Lingwei

2012-02-01

Measurements of air samples collected at four urban sites in Shanghai, Taizhou, Liyang and Lin'an and a rural site in Chongming Island of the Yangtze River Delta (YRD) region of China revealed noticeably elevated mixing ratios of methyl chloride (CH3Cl). Median CH3Cl mixing ratios reached 0.9-3.9 ppbv at the five sampling locations, significantly higher than most of those reported for other regions in the world. Especially at Liyang site and Taizhou site, CH3Cl exhibited quite high levels with mixing ratios ranging from 0.9 up to 25.9 ppbv (n = 28) and 0.7 up to 17.3 ppbv (n = 29), respectively. With good correlation with methylene chloride (CH2Cl2) and ethylene dichloride (EDC), abundant CH3Cl in urban Shanghai, was mainly associated with industrial activities, although biomass burnings exist widely in rural areas of east China. The high concentrations and large variation of CH3Cl and EDC simultaneously appeared at Liyang site. Spikes of CH3Cl and EDC concentrations as well as toluene/benzene (T/B) ratios frequently present in easterly airflows indicated an important contribution from emissions of chemical plants clustering in the east of Liyang. Different emission sources may contribute to ambient CH3Cl at Taizhou site, which was suggested by the two kinds of linear regressions of CH3Cl to some other compounds detected. The substantially elevated CH3Cl levels suggest significant influence of intensive industrial activities on the YRD atmosphere.

XMM-Newton X-ray and HST weak gravitational lensing study of the extremely X-ray luminous galaxy cluster Cl J120958.9+495352 ( z = 0.902)

DOE PAGES

Tholken, Sophia; Schrabback, Tim; Reiprich, Thomas H.; ...

2018-03-05

Here, observations of relaxed, massive, and distant clusters can provide important tests of standard cosmological models, for example by using the gas mass fraction. To perform this test, the dynamical state of the cluster and its gas properties have to be investigated. X-ray analyses provide one of the best opportunities to access this information and to determine important properties such as temperature profiles, gas mass, and the total X-ray hydrostatic mass. For the last of these, weak gravitational lensing analyses are complementary independent probes that are essential in order to test whether X-ray masses could be biased.

XMM-Newton X-ray and HST weak gravitational lensing study of the extremely X-ray luminous galaxy cluster Cl J120958.9+495352 ( z = 0.902)

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

Tholken, Sophia; Schrabback, Tim; Reiprich, Thomas H.

Here, observations of relaxed, massive, and distant clusters can provide important tests of standard cosmological models, for example by using the gas mass fraction. To perform this test, the dynamical state of the cluster and its gas properties have to be investigated. X-ray analyses provide one of the best opportunities to access this information and to determine important properties such as temperature profiles, gas mass, and the total X-ray hydrostatic mass. For the last of these, weak gravitational lensing analyses are complementary independent probes that are essential in order to test whether X-ray masses could be biased.

Structural diversity in Ni II cluster chemistry: Ni 5, Ni 6, and {NiNa 2} n complexes bearing the Schiff-base ligand N-naphthalidene-2-amino-5-chlorobenzoic acid

DOE PAGES

Perlepe, Panagiota S.; Cunha-Silva, Luis; Bekiari, Vlasoula; ...

2016-05-23

The employment of the fluorescent bridging and chelating ligand N-naphthalidene-2-amino-5-chlorobenzoic acid (nacbH 2) in Ni II cluster chemistry has led to a series of pentanuclear and hexanuclear compounds with different structural motifs, magnetic and optical properties, as well as an interesting 1-D coordination polymer. Synthetic parameters such as the inorganic anion present in the NiX 2 starting materials (X = ClO 4 - or Cl -), the reaction solvent and the nature of the organic base employed for the deprotonation of nacbH 2 were also proved to be structure-directing components. Undoubtedly, the reported results demonstrate the rich coordination chemistry ofmore » nacbH 2 in the presence of Ni II metal ions and the ability of this chelate to adopt a variety of different modes, thus fostering the formation of high-nuclearity molecules with many physical properties.« less

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

Hadgu, Teklu; Appel, Gordon John

Sandia National Laboratories (SNL) continued evaluation of total system performance assessment (TSPA) computing systems for the previously considered Yucca Mountain Project (YMP). This was done to maintain the operational readiness of the computing infrastructure (computer hardware and software) and knowledge capability for total system performance assessment (TSPA) type analysis, as directed by the National Nuclear Security Administration (NNSA), DOE 2010. This work is a continuation of the ongoing readiness evaluation reported in Lee and Hadgu (2014) and Hadgu et al. (2015). The TSPA computing hardware (CL2014) and storage system described in Hadgu et al. (2015) were used for the currentmore » analysis. One floating license of GoldSim with Versions 9.60.300, 10.5 and 11.1.6 was installed on the cluster head node, and its distributed processing capability was mapped on the cluster processors. Other supporting software were tested and installed to support the TSPA-type analysis on the server cluster. The current tasks included verification of the TSPA-LA uncertainty and sensitivity analyses, and preliminary upgrade of the TSPA-LA from Version 9.60.300 to the latest version 11.1. All the TSPA-LA uncertainty and sensitivity analyses modeling cases were successfully tested and verified for the model reproducibility on the upgraded 2014 server cluster (CL2014). The uncertainty and sensitivity analyses used TSPA-LA modeling cases output generated in FY15 based on GoldSim Version 9.60.300 documented in Hadgu et al. (2015). The model upgrade task successfully converted the Nominal Modeling case to GoldSim Version 11.1. Upgrade of the remaining of the modeling cases and distributed processing tasks will continue. The 2014 server cluster and supporting software systems are fully operational to support TSPA-LA type analysis.« less

Music training and semantic clustering in college students.

PubMed

Hogan, David E; Huesman, Thomas

2008-12-01

College students with 5 or more years of music training recalled significantly more words from a 16-item word list than did students with 0-4 years of training. The superior recall of the extensively trained students linked to better application of a semantic-clustering strategy across a series of 3 test trials. Music education and language experience may have similar influences on the development of verbal memory.

Tobacco, Marijuana, and Alcohol Use in University Students: A Cluster Analysis

PubMed Central

Primack, Brian A.; Kim, Kevin H.; Shensa, Ariel; Sidani, Jaime E.; Barnett, Tracey E.; Switzer, Galen E.

2012-01-01

Objective Segmentation of populations may facilitate development of targeted substance abuse prevention programs. We aimed to partition a national sample of university students according to profiles based on substance use. Participants We used 2008–2009 data from the National College Health Assessment from the American College Health Association. Our sample consisted of 111,245 individuals from 158 institutions. Method We partitioned the sample using cluster analysis according to current substance use behaviors. We examined the association of cluster membership with individual and institutional characteristics. Results Cluster analysis yielded six distinct clusters. Three individual factors—gender, year in school, and fraternity/sorority membership—were the most strongly associated with cluster membership. Conclusions In a large sample of university students, we were able to identify six distinct patterns of substance abuse. It may be valuable to target specific populations of college-aged substance users based on individual factors. However, comprehensive intervention will require a multifaceted approach. PMID:22686360

Blue emitting undecaplatinum clusters

NASA Astrophysics Data System (ADS)

Chakraborty, Indranath; Bhuin, Radha Gobinda; Bhat, Shridevi; Pradeep, T.

2014-07-01

A blue luminescent 11-atom platinum cluster showing step-like optical features and the absence of plasmon absorption was synthesized. The cluster was purified using high performance liquid chromatography (HPLC). Electrospray ionization (ESI) and matrix assisted laser desorption ionization (MALDI) mass spectrometry (MS) suggest a composition, Pt11(BBS)8, which was confirmed by a range of other experimental tools. The cluster is highly stable and compatible with many organic solvents.A blue luminescent 11-atom platinum cluster showing step-like optical features and the absence of plasmon absorption was synthesized. The cluster was purified using high performance liquid chromatography (HPLC). Electrospray ionization (ESI) and matrix assisted laser desorption ionization (MALDI) mass spectrometry (MS) suggest a composition, Pt11(BBS)8, which was confirmed by a range of other experimental tools. The cluster is highly stable and compatible with many organic solvents. Electronic supplementary information (ESI) available: Details of experimental procedures, instrumentation, chromatogram of the crude cluster; SEM/EDAX, DLS, PXRD, TEM, FT-IR, and XPS of the isolated Pt11 cluster; UV/Vis, MALDI MS and SEM/EDAX of isolated 2 and 3; and 195Pt NMR of the K2PtCl6 standard. See DOI: 10.1039/c4nr02778g

The Atacama Cosmology Telescope: Sunyaev-Zel'dovich-Selected Galaxy Clusters AT 148 GHz in the 2008 Survey

NASA Technical Reports Server (NTRS)

Marriage, Tobias A.; Acquaviva, Viviana; Ade, Peter A. R.; Aguirre, Paula; Amiri, Mandana; Appel, John William; Barrientos, L. Felipe; Battistelli, Elia S.; Bond, J. Richard; Brown, Ben;

Quantum wavepacket ab initio molecular dynamics: an approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effects.

PubMed

Sumner, Isaiah; Iyengar, Srinivasan S

2007-10-18

We have introduced a computational methodology to study vibrational spectroscopy in clusters inclusive of critical nuclear quantum effects. This approach is based on the recently developed quantum wavepacket ab initio molecular dynamics method that combines quantum wavepacket dynamics with ab initio molecular dynamics. The computational efficiency of the dynamical procedure is drastically improved (by several orders of magnitude) through the utilization of wavelet-based techniques combined with the previously introduced time-dependent deterministic sampling procedure measure to achieve stable, picosecond length, quantum-classical dynamics of electrons and nuclei in clusters. The dynamical information is employed to construct a novel cumulative flux/velocity correlation function, where the wavepacket flux from the quantized particle is combined with classical nuclear velocities to obtain the vibrational density of states. The approach is demonstrated by computing the vibrational density of states of [Cl-H-Cl]-, inclusive of critical quantum nuclear effects, and our results are in good agreement with experiment. A general hierarchical procedure is also provided, based on electronic structure harmonic frequencies, classical ab initio molecular dynamics, computation of nuclear quantum-mechanical eigenstates, and employing quantum wavepacket ab initio dynamics to understand vibrational spectroscopy in hydrogen-bonded clusters that display large degrees of anharmonicities.

Using Targeted Active-Learning Exercises and Diagnostic Question Clusters to Improve Students' Understanding of Carbon Cycling in Ecosystems

ERIC Educational Resources Information Center

Maskiewicz, April Cordero; Griscom, Heather Peckham; Welch, Nicole Turrill

2012-01-01

In this study, we used targeted active-learning activities to help students improve their ways of reasoning about carbon flow in ecosystems. The results of a validated ecology conceptual inventory (diagnostic question clusters [DQCs]) provided us with information about students' understanding of and reasoning about transformation of inorganic and…

Cluster Analysis of Assessment in Anatomy and Physiology for Health Science Undergraduates

ERIC Educational Resources Information Center

Brown, Stephen; White, Sue; Power, Nicola

2016-01-01

Academic content common to health science programs is often taught to a mixed group of students; however, content assessment may be consistent for each discipline. This study used a retrospective cluster analysis on such a group, first to identify high and low achieving students, and second, to determine the distribution of students within…

Student Motivational Profiles in an Introductory MIS Course: An Exploratory Cluster Analysis

ERIC Educational Resources Information Center

Nelson, Klara

2014-01-01

This study profiles students in an introductory MIS course according to a variety of variables associated with choice of academic major. The data were collected through a survey administered to 12 sections of the course. A two-step cluster analysis was performed with gender as a categorical variable and students' perceptions of task value…

Benefits of off-campus education for students in the health sciences: a text-mining analysis.

PubMed

Nakagawa, Kazumasa; Asakawa, Yasuyoshi; Yamada, Keiko; Ushikubo, Mitsuko; Yoshida, Tohru; Yamaguchi, Haruyasu

2012-08-28

In Japan, few community-based approaches have been adopted in health-care professional education, and the appropriate content for such approaches has not been clarified. In establishing community-based education for health-care professionals, clarification of its learning effects is required. A community-based educational program was started in 2009 in the health sciences course at Gunma University, and one of the main elements in this program is conducting classes outside school. The purpose of this study was to investigate using text-analysis methods how the off-campus program affects students. In all, 116 self-assessment worksheets submitted by students after participating in the off-campus classes were decomposed into words. The extracted words were carefully selected from the perspective of contained meaning or content. With the selected terms, the relations to each word were analyzed by means of cluster analysis. Cluster analysis was used to select and divide 32 extracted words into four clusters: cluster 1-"actually/direct," "learn/watch/hear," "how," "experience/participation," "local residents," "atmosphere in community-based clinical care settings," "favorable," "communication/conversation," and "study"; cluster 2-"work of staff member" and "role"; cluster 3-"interaction/communication," "understanding," "feel," "significant/important/necessity," and "think"; and cluster 4-"community," "confusing," "enjoyable," "proactive," "knowledge," "academic knowledge," and "class." The students who participated in the program achieved different types of learning through the off-campus classes. They also had a positive impression of the community-based experience and interaction with the local residents, which is considered a favorable outcome. Off-campus programs could be a useful educational approach for students in health sciences.

A Proposed System for Differentiating Elementary Mathematics for Exceptionally Able Students.

ERIC Educational Resources Information Center

Sirr, Palma M.

1984-01-01

A pilot mathematics project for one exceptionally able elementary student expanded to include other students and schools. Project activities included a needs assessment and development of a learning center approach and materials to differentiate the core elementary mathematics curriculum. (CL)

The Microcomputer as an Administrative/Educational Tool in Education of the Hearing Impaired.

ERIC Educational Resources Information Center

Graham, Richard

1982-01-01

Administrative and instructional uses of microcomputers with hearing impaired students (infants to junior high level) are described. Uses include data storage and retrieval, maintenance of student history files, storage of test data, and vocabulary reinforcement for students. (CL)

Development of a problem - based learning (PBL) and cooperative learning (CL) transportation engineering course For undergraduate students.

DOT National Transportation Integrated Search

2008-08-01

This study reports the findings of a project that was done during the implementation of a : problem-based learning (PBL) and cooperative learning (CL) elements into an : undergraduate transportation engineering course. The study procedure used the st...

Density-based parallel skin lesion border detection with webCL

PubMed Central

2015-01-01

Background Dermoscopy is a highly effective and noninvasive imaging technique used in diagnosis of melanoma and other pigmented skin lesions. Many aspects of the lesion under consideration are defined in relation to the lesion border. This makes border detection one of the most important steps in dermoscopic image analysis. In current practice, dermatologists often delineate borders through a hand drawn representation based upon visual inspection. Due to the subjective nature of this technique, intra- and inter-observer variations are common. Because of this, the automated assessment of lesion borders in dermoscopic images has become an important area of study. Methods Fast density based skin lesion border detection method has been implemented in parallel with a new parallel technology called WebCL. WebCL utilizes client side computing capabilities to use available hardware resources such as multi cores and GPUs. Developed WebCL-parallel density based skin lesion border detection method runs efficiently from internet browsers. Results Previous research indicates that one of the highest accuracy rates can be achieved using density based clustering techniques for skin lesion border detection. While these algorithms do have unfavorable time complexities, this effect could be mitigated when implemented in parallel. In this study, density based clustering technique for skin lesion border detection is parallelized and redesigned to run very efficiently on the heterogeneous platforms (e.g. tablets, SmartPhones, multi-core CPUs, GPUs, and fully-integrated Accelerated Processing Units) by transforming the technique into a series of independent concurrent operations. Heterogeneous computing is adopted to support accessibility, portability and multi-device use in the clinical settings. For this, we used WebCL, an emerging technology that enables a HTML5 Web browser to execute code in parallel for heterogeneous platforms. We depicted WebCL and our parallel algorithm design. In addition, we tested parallel code on 100 dermoscopy images and showed the execution speedups with respect to the serial version. Results indicate that parallel (WebCL) version and serial version of density based lesion border detection methods generate the same accuracy rates for 100 dermoscopy images, in which mean of border error is 6.94%, mean of recall is 76.66%, and mean of precision is 99.29% respectively. Moreover, WebCL version's speedup factor for 100 dermoscopy images' lesion border detection averages around ~491.2. Conclusions When large amount of high resolution dermoscopy images considered in a usual clinical setting along with the critical importance of early detection and diagnosis of melanoma before metastasis, the importance of fast processing dermoscopy images become obvious. In this paper, we introduce WebCL and the use of it for biomedical image processing applications. WebCL is a javascript binding of OpenCL, which takes advantage of GPU computing from a web browser. Therefore, WebCL parallel version of density based skin lesion border detection introduced in this study can supplement expert dermatologist, and aid them in early diagnosis of skin lesions. While WebCL is currently an emerging technology, a full adoption of WebCL into the HTML5 standard would allow for this implementation to run on a very large set of hardware and software systems. WebCL takes full advantage of parallel computational resources including multi-cores and GPUs on a local machine, and allows for compiled code to run directly from the Web Browser. PMID:26423836

Density-based parallel skin lesion border detection with webCL.

PubMed

Lemon, James; Kockara, Sinan; Halic, Tansel; Mete, Mutlu

2015-01-01

Dermoscopy is a highly effective and noninvasive imaging technique used in diagnosis of melanoma and other pigmented skin lesions. Many aspects of the lesion under consideration are defined in relation to the lesion border. This makes border detection one of the most important steps in dermoscopic image analysis. In current practice, dermatologists often delineate borders through a hand drawn representation based upon visual inspection. Due to the subjective nature of this technique, intra- and inter-observer variations are common. Because of this, the automated assessment of lesion borders in dermoscopic images has become an important area of study. Fast density based skin lesion border detection method has been implemented in parallel with a new parallel technology called WebCL. WebCL utilizes client side computing capabilities to use available hardware resources such as multi cores and GPUs. Developed WebCL-parallel density based skin lesion border detection method runs efficiently from internet browsers. Previous research indicates that one of the highest accuracy rates can be achieved using density based clustering techniques for skin lesion border detection. While these algorithms do have unfavorable time complexities, this effect could be mitigated when implemented in parallel. In this study, density based clustering technique for skin lesion border detection is parallelized and redesigned to run very efficiently on the heterogeneous platforms (e.g. tablets, SmartPhones, multi-core CPUs, GPUs, and fully-integrated Accelerated Processing Units) by transforming the technique into a series of independent concurrent operations. Heterogeneous computing is adopted to support accessibility, portability and multi-device use in the clinical settings. For this, we used WebCL, an emerging technology that enables a HTML5 Web browser to execute code in parallel for heterogeneous platforms. We depicted WebCL and our parallel algorithm design. In addition, we tested parallel code on 100 dermoscopy images and showed the execution speedups with respect to the serial version. Results indicate that parallel (WebCL) version and serial version of density based lesion border detection methods generate the same accuracy rates for 100 dermoscopy images, in which mean of border error is 6.94%, mean of recall is 76.66%, and mean of precision is 99.29% respectively. Moreover, WebCL version's speedup factor for 100 dermoscopy images' lesion border detection averages around ~491.2. When large amount of high resolution dermoscopy images considered in a usual clinical setting along with the critical importance of early detection and diagnosis of melanoma before metastasis, the importance of fast processing dermoscopy images become obvious. In this paper, we introduce WebCL and the use of it for biomedical image processing applications. WebCL is a javascript binding of OpenCL, which takes advantage of GPU computing from a web browser. Therefore, WebCL parallel version of density based skin lesion border detection introduced in this study can supplement expert dermatologist, and aid them in early diagnosis of skin lesions. While WebCL is currently an emerging technology, a full adoption of WebCL into the HTML5 standard would allow for this implementation to run on a very large set of hardware and software systems. WebCL takes full advantage of parallel computational resources including multi-cores and GPUs on a local machine, and allows for compiled code to run directly from the Web Browser.

Study of Pair and many-body interactions in rare-gas halide atom clusters using negative ion zero electron kinetic energy (ZEKE) and threshold photodetachment spectroscopy

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

Yourshaw, Ivan

1998-07-09

The diatomic halogen atom-rare gas diatomic complexes KrBr -, XeBr -, and KrCl - are studied in this work by zero electron kinetic energy (ZEKE) spectroscopy in order to characterize the weak intermolecular diatomic potentials of these species. Also, the ZEKE and threshold photodetachment spectra of the polyatomic clusters Ar nBr - (n = 2-9) and Ar nI - (n = 2-19) are studied to obtain information about the non-additive effects on the interactions among the atoms. This work is part of an ongoing effort to characterize the pair and many-body potentials of the complete series of rare gas halidemore » clusters. In these studies we obtain information about both the anionic and neutral clusters.« less

The photoelectronic behaviors of MoO3-loaded ZrO2/carbon cluster nanocomposite materials

NASA Astrophysics Data System (ADS)

Matsui, H.; Ishiko, A.; Karuppuchamy, S.; Hassan, M. A.; Yoshihara, M.

2012-03-01

A novel nano-sized ZrO2/carbon cluster composite materials (Ic's) were successfully obtained by the calcination of ZrCl4/starch complexes I's under an argon atmosphere. Pt- and/or MoO3-loaded ZrO2/carbon clusters composite materials were also prepared by doping Pt and/or MoO3 particles on the surface of Ic's. The surface characterization of the composite materials was carried out using transmission electron microscopy (TEM). The TEM observation of the materials showed the presence of particles with the diameters of a few nanometers, possibly Pt particles, and of 50-100 nm, possibly MoO3 particles, in the matrix. Pt- and/or MoO3-loaded ZrO2/carbon cluster composite materials show the efficient photocatalytic activity under visible light irradiation.

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

Hormain, Laureline; Monnerville, Maurice, E-mail: maurice.monnerville@univ-lille1.fr; Toubin, Céline

The chlorine/water interface is of crucial importance in the context of atmospheric chemistry. Modeling the structure and dynamics at this interface requires an accurate description of the interaction potential energy surfaces. We propose here an analytical intermolecular potential that reproduces the interaction between the Cl{sub 2} molecule and a water molecule. Our functional form is fitted to a set of high level ab initio data using the coupled-cluster single double (triple)/aug-cc-p-VTZ level of electronic structure theory for the Cl{sub 2} − H{sub 2}O complex. The potential fitted to reproduce the three minima structures of 1:1 complex is validated by themore » comparison of ab initio results of Cl{sub 2} interacting with an increasing number of water molecules. Finally, the model potential is used to study the physisorption of Cl{sub 2} on a perfectly ordered hexagonal ice slab. The calculated adsorption energy, in the range 0.27 eV, shows a good agreement with previous experimental results.« less

Star-like superalkali cations featuring planar pentacoordinate carbon

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

Guo, Jin-Chang; Tian, Wen-Juan; Zhao, Xue-Feng

Superalkali cations, known to possess low vertical electron affinities (VEAs), high vertical detachment energies, and large highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) energy gaps, are intriguing chemical species. Thermodynamically, such species need to be the global minima in order to serve as the promising targets for experimental realization. In this work, we propose the strategies of polyhalogenation and polyalkalination for designing the superalkali cations. By applying these strategies, the local-minimum planar pentacoordinate carbon (ppC) cluster CBe{sub 5} can be modified to form a series of star-like superalkali ppC or quasi-ppC CBe{sub 5}X{sub 5}{sup +} (X = F,more » Cl, Br, Li, Na, K) cations containing a CBe{sub 5} moiety. Polyhalogenation and polyalkalination on the CBe{sub 5} unit may help eliminate the high reactivity of bare CBe{sub 5} molecule by covering the reactive Be atoms with noble halogen anions and alkali cations. Computational exploration of the potential energy surfaces reveals that the star-like ppC or quasi-ppC CBe{sub 5}X{sub 5}{sup +} (X = F, Cl, Br, Li, Na, K) clusters are the true global minima of the systems. The predicted VEAs for CBe{sub 5}X{sub 5}{sup +} range from 3.01 to 3.71 eV for X = F, Cl, Br and 2.12–2.51 eV for X = Li, Na, K, being below the lower bound of the atomic ionization potential of 3.89 eV in the periodic table. Large HOMO-LUMO energy gaps are also revealed for the species: 10.76–11.07 eV for X = F, Cl, Br and 4.99–6.91 eV for X = Li, Na, K. These designer clusters represent the first series of superalkali cations with a ppC center. Bonding analyses show five Be–X–Be three-center two-electron (3c-2e) σ bonds for the peripheral bonding, whereas the central C atom is associated with one 6c-2e π bond and three 6c-2e σ bonds, rendering (π and σ) double aromaticity. Born-Oppenheimer molecular dynamics simulations indicate that the CBe{sub 5} motif is robust in the clusters. As planar hypercoordination carbon species are often thermodynamically unstable and highly reactive, the superalkali cation characters of these ppC species should be highlighted, which may be suitable for experimental realization.« less

Conjunctive Conceptual Clustering: A Methodology and Experimentation.

DTIC Science & Technology

1987-09-01

observing a typical restaurant table on vhich there are such objects as food on a plate, a salad, utensils, salt and pepper, napkins , a ase with flowers, a...colored graph has nodes and inks that match only if they have corre-ponding link-olor and node-color labelg 4w 80 [SEtexture sa lif ba p S M i e d If...LINK LINK LINK LINK LINK 9 0 1 OPENdRECT RECTLOD 1 2 CL 10 0 0 LINK LINK INK LINK LINK ,~ . 0.5. Input file for attribute-based clustering The

Collaborative Learning Practices: Teacher and Student Perceived Obstacles to Effective Student Collaboration

ERIC Educational Resources Information Center

Le, Ha; Janssen, Jeroen; Wubbels, Theo

2018-01-01

While the educational literature mentions several obstacles affecting the effectiveness of collaborative learning (CL), they have often been investigated through the perceptions of only one actor, either teachers or students. Therefore, some sources of obstacles that teachers and students encounter may not have been revealed. In this study, 19…

Solid-state NMR/NQR and first-principles study of two niobium halide cluster compounds.

PubMed

Perić, Berislav; Gautier, Régis; Pickard, Chris J; Bosiočić, Marko; Grbić, Mihael S; Požek, Miroslav

2014-01-01

Two hexanuclear niobium halide cluster compounds with a [Nb6X12](2+) (X=Cl, Br) diamagnetic cluster core, have been studied by a combination of experimental solid-state NMR/NQR techniques and PAW/GIPAW calculations. For niobium sites the NMR parameters were determined by using variable Bo field static broadband NMR measurements and additional NQR measurements. It was found that they possess large positive chemical shifts, contrary to majority of niobium compounds studied so far by solid-state NMR, but in accordance with chemical shifts of (95)Mo nuclei in structurally related compounds containing [Mo6Br8](4+) cluster cores. Experimentally determined δiso((93)Nb) values are in the range from 2,400 to 3,000 ppm. A detailed analysis of geometrical relations between computed electric field gradient (EFG) and chemical shift (CS) tensors with respect to structural features of cluster units was carried out. These tensors on niobium sites are almost axially symmetric with parallel orientation of the largest EFG and the smallest CS principal axes (Vzz and δ33) coinciding with the molecular four-fold axis of the [Nb6X12](2+) unit. Bridging halogen sites are characterized by large asymmetry of EFG and CS tensors, the largest EFG principal axis (Vzz) is perpendicular to the X-Nb bonds, while intermediate EFG principal axis (Vyy) and the largest CS principal axis (δ11) are oriented in the radial direction with respect to the center of the cluster unit. For more symmetrical bromide compound the PAW predictions for EFG parameters are in better correspondence with the NMR/NQR measurements than in the less symmetrical chlorine compound. Theoretically predicted NMR parameters of bridging halogen sites were checked by (79/81)Br NQR and (35)Cl solid-state NMR measurements. Copyright © 2014 Elsevier Inc. All rights reserved.

X-ray attenuation coefficients of high-atomic-number, hexanuclear transition metal cluster compounds: a new paradigm for radiographic contrast agents.

PubMed

Mullan, B F; Madsen, M T; Messerle, L; Kolesnichenko, V; Kruger, J

2000-04-01

The purpose of this study was to examine the radiologic attenuation properties of the parent cluster compounds, particularly attenuation as a function of discrete photon energy, before investigating ligand substitutions, which are necessary to improve cluster biocompatibility and to impart desirable physicochemical properties. The linear attenuation coefficients for solutions of the cluster compounds Ta6Br14, K8Ta6O19, and (H3O)2W6Cl14 were determined at 60, 80, 103, 122, and 140 keV from gamma-ray transmission measurements with americium-241, xenon-133, gadolinium-153, cobalt-57, and technetium-99m radioactive sources. Transmission measurements were obtained for a fixed time interval that ensured a statistically accurate count distribution exceeding 20,000 counts through the sample for each trial. On a strictly mole per liter basis, a 0.075 mol/L aqueous solution of K8Ta6O19 showed 1.08 times the attenuation of 0.063 mol/L aqueous iohexol at 60 keV and 3.30 times the attenuation at 80 keV. Similarly, a 0.05 mol/L methanolic solution of (H3O)2W6Cl4 showed 0.96 times (96%) the attenuation of 0.063 mol/L aqueous iohexol at 60 keV but 3.09 times the attenuation of the iohexol solution at 80 keV. Attenuations of 0.063 mol/L aqueous iohexol and 0.0125 mol/L Ta6Br14 (ie, at approximately one-fifth the iohexol concentration) were comparable at greater than 60 keV. These results confirm the theoretic potential for use of early transition metal cluster compounds as radiographic contrast agents. At higher x-ray energies, cluster compounds demonstrate multiplied x-ray attenuation relative to iodinated contrast agents.

DUST IN CLUSTERS: SEPARATING THE CONTRIBUTION OF GALAXIES AND INTRACLUSTER MEDIA

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

Gutiérrez, C. M.; López-Corredoira, M., E-mail: cgc@iac.es

We have analyzed a sample of 327 clusters of galaxies, spanning the range of 0.06–0.70 in redshift. Strong constraints on their mean intracluster emission of dust have been obtained using maps and catalogs from the Herschel MerMES project; within a radius of 5 arcmin centered in each cluster, the 95% C.L. limits obtained are 86.6, 48.2, and 30.9 mJy at the observed frequencies of 250, 350, and 500 μ m. From these restrictions, and assuming physical parameters typical of interstellar media in the Milky Way, we have obtained tight upper limits on the visual extinction of background galaxies due tomore » the intracluster media (ICM): A {sub V} (95% C.L.) ≲ 10{sup −3} mag. Strong constraints are also obtained for the mass of such dust; for instance, using the data at 350 μ m we establish a 95% upper limit of <10{sup 9} M {sub ⊙} within a circle with a radius of 5 arcmin centered in the clusters. This corresponds to a fraction of the total mass of the clusters of 9.5 × 10{sup −6}, and indicates a deficiency in the gas-to-dust ratio in the ICM by about three orders of magnitude in relation to the value found in the Milky Way. Computing the total infrared luminosity of the clusters in three ranges of redshift (0.05–0.24, 0.24–0.42, and 0.42–0.71) and two ranges of mass (<10{sup 14} and >10{sup 14} M {sub ⊙}), respectively, a strong evolution of luminosity in redshift ( L ∼ z {sup 1.5}) for both ranges of masses is found. The results indicate a strong declining in star formation rate with time in the last ∼6 Gyr.« less

Synthesis and Molecular Structure of a Novel Compound Containing a Carbonate-Bridged Hexacalcium Cluster Cation Assembled on a Trimeric Trititanium(IV)-Substituted Wells-Dawson Polyoxometalate.

PubMed

Hoshino, Takahiro; Isobe, Rina; Kaneko, Takuya; Matsuki, Yusuke; Nomiya, Kenji

2017-08-21

A novel compound containing a hexacalcium cluster cation, one carbonate anion, and one calcium cation assembled on a trimeric trititanium(IV)-substituted Wells-Dawson polyoxometalate (POM), [{Ca 6 (CO 3 )(μ 3 -OH)(OH 2 ) 18 }(P 2 W 15 Ti 3 O 61 ) 3 Ca(OH 2 ) 3 ] 19- (Ca 7 Ti 9 Trimer), was obtained as the Na 7 Ca 6 salt (NaCa-Ca 7 Ti 9 Trimer) by the reaction of calcium chloride with the monomeric trititanium(IV)-substituted Wells-Dawson POM species "[P 2 W 15 Ti 3 O 59 (OH) 3 ] 9- " (Ti 3 Monomer). Ti 3 Monomer was generated in situ under basic conditions from the separately prepared tetrameric species with bridging Ti(OH 2 ) 3 groups and an encapsulated Cl - ion, [{P 2 W 15 Ti 3 O 59 (OH) 3 } 4 {μ 3 -Ti(H 2 O) 3 } 4 Cl] 21- (Ti 16 Tetramer). The Na 7 Ca 6 salt of Ca 7 Ti 9 Trimer was characterized by complete elemental analysis, thermogravimetric (TG) and differential thermal analyses (DTA), FTIR, single-crystal X-ray structure analysis, and solution 183 W and 31 P NMR spectroscopy. X-ray crystallography revealed that the [Ca 6 (CO 3 )(μ 3 -OH)(OH 2 ) 18 ] 9+ cluster cation was composed of six calcium cations linked by one μ 6 -carbonato anion and one μ 3 -OH - anion. The cluster cation was assembled, together with one calcium ion, on a trimeric species composed of three tri-Ti(IV)-substituted Wells-Dawson subunits linked by Ti-O-Ti bonds. Ca 7 Ti 9 Trimer is an unprecedented POM species containing an alkaline-earth-metal cluster cation and is the first example of alkaline-earth-metal ions clustered around a titanium(IV)-substituted POM.

Risk Mapping and Situational Analysis of Cutaneous Leishmaniasis in an Endemic Area of Central Iran: A GIS-Based Survey.

PubMed

Abedi-Astaneh, Fatemeh; Hajjaran, Homa; Yaghoobi-Ershadi, Mohammad Reza; Hanafi-Bojd, Ahmad Ali; Mohebali, Mehdi; Shirzadi, Mohammad Reza; Rassi, Yavar; Akhavan, Amir Ahmad; Mahmoudi, Bagher

2016-01-01

Cutaneous leishmaniasis (CL) is among the top 10 infectious disease priorities in the world, and the leading cause of morbidity in Iran. The present study was conducted to assess the risk of CL, and to determine some epidemiological features of the disease in endemic areas of Qom Province in Central Iran during 2009 to 2013. Data regarding human cases of the disease were obtained from the Qom Province Health Center, prepared and stored in a spatial database created in ArcGIS10.3. A total of 9 out of 212 Leishmania spp. positive slides taken in 2013 from patients residing in Qom city were examined using molecular methods and the species of Leishmania was identified by PCR-RFLP. Those 9 patients had no history of travel outside the city. Spatial analysis and clustering methods were applied to find major hot spots and susceptible areas for the establishment of novel foci of the disease. Transmission patterns were examined for spatial autocorrelation using the Moran's I statistical application, and for the clustering of high or low values using the Getis-Ord Gi* statistics. During the period of study, a total of 1767 CL cases were passively reported in the area, out of which were 65% males and 35% females. The highest and lowest numbers of cases were reported in 2010 and 2013, respectively. Importantly, 979 cases were reported from urban areas, while the remainder came from rural areas. Leishmania major was detected as the causative agent of CL in the city of Qom. Remarkably, most patients recorded in Qom city were associated with a history of travel to the endemic areas of CL within the province, or to other endemic areas of the disease in Iran. Spatial distribution of CL cases revealed northeastern and southwestern quarters of the city were the major hot spots of the disease (P<0.05). Hot spot and CL transmission risk analysis across the province indicated that more than 40 villages were located in high and very high risk areas of CL transmission. Due to the existence of hot spots (P<0.05) of CL in successive years in some quarters of Qom city, along with detection of L. major from the patients without a history of travel, there may be potential of local transmission of the disease within the city. Therefore, it is necessary to conduct a comprehensive study concerning the hot spots of CL in Qom city for curtailing the incidence of the disease in the city. The methodology and the results of this study is essential in serving as a yardstick for subsequent similar studies that will be carried out in other endemic areas of CL in Iran and providing an adequate tool for the establishment of a national database of cutaneous leishmaniasis.

Risk Mapping and Situational Analysis of Cutaneous Leishmaniasis in an Endemic Area of Central Iran: A GIS-Based Survey

PubMed Central

Abedi-Astaneh, Fatemeh; Hajjaran, Homa; Yaghoobi-Ershadi, Mohammad Reza; Hanafi-Bojd, Ahmad Ali; Mohebali, Mehdi; Shirzadi, Mohammad Reza; Rassi, Yavar; Akhavan, Amir Ahmad; Mahmoudi, Bagher

2016-01-01

Introduction Cutaneous leishmaniasis (CL) is among the top 10 infectious disease priorities in the world, and the leading cause of morbidity in Iran. The present study was conducted to assess the risk of CL, and to determine some epidemiological features of the disease in endemic areas of Qom Province in Central Iran during 2009 to 2013. Methods Data regarding human cases of the disease were obtained from the Qom Province Health Center, prepared and stored in a spatial database created in ArcGIS10.3. A total of 9 out of 212 Leishmania spp. positive slides taken in 2013 from patients residing in Qom city were examined using molecular methods and the species of Leishmania was identified by PCR-RFLP. Those 9 patients had no history of travel outside the city. Spatial analysis and clustering methods were applied to find major hot spots and susceptible areas for the establishment of novel foci of the disease. Transmission patterns were examined for spatial autocorrelation using the Moran's I statistical application, and for the clustering of high or low values using the Getis-Ord Gi* statistics. Results During the period of study, a total of 1767 CL cases were passively reported in the area, out of which were 65% males and 35% females. The highest and lowest numbers of cases were reported in 2010 and 2013, respectively. Importantly, 979 cases were reported from urban areas, while the remainder came from rural areas. Leishmania major was detected as the causative agent of CL in the city of Qom. Remarkably, most patients recorded in Qom city were associated with a history of travel to the endemic areas of CL within the province, or to other endemic areas of the disease in Iran. Spatial distribution of CL cases revealed northeastern and southwestern quarters of the city were the major hot spots of the disease (P<0.05). Hot spot and CL transmission risk analysis across the province indicated that more than 40 villages were located in high and very high risk areas of CL transmission. Conclusions Due to the existence of hot spots (P<0.05) of CL in successive years in some quarters of Qom city, along with detection of L. major from the patients without a history of travel, there may be potential of local transmission of the disease within the city. Therefore, it is necessary to conduct a comprehensive study concerning the hot spots of CL in Qom city for curtailing the incidence of the disease in the city. The methodology and the results of this study is essential in serving as a yardstick for subsequent similar studies that will be carried out in other endemic areas of CL in Iran and providing an adequate tool for the establishment of a national database of cutaneous leishmaniasis. PMID:27574805

Managing Learning Disabled Students' Academic Frustration through Self-Control.

ERIC Educational Resources Information Center

Ammer, Jerome J.

1982-01-01

Teachers can help learning and behavior disordered students in middle and secondary grades develop self control through a strategy in which students are taught to stop, look, listen, and think before carrying out a task. The final step is to reinforce themselves. (CL)

Electronic Structure of the Kitaev Material α-RuCl3 Probed by Photoemission and Inverse Photoemission Spectroscopies

NASA Astrophysics Data System (ADS)

Sinn, Soobin; Kim, Choong Hyun; Kim, Beom Hyun; Lee, Kyung Dong; Won, Choong Jae; Oh, Ji Seop; Han, Moonsup; Chang, Young Jun; Hur, Namjung; Sato, Hitoshi; Park, Byeong-Gyu; Kim, Changyoung; Kim, Hyeong-Do; Noh, Tae Won

2016-12-01

Recently, α-RuCl3 has attracted much attention as a possible material to realize the honeycomb Kitaev model of a quantum-spin-liquid state. Although the magnetic properties of α-RuCl3 have been extensively studied, its electronic structure, which is strongly related to its Kitaev physics, is poorly understood. Here, the electronic structure of α-RuCl3 was investigated by photoemission (PE) and inverse-photoemission (IPE) spectroscopies. The band gap was directly measured from the PE and IPE spectra and was found to be 1.9 eV, much larger than previously estimated values. Local density approximation (LDA) calculations showed that the on-site Coulomb interaction U could open the band gap without spin-orbit coupling (SOC). However, the SOC should also be incorporated to reproduce the proper gap size, indicating that the interplay between U and SOC plays an essential role. Several features of the PE and IPE spectra could not be explained by the results of LDA calculations. To explain such discrepancies, we performed configuration-interaction calculations for a RuCl63- cluster. The experimental data and calculations demonstrated that the 4d compound α-RuCl3 is a Jeff = 1/2 Mott insulator rather than a quasimolecular-orbital insulator. Our study also provides important physical parameters required for verifying the proposed Kitaev physics in α-RuCl3.

Information and Choice of A-Level Subjects: A Cluster Randomised Controlled Trial with Linked Administrative Data

ERIC Educational Resources Information Center

Davies, Peter; Davies, Neil M.; Qiu, Tian

2017-01-01

We estimated the effects of an intervention which provided information about graduate wages to 5593 students in England, using a blinded cluster randomised controlled trial in 50 schools (registration: AEARCTR-0000468). Our primary outcome was students' choice of A-level subjects at age 16. We also recorded the students' expectations of future…

New frontiers in water purification: highly stable amphopolycarboxyglycinate-stabilized Ag-AgCl nanocomposite and its newly discovered potential

NASA Astrophysics Data System (ADS)

Krutyakov, Yurii A.; Zherebin, Pavel M.; Kudrinskiy, Alexey A.; Zubavichus, Yan V.; Presniakov, Mikhail Yu; Yapryntsev, Alexey D.; Karabtseva, Anastasia V.; Mikhaylov, Dmitry M.; Lisichkin, Georgii V.

2016-09-01

A simple synthetic procedure for high-stable dispersions of porous composite Ag/AgCl nanoparticles stabilized with amphoteric surfactant sodium tallow amphopolycarboxyglycinate has been proposed for the first time. The prepared samples were characterized by UV-vis spectroscopy, x-ray powder diffraction (XRD), x-ray photoelectron spectroscopy, small area electron diffraction (SAED), scanning electron microscopy (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), and electron probe micro-analysis. In addition, measurements (carried out at the Kurchatov synchrotron radiation source stations) of the Ag K-edge extended x-ray absorption fine structure (EXAFS) and x-ray absorption near edge structure (XANES) spectra and XRD of the prepared nanoparticles have been performed. The obtained results suggest that small-sized Ag clusters are homogeneously distributed in the mass of the AgCl nanoparticle (~80 nm) formed during the synthesis. The Ag/AgCl dispersion demonstrates photocatalytic activity (with respect to methyl orange) and high bactericidal activity against E. coli. This activity is superior to the activity of both Ag and AgCl nanoparticles stabilized by the same surfactant. Thus, porous composite Ag/AgCl nanoparticles can be used as a multifunctional agent that is able to remove both pollutants and bacterium from water.

Two-Dimensional Cadmium Chloride Nanosheets in Cadmium Telluride Solar Cells

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

Perkins, Craig L.; Beall, Carolyn; Reese, Matthew O.

In this paper we make use of a liquid nitrogen-based thermomechanical cleavage technique and a surface analysis cluster tool to probe in detail the tin oxide/emitter interface at the front of completed CdTe solar cells. We show that this thermomechanical cleavage occurs within a few angstroms of the SnO 2/emitter interface. An unexpectedly high concentration of chlorine at this interface, ~20%, was determined from a calculation that assumed a uniform chlorine distribution. Angle-resolved X-ray photoelectron spectroscopy was used to further probe the structure of the chlorine-containing layer, revealing that both sides of the cleave location are covered by one-third ofmore » a unit cell of pure CdCl 2, a thickness corresponding to about one Cl-Cd-Cl molecular layer. We interpret this result in the context of CdCl 2 being a true layered material similar to transition-metal dichalcogenides. Exposing cleaved surfaces to water shows that this Cl-Cd-Cl trilayer is soluble, raising questions pertinent to cell reliability. Our work provides new and unanticipated details about the structure and chemistry of front surface interfaces and should prove important to improving materials, processes, and reliability of next-generation CdTe-based solar cells.« less

Two-Dimensional Cadmium Chloride Nanosheets in Cadmium Telluride Solar Cells

DOE PAGES

Perkins, Craig L.; Beall, Carolyn; Reese, Matthew O.; ...

2017-05-12

In this paper we make use of a liquid nitrogen-based thermomechanical cleavage technique and a surface analysis cluster tool to probe in detail the tin oxide/emitter interface at the front of completed CdTe solar cells. We show that this thermomechanical cleavage occurs within a few angstroms of the SnO 2/emitter interface. An unexpectedly high concentration of chlorine at this interface, ~20%, was determined from a calculation that assumed a uniform chlorine distribution. Angle-resolved X-ray photoelectron spectroscopy was used to further probe the structure of the chlorine-containing layer, revealing that both sides of the cleave location are covered by one-third ofmore » a unit cell of pure CdCl 2, a thickness corresponding to about one Cl-Cd-Cl molecular layer. We interpret this result in the context of CdCl 2 being a true layered material similar to transition-metal dichalcogenides. Exposing cleaved surfaces to water shows that this Cl-Cd-Cl trilayer is soluble, raising questions pertinent to cell reliability. Our work provides new and unanticipated details about the structure and chemistry of front surface interfaces and should prove important to improving materials, processes, and reliability of next-generation CdTe-based solar cells.« less

Factors associated to clinical learning in nursing students in primary health care: an analytical cross-sectional study.

PubMed

Serrano-Gallardo, Pilar; Martínez-Marcos, Mercedes; Espejo-Matorrales, Flora; Arakawa, Tiemi; Magnabosco, Gabriela Tavares; Pinto, Ione Carvalho

2016-09-09

to identify the students' perception about the quality of clinical placements and asses the influence of the different tutoring processes in clinical learning. analytical cross-sectional study on second and third year nursing students (n=122) about clinical learning in primary health care. The Clinical Placement Evaluation Tool and a synthetic index of attitudes and skills were computed to give scores to the clinical learning (scale 0-10). Univariate, bivariate and multivariate (multiple linear regression) analyses were performed. the response rate was 91.8%. The most commonly identified tutoring process was "preceptor-professor" (45.2%). The clinical placement was assessed as "optimal" by 55.1%, relationship with team-preceptor was considered good by 80.4% of the cases and the average grade for clinical learning was 7.89. The multiple linear regression model with more explanatory capacity included the variables "Academic year" (beta coefficient = 1.042 for third-year students), "Primary Health Care Area (PHC)" (beta coefficient = 0.308 for Area B) and "Clinical placement perception" (beta coefficient = - 0.204 for a suboptimal perception). timeframe within the academic program, location and clinical placement perception were associated with students' clinical learning. Students' perceptions of setting quality were positive and a good team-preceptor relationship is a matter of relevance. identificar a percepção dos estudantes de enfermagem sobre a qualidade das Práticas Clínicas em Atenção Primária à Saúde e avaliar a influência dos diferentes processos de tutoria na aprendizagem clínica. um estudo analítico transversal realizado com alunos do segundo e do terceiro ano de enfermagem (n = 122) na aprendizagem clínica nos serviços de Atenção Primária à Saúde. A Ferramenta de Avaliação de Práticas Clínicas (Clinical Placement Evaluation Tool) e um índice sintético de atitudes e habilidades (escala de 0 a 10) foram calculados para marcar a aprendizagem clínica. Foram realizadas análises univariadas, bivariadas e multivariadas (regressão linear múltipla). a taxa de resposta foi de 91,8%. O processo de tutoria mais indicado foi o de "preceptor-professor" (45,2%). As Práticas Clínicas foram avaliadas como "ótimas" por 55,1%, o relacionamento com a equipe-preceptor foi considerado bom por 80,4% dos casos e a classificação média para a aprendizagem clínica foi de 7,89. O modelo de regressão linear múltipla, com mais capacidade explicativa incluiu as variáveis "ano acadêmico" (coeficiente de beta = 1.042 para alunos do terceiro ano), "área de cuidados de saúde primários" (coeficiente de beta = 0,308 para a Área B) e "percepção de práticas clínicas" (beta coeficiente = - 0,204 para uma percepção menos que ótima). O momento dentro do programa acadêmico, a localização e percepção das Práticas Clínicas foram associados com a aprendizagem clínica dos alunos. A percepção dos alunos sobre a qualidade do lugar das Práticas Clínicas foi positiva e um bom relacionamento da equipe-preceptor é uma questão de relevância. identificar la percepción del alumnado de enfermería sobre la calidad de las Prácticas Clínicas y evaluar la influencia de los diferentes procesos de tutoría en el aprendizaje clínico. estudio analítico transversal realizado con estudiantes de segundo y tercer año de enfermería (n = 122) en el aprendizaje clínico en los servicios de atención primaria de salud. La Herramienta de Evaluación de Prácticas Clínicas (Clinical Placement Evaluation Tool) y un índice sintético de las actitudes y habilidades (escala de 0 a 10) se calcularon para puntuar el aprendizaje clínico. Se realizaron análisis univariados, bivariados, multivariados (regresión lineal múltiple). la tasa de respuesta fue del 91,8%. El proceso de tutoría más comúnmente identificado fue "preceptor-profesor" (45,2%). Las Prácticas Clínicas se evaluaron como "óptimas" en un 55,1%, la relación equipo-preceptor fue considerada buena por el 80,4% de los casos y la calificación media para el aprendizaje clínico fue de 7.89. El modelo de regresión lineal múltiple con mayor capacidad explicativa incluyó las variables "año académico" (coeficiente beta = 1.042 para los estudiantes de tercer año), "Área de Atención Primaria de la Salud" (coeficiente beta = 0,308 para el Área B) y la "percepción de las Prácticas Clínicas" (coeficiente beta = - 0,204 para una percepción subóptima). el momento dentro del programa académico, la ubicación y la percepción de las Prácticas Clínicac se asociaron con el aprendizaje clínico de los estudiantes. La percepción de los estudiantes de la calidad del lugar de las Prácticas Clínicas fue positiva y la buena relación equipo-preceptor es una cuestión de relevancia.

Theoretical evidence of charge transfer interaction between SO₂ and deep eutectic solvents formed by choline chloride and glycerol.

PubMed

Li, Hongping; Chang, Yonghui; Zhu, Wenshuai; Wang, Changwei; Wang, Chao; Yin, Sheng; Zhang, Ming; Li, Huaming

2015-11-21

The nature of the interaction between deep eutectic solvents (DESs), formed by ChCl and glycerol, and SO2 has been systematically investigated using the M06-2X density functional combined with cluster models. Block-localized wave function energy decomposition (BLW-ED) analysis shows that the interaction between SO2 and DESs is dominated by a charge transfer interaction. After this interaction, the SO2 molecule becomes negatively charged, whereas the ChCl-glycerol molecule is positively charged, which is the result of Lewis acid-base interaction. The current result affords a theoretical proof that it is highly useful and efficient to manipulate the Lewis acidity of absorbents for SO2 capture. Moreover, hydrogen bonding as well as electrostatic interactions may also contribute to the stability of the complex. Structure analysis shows that solvent molecules will adjust their geometries to interact with SO2. In addition, the structure of SO2 is barely changed after interaction. The interaction energy between different cluster models and SO2 ranges from -6.8 to -14.4 kcal mol(-1). It is found that the interaction energy is very sensitive to the solvent structure. The moderate interaction between ChCl-glycerol and SO2 is consistent with the concept that highly efficient solvents for SO2 absorption should not only be solvable but also regenerable.

Effects of catalase on chloroplast arrangement in Opuntia streptacantha chlorenchyma cells under salt stress.

PubMed

Arias-Moreno, Diana Marcela; Jiménez-Bremont, Juan Francisco; Maruri-López, Israel; Delgado-Sánchez, Pablo

2017-08-17

In arid and semiarid regions, low precipitation rates lead to soil salinity problems, which may limit plant establishment, growth, and survival. Herein, we investigated the NaCl stress effect on chlorophyll fluorescence, photosynthetic-pigments, movement and chloroplasts ultrastructure in chlorenchyma cells of Opuntia streptacantha cladodes. Cladodes segments were exposed to salt stress at 0, 100, 200, and 300 mM NaCl for 8, 16, and 24 h. The results showed that salt stress reduced chlorophyll content, F v /F m , ΦPSII, and qP values. Under the highest salt stress treatments, the chloroplasts were densely clumped toward the cell center and thylakoid membranes were notably affected. We analyzed the effect of exogenous catalase in salt-stressed cladode segments during 8, 16, and 24 h. The catalase application to salt-stressed cladodes counteracted the NaCl adverse effects, increasing the chlorophyll fluorescence parameters, photosynthetic-pigments, and avoided chloroplast clustering. Our results indicate that salt stress triggered the chloroplast clumping and affected the photosynthesis in O. streptacantha chlorenchyma cells. The exogenous catalase reverted the H 2 O 2 accumulation and clustering of chloroplast, which led to an improvement of the photosynthetic efficiency. These data suggest that H 2 O 2 detoxification by catalase is important to protect the chloroplast, thus conserving the photosynthetic activity in O. streptacantha under stress.

Mass and Dynamical Structures of the Lensing Clusters CL0024+17 and CL2244+02

NASA Technical Reports Server (NTRS)

Forman, William; Mushotzky, Richard (Technical Monitor)

2004-01-01

We present a detailed gravitational mass measurement based on the XMM-Newton imaging spectroscopy analysis of the lensing cluster of galaxies CL0024+17 at $z = 0.395$. The emission appears approximately symmetric. However, on the scale of $r\\sim3.3'$, some indication of elongation is visible in the northwest-southeast direction from the hardness ratio map. Within $3'$, we measure a global gas temperature of $3.52\\pm0.17$ keV, metallicity of $0.22\\pm0.07$, and a bolometric luminosity of $2.9\\pm0. l\\times10(exp 44)$ erg/s. We derive a temperature distribution with an isothermal temperature of 3.9 keV up to a radius of $1.5'$ and a strong temperature gradient in the outskirts ($1.3' less than r less than 3.3'$). Under the assumption of hydrostatic equilibrium, we measure the gravitational mass and gas mass fraction to be $M-{200} = 2.0\\pm0.3\\times 10(exp 14)$ solar masses and $f-{gas} = 0.20\\pm0.03$ at $r-{200} = 1.05$ Mpc (all for a Hubble constant of 70 km/sec/Mpc) using the observed gas temperature profile. The complex core structure is the key to explaining the discrepancy between the gravitational mass determined from the XMM-Newton observations and HST optical lensing measurements.

Strategies for High-Resolution 3-D Millimeter Wave Imaging.

DTIC Science & Technology

1987-02-01

Co-Investigator K.S. Lee - Graduate Student (50%) P. Frangos - Graduate Student (50%) Y. Shen - Graduate Student (50%) K. Schultz - Graduate...period of this report: * P. Frangos (Ph.D.) - "One-Dinensionl Inverse Scattering: Exact Methods and Applications", * C.L. Werner (Ph.D.) - ŗ-D

Polarizabilities and hyperpolarizabilities for the atoms Al, Si, P, S, Cl, and Ar: Coupled cluster calculations.

PubMed

Lupinetti, Concetta; Thakkar, Ajit J

2005-01-22

Accurate static dipole polarizabilities and hyperpolarizabilities are calculated for the ground states of the Al, Si, P, S, Cl, and Ar atoms. The finite-field computations use energies obtained with various ab initio methods including Moller-Plesset perturbation theory and the coupled cluster approach. Excellent agreement with experiment is found for argon. The experimental alpha for Al is likely to be in error. Only limited comparisons are possible for the other atoms because hyperpolarizabilities have not been reported previously for most of these atoms. Our recommended values of the mean dipole polarizability (in the order Al-Ar) are alpha/e(2)a(0) (2)E(h) (-1)=57.74, 37.17, 24.93, 19.37, 14.57, and 11.085 with an error estimate of +/-0.5%. The recommended values of the mean second dipole hyperpolarizability (in the order Al-Ar) are gamma/e(4)a(0) (4)E(h) (-3)=2.02 x 10(5), 4.31 x 10(4), 1.14 x 10(4), 6.51 x 10(3), 2.73 x 10(3), and 1.18 x 10(3) with an error estimate of +/-2%. Our recommended polarizability anisotropy values are Deltaalpha/e(2)a(0) (2)E(h) (-1)=-25.60, 8.41, -3.63, and 1.71 for Al, Si, S, and Cl respectively, with an error estimate of +/-1%. The recommended hyperpolarizability anisotropies are Deltagamma/e(4)a(0) (4)E(h) (-3)=-3.88 x 10(5), 4.16 x 10(4), -7.00 x 10(3), and 1.65 x 10(3) for Al, Si, S, and Cl, respectively, with an error estimate of +/-4%. (c) 2005 American Institute of Physics.

Gene expression profiling in rat kidney after intratracheal exposure to cadmium-doped nanoparticles

NASA Astrophysics Data System (ADS)

Coccini, Teresa; Roda, Elisa; Fabbri, Marco; Sacco, Maria Grazia; Gribaldo, Laura; Manzo, Luigi

2012-08-01

While nephrotoxicity of cadmium is well documented, very limited information exists on renal effects of exposure to cadmium-containing nanomaterials. In this work, "omics" methodologies have been used to assess the action of cadmium-containing silica nanoparticles (Cd-SiNPs) in the kidney of Sprague-Dawley rats exposed intratracheally. Groups of animals received a single dose of Cd-SiNPs (1 mg/rat), CdCl2 (400 μg/rat) or 0.1 ml saline (control). Renal gene expression was evaluated 7 and 30 days post exposure by DNA microarray technology using the Agilent Whole Rat Genome Microarray 4x44K. Gene modulating effects were observed in kidney at both time periods after treatment with Cd-SiNPs. The number of differentially expressed genes being 139 and 153 at the post exposure days 7 and 30, respectively. Renal gene expression changes were also observed in the kidney of CdCl2-treated rats with a total of 253 and 70 probes modulated at 7 and 30 days, respectively. Analysis of renal gene expression profiles at day 7 indicated in both Cd-SiNP and CdCl2 groups downregulation of several cluster genes linked to immune function, oxidative stress, and inflammation processes. Differing from day 7, the majority of cluster gene categories modified by nanoparticles in kidney 30 days after dosing were genes implicated in cell regulation and apoptosis. Modest renal gene expression changes were observed at day 30 in rats treated with CdCl2. These results indicate that kidney may be a susceptible target for subtle long-lasting molecular alterations produced by cadmium nanoparticles locally instilled in the lung.

Identification of novel inhibitors of the SARS coronavirus main protease 3CLpro.

PubMed

Bacha, Usman; Barrila, Jennifer; Velazquez-Campoy, Adrian; Leavitt, Stephanie A; Freire, Ernesto

2004-05-04

SARS (severe acute respiratory syndrome) is caused by a newly discovered coronavirus. A key enzyme for the maturation of this virus and, therefore, a target for drug development is the main protease 3CL(pro) (also termed SARS-CoV 3CL(pro)). We have cloned and expressed in Escherichia coli the full-length SARS-CoV 3CL(pro) as well as a truncated form containing only the catalytic domains. The recombinant proteins have been characterized enzymatically using a fluorescently labeled substrate; their structural stability in solution has been determined by differential scanning calorimetry, and novel inhibitors have been discovered. Expression of the catalytic region alone yields a protein with a reduced catalytic efficiency consistent with the proposed regulatory role of the alpha-helical domain. Differential scanning calorimetry indicates that the alpha-helical domain does not contribute to the structural stability of the catalytic domains. Analysis of the active site cavity reveals the presence of subsites that can be targeted with specific chemical functionalities. In particular, a cluster of serine residues (Ser139, Ser144, and Ser147) was identified near the active site cavity and was susceptible to being targeted by compounds containing boronic acid. This cluster is highly conserved in similar proteases from other coronaviruses, defining an attractive target for drug development. It was found that bifunctional aryl boronic acid compounds were particularly effective at inhibiting the protease, with inhibition constants as strong as 40 nM. Isothermal titration microcalorimetric experiments indicate that these inhibitors bind reversibly to 3CL(pro) in an enthalpically favorable fashion, implying that they establish strong interactions with the protease molecule, thus defining attractive molecular scaffolds for further optimization.

Dealing with Dependence (Part II): A Gentle Introduction to Hierarchical Linear Modeling

ERIC Educational Resources Information Center

McCoach, D. Betsy

2010-01-01

In education, most naturally occurring data are clustered within contexts. Students are clustered within classrooms, classrooms are clustered within schools, and schools are clustered within districts. When people are clustered within naturally occurring organizational units such as schools, classrooms, or districts, the responses of people from…

A large-scale structure traced by [O II] emitters hosting a distant cluster at z= 1.62

NASA Astrophysics Data System (ADS)

Tadaki, Ken-ichi; Kodama, Tadayuki; Ota, Kazuaki; Hayashi, Masao; Koyama, Yusei; Papovich, Casey; Brodwin, Mark; Tanaka, Masayuki; Iye, Masanori

2012-07-01

We present a panoramic narrow-band imaging survey of [O II] emitters in and around the ClG J0218.3-0510 cluster at z= 1.62 with Suprime-Cam on Subaru Telescope. 352 [O II] emitters were identified on the basis of narrow-band excesses and photometric redshifts. We discovered a huge filamentary structure with some clumps traced by [O II] emitters and found that the ClG J0218.3-0510 cluster is embedded in an even larger superstructure than the one reported previously. 31 [O II] emitters were spectroscopically confirmed with the detection of Hα and/or [O III] emission lines by Fibre Multi Object Spectrograph observations. In the high-density regions such as cluster core and clumps, star-forming [O II] emitters show a high overdensity by a factor of more than 10 compared to the field region. Interestingly, the relative fraction of [O II] emitters in photo-z selected sample does not depend significantly on the local density. Although the star formation activity is very high even in the cluster core, some massive quiescent galaxies also exist at the same time. Furthermore, the properties of the individual [O II] emitters, such as star formation rates (SFRs), stellar masses and specific SFRs, do not show a significant dependence on the local density, either. Such a lack of environmental dependence is consistent with our earlier result by Hayashi et al. on a z= 1.5 cluster and its surrounding region. The fact that the star-forming activity of galaxies in the cluster core is as high as that in the field at z˜ 1.6 may suggest that the star-forming galaxies are probably just in a transition phase from a starburst mode to a quiescent mode, and are thus showing comparable level of star formation rates to those in lower density environments. We may be witnessing the start of the reversal of the local SFR-density relation due to the 'biased' galaxy formation and evolution in high-density regions at this high redshift, beyond which massive galaxies would be forming vigorously in a more biased way in protocluster cores.

A Career Guidance Curriculum for Ninth Grade Students. Occupational Cluster Learning Activities. Business-Environmental. Part 1 of 2. Ninth Grade Guidance Project. Project Duration: July 16, 1979, to June 30, 1980.

ERIC Educational Resources Information Center

Cape May County Vocational Schools, NJ.

This first of two parts presents learning activities for four occupational clusters of a ninth-grade cluster program. It contains theory and hands-on activities that explore the occupational requirements and working environment of these areas to help students make intelligent decisions of possible career choices based on levels of interest and…

Spatial patterns and secular trends in human leishmaniasis incidence in Morocco between 2003 and 2013.

PubMed

Sadeq, Mina

2016-05-11

Few studies on spatial patterns or secular trends in human leishmanias have been conducted in Morocco. This study aimed to examine spatial patterns and trends associated with the human leishmaniasis incidence rate (HLIR) at the province/prefecture level between 2003 and 2013 in Morocco. Only the available published country data on the HLIR between 2003 and 2013, from the open access files of the Ministry of Health, were used. Secular trends were examined using Kendall's rank correlation. An exploratory spatial data analysis was also conducted to examine the spatial autocorrelation (Global Moran's I and local indicator of spatial association [LISA]), and spatial diffusion at the province/prefecture level. The influence of various covariates (poverty rate, vulnerability rate, population density, and urbanization) on the HLIR was tested via spatial regression (ordinary least squares regression). At the country level, no secular variation was observed. Poisson annual incidence rate estimates were 13 per 100 000 population (95 % CI = 12.9-13.1) for cutaneous leishmaniasis (CL) and 0.4 per 100 000 population (95 % CI = 0.4-0.5) for visceral leishmaniasis (VL). The available data on HLIR were based on combined CL and VL cases, however, as the CL cases totally outnumbered the VL ones, HLIR may be considered as CL incidence rate. At the provincial level, a secular increase in the incidence rate was observed in Al Hoceima (P = 0.008), Taounate (P = 0.04), Larache (P = 0.002), Tétouan (P = 0.0003), Khenifra (P = 0.008), Meknes (P = 0.03), and El Kelaa (P = 0.0007), whereas a secular decrease was observed only in the Chichaoua province (P = 0.006). Even though increased or decreased rate was evident in these provinces, none of them showed clustering of leishmaniasis incidence. Significant spatial clusters of high leishmaniasis incidence were located in the northeastern part of Morocco, while spatial clusters of low leishmaniasis incidence were seen in some northwestern and southern parts of Morocco; there was spatial randomness in the remaining parts of the country. Significant clustering was seen from 2005 to 2013, during which time the Errachidia province was a permanent 'hot spot'. Global Moran's I increased from 0.2844 (P = 0.006) in 2005 to 0.5886 (P = 0.001) in 2011, and decreased to 0.2491 (P = 0.004) in 2013. It was found that only poverty had an effect on the HLIR (P = 0.0003), contributing only 23 % to this (Adjusted R-squared = 0.226). Localities showing either secular increase in human leishmaniasis or significant clustering have been identified, which may guide decision-making as to where to appropriately allocate funding and implement control measures. Researchers are also urged to undertake further studies focusing on these localities.

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

NASA Astrophysics Data System (ADS)

Hee, Allan George

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

Two Ti13-oxo-clusters showing non-compact structures, film electrode preparation and photocurrent properties.

PubMed

Hou, Jin-Le; Luo, Wen; Wu, Yin-Yin; Su, Hu-Chao; Zhang, Guang-Lin; Zhu, Qin-Yu; Dai, Jie

2015-12-14

Two benzene dicarboxylate (BDC) and salicylate (SAL) substituted titanium-oxo-clusters, Ti13O10(o-BDC)4(SAL)4(O(i)Pr)16 (1) and Ti13O10(o-BDC)4(SAL-Cl)4(O(i)Pr)16 (2), are prepared by one step in situ solvothermal synthesis. Single crystal analysis shows that the two Ti13 clusters take a paddle arrangement with an S4 symmetry. The non-compact (non-sphere) structure is stabilized by the coordination of BDC and SAL. Film photoelectrodes are prepared by the wet coating process using the solution of the clusters and the photocurrent response properties of the electrodes are studied. It is found that the photocurrent density and photoresponsiveness of the electrodes are related to the number of coating layers and the annealing temperature. Using ligand coordinated titanium-oxo-clusters as the molecular precursors of TiO2 anatase films is found to be effective due to their high solubility, appropriate stability in solution and hence the easy controllability.

Conformers of CL-20 explosive and ab initio refinement using perturbation theory: implications to detonation mechanisms.

PubMed

Molt, Robert W; Bartlett, Rodney J; Watson, Thomas; Bazanté, Alexandre P

2012-12-13

We have identified the major conformers of CL-20 explosive, otherwise known as 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane, more formally known as 2,4,6,8,10,12-hexanitrohexaazatetracyclo[5.5.0.0]-dodecane, via Monte Carlo search in conformational space through molecular mechanics and subsequent quantum mechanical refinement using perturbation theory. Our search produced enough conformers to account for all of the various forms of CL-20 found in crystals. This suggests that our methodology will be useful in studying the conformational landscape of other nitramines. The energy levels of the conformers found are all within 0.25 eV of one another based on MBPT(2)/6-311G(d,p); consequently, without further refinement from a method such as coupled cluster theory, all conformers may reasonably be populated at STP in the gas phase. We also report the harmonic vibrational frequencies of conformers, including the implications on the mechanism of detonation. In particular, we establish that the weakest N-N nitramine of CL-20 is the cyclohexane equatorial nitramine. This preliminary mapping of the conformers of CL-20 makes it possible to study the mechanism of detonation of this explosive rigorously in future work.

Solvation and aggregation of n,n'-dialkylimidazolium ionic liquids: a multinuclear NMR spectroscopy and molecular dynamics simulation study.

PubMed

Remsing, Richard C; Liu, Zhiwei; Sergeyev, Ivan; Moyna, Guillermo

2008-06-26

The solvation and aggregation of the ionic liquid (IL) 1-n-butyl-3-methylimidazolium chloride ([C4mim]Cl) in water and dimethylsulfoxide (DMSO) were examined by analysis of (1)H and (35/37)Cl chemical shift perturbations and molecular dynamics (MD) simulations. Evidence of aggregation of the IL n-butyl chains in aqueous environments at IL concentrations of 75-80 wt% was observed both in the NMR experiments and in the MD simulations. The studies also show that [C4mim]Cl behaves as a typical electrolyte in water, with both ions completely solvated at low concentrations. On the other hand, the data reveal that the interactions between the [C4mim](+) and Cl(-) ions strengthen as the DMSO content of the solutions increases, and IL-rich clusters persist in this solvent even at concentrations below 10 wt%. These results provide an experimentally supported atomistic explanation of the effects that these two solvents have on some of the macroscopic properties of [C4mim]Cl. The implications that these findings could have on the design of IL-based solvent systems are briefly discussed.

Clustered for Success

ERIC Educational Resources Information Center

Brulles, Dina; Winebrenner, Susan

2012-01-01

Schools need to address the needs of their students with high ability. Not only does this raise achievement levels schoolwide, it also attracts students from surrounding districts and recaptures advanced learners who left the school because their needs weren't being met. One practical intervention--cluster grouping--provides an inclusive…

Speaking of Tomatoes.

ERIC Educational Resources Information Center

Lee, Sherry

1983-01-01

High school students at the Texas School for the Deaf can participate in a horticulture class featuring both theoretical and practical knowledge of hydroponics. The course allows students to learn life cycle concepts while engaging in a new technology. (CL)

A Discussion of Assessment Needs in Manual Communication for Pre-College Students.

ERIC Educational Resources Information Center

Cokely, Dennis R.

The paper reviews issues in evaluating the manual communications skills of pre-college hearing impaired students, including testing of visual discrimination and visual memory, simultaneous communication, and attention span. (CL)

Students' approaches to learning in clinical interprofessional context.

PubMed

Hylin, Uffe; Lonka, Kirsti; Ponzer, Sari

2011-01-01

Health care professionals are supposed to work in teams. Students in health care need to learn how to collaborate during their undergraduate education. Interprofessional learning environments, where collaboration is necessary, may be differently accepted by students depending on their approach to learning. We investigated health care students' evaluations of interprofessional clinical training in relation to their study orientations. The participants were 369 students (40 occupational therapy-, 85 medical-, 52 physiotherapy-, and 192 nursing students) attending an IPE course at a Swedish University Hospital. Data were collected by questionnaires measuring orientations to studying and attitudes towards the clinical training and the IPE concept before and after the training. The response rate was 77 %. Study groups were formed by a cluster analysis on the basis of the students' learning orientations. Three clusters were found: Low collaboration-, Collaborative Constructivist-, and Cookbook groups. These clusters were related to different professions and how students perceived their interprofessional learning environment. Study orientations appear to play a role in the way students evaluate interprofessional training. This should be taken into account in instruction. Students with a 'Cookbook' approach to learning showed an increased understanding of interprofessional collaboration after the course.

Using Pets as "Therapists" for Children with Developmental Disabilities.

ERIC Educational Resources Information Center

Polt, James M.; Hale, Carla

1985-01-01

A center for retarded students provided students contacts with animals on a regular basis to help students overcome their fear, increase self-confidence and self-esteem, develop nurturing skills, and learn cooperation. Case studies of six children who showed special benefits from the program are included. (CL)

Facile Syntheses of Monodisperse Ultra-Small Au Clusters

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

Bertino, Massimo F.; Sun, Zhong-Ming; Zhang, Rui

2006-11-02

During our effort to synthesize the tetrahedral Au20 cluster, we found a facile synthetic route to prepare monodisperse suspensions of ultra-small Au clusters AuN (N<12) using diphosphine ligands. In our monophasic and single-pot synthesis, a Au precursor ClAu(I)PPh3 and a bidentate phosphine ligand P(Ph)2(CH2)MP(Ph)2 (Ph = phenyl) are dissolved in an organic solvent. Au(I) is reduced slowly by a borane-tert-butylamine complex to form Au clusters coordinated by the diphosphine ligand. The Au clusters are characterized by both high resolution mass spectrometry and UV-Vis absorption spectroscopy. We found that the mean cluster size obtained depends on the chain length M ofmore » the ligand. In particular, a single monodispersed Au11 cluster is obtained with the P(Ph)2(CH2)3P(Ph)2 ligand, whereas P(Ph)2(CH2)MP(Ph)2 ligands with M = 5 and 6 yield Au10 and Au8 clusters. The simplicity of our synthetic method makes it suitable for large-scale production of nearly monodisperse ultrasmall Au clusters. It is suggested that diphosphines provide a set of flexible ligands to allow size-controlled synthesis of Au nanoparticles.« less

Active galactic nuclei. IV - Supplying black hole clusters by tidal disruption and by tidal capture of stars

NASA Technical Reports Server (NTRS)

Stoeger, W. R.; Pacholczyk, A. G.; Stepinski, T. F.

1992-01-01

The extent to which individual holes in a cluster of black holes with a mass spectrum can liberate and accrete the resulting material by tidally disrupting stars they encounter, or by capturing stars as binary companions is studied. It is found that the smaller black holes in 'the halo' of such clusters can adequately supply themselves to the level M-dot sub h or greater than 0.0001(M-dot sub h) sub crit, and up to 0.05(M-dot sub h)sub crit for the smallest holes, by tidal disruption, as long as the cluster is embedded in a distribution of stars of relatively high density (not less than 0.1M sub cl/cu pc), and as long as the entire cluster of stars is not too compact (not less than 0.5 pc). Consideration is given to modifications this 'internal' mode of supply introduces in the spectrum emitted by such black hole clusters, and to the current status of their viability as models for AGN and QSOs in light of dynamical studies by Quinlan and Shapiro (1987, 1989).

The Effect of Cooperative Learning: University Example

ERIC Educational Resources Information Center

Tombak, Busra; Altun, Sertel

2016-01-01

Problem Statement: Motivation is a significant component of success in education, and it is best achieved by constructivist learning methods, especially cooperative Learning (CL). CL is a popular method among primary and secondary schools, but it is rarely used in higher education due to the large numbers of students and time restrictions. The…

Students' Responses to CL-Based Teaching of English Prepositions

ERIC Educational Resources Information Center

Hung, Bui Phu; Truong, Vien; Nguyen, Ngoc Vu

2018-01-01

Purpose: Most EFL textbooks suggest the use of vivid pictures and verbal explanations in teaching English prepositions. However, this word class appears in collocations, and rote-learning does not really help learners retain and use this word class successfully. Cognitive linguistics (CL) has implications for English language teaching as it rests…

Self-Regulation, Cooperative Learning, and Academic Self-Efficacy: Interactions to Prevent School Failure

PubMed Central

Fernandez-Rio, Javier; Cecchini, Jose A.; Méndez-Gimenez, Antonio; Mendez-Alonso, David; Prieto, Jose A.

2017-01-01

Learning to learn and learning to cooperate are two important goals for individuals. Moreover, self regulation has been identified as fundamental to prevent school failure. The goal of the present study was to assess the interactions between self-regulated learning, cooperative learning and academic self-efficacy in secondary education students experiencing cooperative learning as the main pedagogical approach for at least one school year. 2.513 secondary education students (1.308 males, 1.205 females), 12–17 years old (M = 13.85, SD = 1.29), enrolled in 17 different schools belonging to the National Network of Schools on Cooperative Learning in Spain agreed to participate. They all had experienced this pedagogical approach a minimum of one school year. Participants were asked to complete the cooperative learning questionnaire, the strategies to control the study questionnaire and the global academic self-efficacy questionnaire. Participants were grouped based on their perceptions on cooperative learning and self-regulated learning in their classes. A combination of hierarchical and κ-means cluster analyses was used. Results revealed a four-cluster solution: cluster one included students with low levels of cooperative learning, self-regulated learning and academic self-efficacy, cluster two included students with high levels of cooperative learning, self-regulated learning and academic self-efficacy, cluster three included students with high levels of cooperative learning, low levels of self-regulated learning and intermediate-low levels of academic self-efficacy, and, finally, cluster four included students with high levels of self-regulated learning, low levels of cooperative learning, and intermediate-high levels of academic self-efficacy. Self-regulated learning was found more influential than cooperative learning on students’ academic self-efficacy. In cooperative learning contexts students interact through different types of regulations: self, co, and shared. Educators should be aware of these interactions, symmetrical or asymmetrical, because they determine the quality and quantity of the students’ participation and achievements, and they are key elements to prevent school failure. PMID:28154544

Teacher student relationship quality type in elementary grades: Effects on trajectories for achievement and engagement

PubMed Central

Wu, Jiun-yu; Hughes, Jan N.; Kwok, Oi-man

2010-01-01

Teacher, peer, and student reports of the quality of the teacher-student relationship were obtained for an ethnically diverse and academically at-risk sample of 706 second and third grade students. Cluster analysis identified four types of relationships based on the consistency of child reports of support and conflict in the relationship with reports of others: Congruent positive, Congruent Negative, Incongruent Child Negative and Incongruent Child Positive. The cluster solution evidenced good internal consistency and construct validity. Cluster membership predicted growth trajectories for teacher-rated engagement and standardized achievement scores over the following three years, above prior performance. The predictive associations between child reports of teacher support and conflict and outcomes depended on whether child reports were consistent or inconsistent with reports of others. Study findings have implications for theory development, assessment of teacher-student relationships, and teacher professional development. PMID:20728688

Psychosocial Costs of Racism to Whites: Exploring Patterns through Cluster Analysis

ERIC Educational Resources Information Center

Spanierman, Lisa B.; Poteat, V. Paul; Beer, Amanda M.; Armstrong, Patrick Ian

2006-01-01

Participants (230 White college students) completed the Psychosocial Costs of Racism to Whites (PCRW) Scale. Using cluster analysis, we identified 5 distinct cluster groups on the basis of PCRW subscale scores: the unempathic and unaware cluster contained the lowest empathy scores; the insensitive and afraid cluster consisted of low empathy and…

Using Self-Organizing Neural Network Map Combined with Ward's Clustering Algorithm for Visualization of Students' Cognitive Structural Models about Aliveness Concept

PubMed Central

Ugulu, Ilker; Aydin, Halil

2016-01-01

We propose an approach to clustering and visualization of students' cognitive structural models. We use the self-organizing map (SOM) combined with Ward's clustering to conduct cluster analysis. In the study carried out on 100 subjects, a conceptual understanding test consisting of open-ended questions was used as a data collection tool. The results of analyses indicated that students constructed the aliveness concept by associating it predominantly with human. Motion appeared as the most frequently associated term with the aliveness concept. The results suggest that the aliveness concept has been constructed using anthropocentric and animistic cognitive structures. In the next step, we used the data obtained from the conceptual understanding test for training the SOM. Consequently, we propose a visualization method about cognitive structure of the aliveness concept. PMID:26819579

A Career Guidance Curriculum for Ninth Grade Students. Occupational Cluster Learning Activities. Health-Technical. Part 2 of 2. Ninth Grade Career Guidance Project. Project Duration: July 16, 1979, to June 30, 1980.

ERIC Educational Resources Information Center

Cape May County Vocational Schools, NJ.

This second of two parts presents learning activities for four occupational clusters of a ninth-grade cluster program. It contains theory and hands-on activities that explore the occupational requirements and working environment of these areas to help students make intelligent decisions of possible career choices based on levels of interest and…

Implementation of K-Means Clustering Method for Electronic Learning Model

NASA Astrophysics Data System (ADS)

Latipa Sari, Herlina; Suranti Mrs., Dewi; Natalia Zulita, Leni

2017-12-01

Teaching and Learning process at SMK Negeri 2 Bengkulu Tengah has applied e-learning system for teachers and students. The e-learning was based on the classification of normative, productive, and adaptive subjects. SMK Negeri 2 Bengkulu Tengah consisted of 394 students and 60 teachers with 16 subjects. The record of e-learning database was used in this research to observe students’ activity pattern in attending class. K-Means algorithm in this research was used to classify students’ learning activities using e-learning, so that it was obtained cluster of students’ activity and improvement of student’s ability. Implementation of K-Means Clustering method for electronic learning model at SMK Negeri 2 Bengkulu Tengah was conducted by observing 10 students’ activities, namely participation of students in the classroom, submit assignment, view assignment, add discussion, view discussion, add comment, download course materials, view article, view test, and submit test. In the e-learning model, the testing was conducted toward 10 students that yielded 2 clusters of membership data (C1 and C2). Cluster 1: with membership percentage of 70% and it consisted of 6 members, namely 1112438 Anggi Julian, 1112439 Anis Maulita, 1112441 Ardi Febriansyah, 1112452 Berlian Sinurat, 1112460 Dewi Anugrah Anwar and 1112467 Eka Tri Oktavia Sari. Cluster 2:with membership percentage of 30% and it consisted of 4 members, namely 1112463 Dosita Afriyani, 1112471 Erda Novita, 1112474 Eskardi and 1112477 Fachrur Rozi.

Screening for Physical Problems in Classrooms for Severely Handicapped Students.

ERIC Educational Resources Information Center

Dever, Richard; Knapczyk, Dennis

1980-01-01

The authors present a screening device with which teachers of severely handicapped students may detect the presence of a physical problem. The screening approach covers vision, auditory problems, seizures, orthopedic problems, and pain. (CL)

Graphics Software Packages as Instructional Tools.

ERIC Educational Resources Information Center

Chiavaroli, Julius J.; Till, Ronald J.

1985-01-01

Graphics software can assist hearing-impaired students in visualizing and comparing ideas and can also demonstrate spatial relations and encourage creativity. Teachers and students can create and present data, diagrams, drawings, or charts quickly and accurately. (Author/CL)

The Role of Attention in Reading with Implications for the Learning Disabled Student.

ERIC Educational Resources Information Center

Samuels, S. Jay; Edwall, Glenace

1981-01-01

The article reviews issues regarding the role of attention in reading problems manifested by learning disabled students. Characteristics of attention (including arousal, alertness, vigilance, selective attention, and capacity) are considered. (CL)

NMR shielding and spin–rotation constants of {sup 175}LuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I) molecules

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

Demissie, Taye B.

2015-12-31

This presentation demonstrates the relativistic effects on the spin-rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants and shielding spans of {sup 175}LuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I) molecules. The results are obtained from calculations performed using density functional theory (non-relativistic and four-component relativistic) and coupled-cluster calculations. The spin-rotation constants are compared with available experimental values. In most of the molecules studied, relativistic effects make an order of magnitude difference on the NMR absolute shielding constants.

Morphology classification of galaxies in CL 0939+4713 using a ground-based telescope image

NASA Technical Reports Server (NTRS)

Fukugita, M.; Doi, M.; Dressler, A.; Gunn, J. E.

1995-01-01

Morphological classification is studied for galaxies in cluster CL 0939+4712 at z = 0.407 using simple photometric parameters obtained from a ground-based telescope image with seeing of 1-2 arcseconds full width at half maximim (FWHM). By ploting the galaxies in a plane of the concentration parameter versus mean surface brightness, we find a good correlation between the location on the plane and galaxy colors, which are known to correlate with morphological types from a recent Hubble Space Telescope (HST) study. Using the present method, we expect a success rate of classification into early and late types of about 70% or possibly more.

Impact of a personal learning plan supported by an induction meeting on academic performance in undergraduate Obstetrics and Gynaecology: a cluster randomised controlled trial.

PubMed

Deane, Richard P; Murphy, Deirdre J

2015-03-11

A personal learning plan (PLP) is an approach to assist medical students maximise their learning experience within clinical rotations. The aim of this study was to investigate whether medical students who created a PLP supported by an induction meeting had an improved academic performance within an undergraduate clinical rotation. A cluster randomised controlled study was conducted over a full academic year (2012/13). The intervention was the creation of a PLP by medical students supported by an individual 'one-to-one' induction meeting between each student and a faculty member. Randomisation was by unit of rotation in which students completed the program. There were 2 clusters in the intervention group (n = 71 students) and 2 clusters in the control group (n = 72 students). Primary outcome was the overall examination score. Secondary outcomes were student attendance and student evaluation. There was no difference in overall examination score between the intervention group and control group (mean score 56.3 ± 4.8% versus 56.7 ± 5.6%, p = 0.64). The majority of students in the intervention group (n = 51/71, 85%) reported that the PLP and induction meeting enhanced their learning experience. Attendance at the induction meeting was identified as a key element. The creation of a PLP supported by an induction meeting was rated highly by students as an approach to enhance their learning experience but did not result in an improved academic performance. Further research is required to establish the role of an interim or exit meeting.

Introduction to Homogenous Catalysis with Ruthenium-Catalyzed Oxidation of Alcohols: An Experiment for Undergraduate Advanced Inorganic Chemistry Students

ERIC Educational Resources Information Center

Miecznikowski, John R.; Caradonna, John P.; Foley, Kathleen M.; Kwiecien, Daniel J.; Lisi, George P.; Martinez, Anthony M.

2011-01-01

A three-week laboratory experiment, which introduces students in an advanced inorganic chemistry course to air-sensitive chemistry and catalysis, is described. During the first week, the students synthesize RuCl[subscript 2](PPh[subscript 3])[subscript 3]. During the second and third weeks, the students characterize the formed coordination…

University students' achievement goals and approaches to learning in mathematics.

PubMed

Cano, Francisco; Berbén, A B G

2009-03-01

Achievement goals (AG) and students' approaches to learning (SAL) are two research perspectives on student motivation and learning in higher education that have until now been pursued quite independently. This study sets out: (a) to explore the relationship between the most representative variables of SAL and AG; (b) to identify subgroups (clusters) of students with multiple AG; and (c) to examine the differences between these clusters with respect to various SAL and AG characteristics. The participants were 680 male and female 1st year university students studying different subjects (e.g. mathematics, physics, economics) but all enrolled on mathematics courses (e.g. algebra, calculus). Participants completed a series of questionnaires that measured their conceptions of mathematics, approaches to learning, course experience, personal 2 x 2 AG, and perceived AG. SAL and AG variables were moderately associated and related to both the way students perceived their academic environment and the way they conceived of the nature of mathematics (i.e. the perceptual-cognitive framework). Four clusters of students with distinctive multiple AG were identified and when the differences between clusters were analysed, we were able to attribute them to various constructs including perceptual-cognitive framework, learning approaches, and academic performance. This study reveals a consistent pattern of relationships between SAL and AG perspectives across different methods of analysis, supports the relevance of the 2 x 2 AG framework in a mathematics learning context and suggests that AG and SAL may be intertwined aspects of students' experience of learning mathematics at university.

Patterns of Health-Risk Behavior among Japanese High School Students.

ERIC Educational Resources Information Center

Takakura, Minoru; Nagayama, Tomoko; Sakihara, Seizo; Willcox, Craig

2001-01-01

Surveyed Japanese high school students' health risk behavior patterns, examining clustering and accumulation of health risk behaviors. Physical inactivity and alcohol use were the most common risk behaviors. Prevalence rates for most risk behaviors varied by demographic variables. Smoking, drinking, and sexual intercourse clustered among both…

Occupational Preparation--Inspection and Quality Control. Instructor's Guide. The Manufacturing Cluster.

ERIC Educational Resources Information Center

Fairleigh Dickinson Univ., Rutherford, NJ.

Part of a manufacturing cluster series which addresses itself to career awareness, orientation, exploration, and preparation, this guide and its accompanying student manual were written as a direct followup of the instructor's guide and student manual titled "Exploring Manufacturing Occupations." Four major sections are included. The first section…

Unravelling the Mysteries of Slip Histories, Validating Cosmogenic 36Cl Derived Slip Rates on Normal Faults

NASA Astrophysics Data System (ADS)

Goodall, H.; Gregory, L. C.; Wedmore, L.; Roberts, G.; Shanks, R. P.; McCaffrey, K. J. W.; Amey, R.; Hooper, A. J.

2017-12-01

The cosmogenic isotope chlorine-36 (36Cl) is increasingly used as a tool to investigate normal fault slip rates over the last 10-20 thousand years. These slip histories are being used to address complex questions, including investigating slip clustering and understanding local and large scale fault interaction. Measurements are time consuming and expensive, and as a result there has been little work done validating these 36Cl derived slip histories. This study aims to investigate if the results are repeatable and therefore reliable estimates of how normal faults have been moving in the past. Our approach is to test if slip histories derived from 36Cl are the same when measured at different points along the same fault. As normal fault planes are progressively exhumed from the surface they accumulate 36Cl. Modelling these 36Cl concentrations allows estimation of a slip history. In a previous study, samples were collected from four sites on the Magnola fault in the Italian Apennines. Remodelling of the 36Cl data using a Bayesian approach shows that the sites produced disparate slip histories, which we interpret as being due to variable site geomorphology. In this study, multiple sites have been sampled along the Campo Felice fault in the central Italian Apennines. Initial results show strong agreement between the sites we have processed so far and a previous study. This indicates that if sample sites are selected taking the geomorphology into account, then 36Cl derived slip histories will be highly similar when sampled at any point along the fault. Therefore our study suggests that 36Cl derived slip histories are a consistent record of fault activity in the past.

Influence of clay particles on the transport and retention of titanium dioxide nanoparticles in quartz sand.

PubMed

Cai, Li; Tong, Meiping; Wang, Xueting; Kim, Hyunjung

2014-07-01

This study investigated the influence of two representative suspended clay particles, bentonite and kaolinite, on the transport of titanium dioxide nanoparticles (nTiO2) in saturated quartz sand in both NaCl (1 and 10 mM ionic strength) and CaCl2 solutions (0.1 and 1 mM ionic strength) at pH 7. The breakthrough curves of nTiO2 with bentonite or kaolinite were higher than those without the presence of clay particles in NaCl solutions, indicating that both types of clay particles increased nTiO2 transport in NaCl solutions. Moreover, the enhancement of nTiO2 transport was more significant when bentonite was present in nTiO2 suspensions relative to kaolinite. Similar to NaCl solutions, in CaCl2 solutions, the breakthrough curves of nTiO2 with bentonite were also higher than those without clay particles, while the breakthrough curves of nTiO2 with kaolinite were lower than those without clay particles. Clearly, in CaCl2 solutions, the presence of bentonite in suspensions increased nTiO2 transport, whereas, kaolinite decreased nTiO2 transport in quartz sand. The attachment of nTiO2 onto clay particles (both bentonite and kaolinite) were observed under all experimental conditions. The increased transport of nTiO2 in most experimental conditions (except for kaolinite in CaCl2 solutions) was attributed mainly to the clay-facilitated nTiO2 transport. The straining of larger nTiO2-kaolinite clusters yet contributed to the decreased transport (enhanced retention) of nTiO2 in divalent CaCl2 solutions when kaolinite particles were copresent in suspensions.

Mapping antigenic motifs in the trypomastigote small surface antigen from Trypanosoma cruzi.

PubMed

Balouz, Virginia; Cámara, María de Los Milagros; Cánepa, Gaspar E; Carmona, Santiago J; Volcovich, Romina; Gonzalez, Nicolás; Altcheh, Jaime; Agüero, Fernán; Buscaglia, Carlos A

2015-03-01

The trypomastigote small surface antigen (TSSA) is a mucin-like molecule from Trypanosoma cruzi, the etiological agent of Chagas disease, which displays amino acid polymorphisms in parasite isolates. TSSA expression is restricted to the surface of infective cell-derived trypomastigotes, where it functions as an adhesin and engages surface receptors on the host cell as a prerequisite for parasite internalization. Previous results have established TSSA-CL, the isoform encoded by the CL Brener clone, as an appealing candidate for use in serology-based diagnostics for Chagas disease. Here, we used a combination of peptide- and recombinant protein-based tools to map the antigenic structure of TSSA-CL at maximal resolution. Our results indicate the presence of different partially overlapping B-cell epitopes clustering in the central portion of TSSA-CL, which contains most of the polymorphisms found in parasite isolates. Based on these results, we assessed the serodiagnostic performance of a 21-amino-acid-long peptide that spans TSSA-CL major antigenic determinants, which was similar to the performance of the previously validated glutathione S-transferase (GST)-TSSA-CL fusion molecule. Furthermore, the tools developed for the antigenic characterization of the TSSA antigen were also used to explore other potential diagnostic applications of the anti-TSSA humoral response in Chagasic patients. Overall, our present results provide additional insights into the antigenic structure of TSSA-CL and support this molecule as an excellent target for molecular intervention in Chagas disease. Copyright © 2015, American Society for Microbiology. All Rights Reserved.

Mapping Antigenic Motifs in the Trypomastigote Small Surface Antigen from Trypanosoma cruzi

PubMed Central

Balouz, Virginia; Cámara, María de los Milagros; Cánepa, Gaspar E.; Carmona, Santiago J.; Volcovich, Romina; Gonzalez, Nicolás; Altcheh, Jaime; Agüero, Fernán

2015-01-01

The trypomastigote small surface antigen (TSSA) is a mucin-like molecule from Trypanosoma cruzi, the etiological agent of Chagas disease, which displays amino acid polymorphisms in parasite isolates. TSSA expression is restricted to the surface of infective cell-derived trypomastigotes, where it functions as an adhesin and engages surface receptors on the host cell as a prerequisite for parasite internalization. Previous results have established TSSA-CL, the isoform encoded by the CL Brener clone, as an appealing candidate for use in serology-based diagnostics for Chagas disease. Here, we used a combination of peptide- and recombinant protein-based tools to map the antigenic structure of TSSA-CL at maximal resolution. Our results indicate the presence of different partially overlapping B-cell epitopes clustering in the central portion of TSSA-CL, which contains most of the polymorphisms found in parasite isolates. Based on these results, we assessed the serodiagnostic performance of a 21-amino-acid-long peptide that spans TSSA-CL major antigenic determinants, which was similar to the performance of the previously validated glutathione S-transferase (GST)-TSSA-CL fusion molecule. Furthermore, the tools developed for the antigenic characterization of the TSSA antigen were also used to explore other potential diagnostic applications of the anti-TSSA humoral response in Chagasic patients. Overall, our present results provide additional insights into the antigenic structure of TSSA-CL and support this molecule as an excellent target for molecular intervention in Chagas disease. PMID:25589551

Electronic Structure of the Kitaev Material α-RuCl3 Probed by Photoemission and Inverse Photoemission Spectroscopies.

PubMed

Sinn, Soobin; Kim, Choong Hyun; Kim, Beom Hyun; Lee, Kyung Dong; Won, Choong Jae; Oh, Ji Seop; Han, Moonsup; Chang, Young Jun; Hur, Namjung; Sato, Hitoshi; Park, Byeong-Gyu; Kim, Changyoung; Kim, Hyeong-Do; Noh, Tae Won

2016-12-21

Recently, α-RuCl 3 has attracted much attention as a possible material to realize the honeycomb Kitaev model of a quantum-spin-liquid state. Although the magnetic properties of α-RuCl 3 have been extensively studied, its electronic structure, which is strongly related to its Kitaev physics, is poorly understood. Here, the electronic structure of α-RuCl 3 was investigated by photoemission (PE) and inverse-photoemission (IPE) spectroscopies. The band gap was directly measured from the PE and IPE spectra and was found to be 1.9 eV, much larger than previously estimated values. Local density approximation (LDA) calculations showed that the on-site Coulomb interaction U could open the band gap without spin-orbit coupling (SOC). However, the SOC should also be incorporated to reproduce the proper gap size, indicating that the interplay between U and SOC plays an essential role. Several features of the PE and IPE spectra could not be explained by the results of LDA calculations. To explain such discrepancies, we performed configuration-interaction calculations for a RuCl 6 3- cluster. The experimental data and calculations demonstrated that the 4d compound α-RuCl 3 is a J eff  = 1/2 Mott insulator rather than a quasimolecular-orbital insulator. Our study also provides important physical parameters required for verifying the proposed Kitaev physics in α-RuCl 3 .

Electronic Structure of the Kitaev Material α-RuCl3 Probed by Photoemission and Inverse Photoemission Spectroscopies

PubMed Central

Sinn, Soobin; Kim, Choong Hyun; Kim, Beom Hyun; Lee, Kyung Dong; Won, Choong Jae; Oh, Ji Seop; Han, Moonsup; Chang, Young Jun; Hur, Namjung; Sato, Hitoshi; Park, Byeong-Gyu; Kim, Changyoung; Kim, Hyeong-Do; Noh, Tae Won

2016-01-01

Recently, α-RuCl3 has attracted much attention as a possible material to realize the honeycomb Kitaev model of a quantum-spin-liquid state. Although the magnetic properties of α-RuCl3 have been extensively studied, its electronic structure, which is strongly related to its Kitaev physics, is poorly understood. Here, the electronic structure of α-RuCl3 was investigated by photoemission (PE) and inverse-photoemission (IPE) spectroscopies. The band gap was directly measured from the PE and IPE spectra and was found to be 1.9 eV, much larger than previously estimated values. Local density approximation (LDA) calculations showed that the on-site Coulomb interaction U could open the band gap without spin-orbit coupling (SOC). However, the SOC should also be incorporated to reproduce the proper gap size, indicating that the interplay between U and SOC plays an essential role. Several features of the PE and IPE spectra could not be explained by the results of LDA calculations. To explain such discrepancies, we performed configuration-interaction calculations for a RuCl63− cluster. The experimental data and calculations demonstrated that the 4d compound α-RuCl3 is a Jeff = 1/2 Mott insulator rather than a quasimolecular-orbital insulator. Our study also provides important physical parameters required for verifying the proposed Kitaev physics in α-RuCl3. PMID:28000731

Investigations of the Rg-BrCl (Rg = He, Ne, Ar, Kr, Xe) binary van der Waals complexes: ab initio intermolecular potential energy surfaces, vibrational states and predicted pure rotational transition frequencies

NASA Astrophysics Data System (ADS)

Li, Song; Zheng, Rui; Chen, Shan-Jun; Chen, Yan; Chen, Peng

2017-03-01

The intermolecular potential energy surfaces (PESs) of the ground electronic state for the Rg-BrCl (Rg = He, Ne, Ar, Kr, Xe) van der Waals complexes have been constructed by using the coupled-cluster method in combination with the augmented quadruple-zeta correlation-consistent basis sets supplemented with an additional set of bond functions. The features of the anisotropic PESs for these complexes are remarkably similar, which are characterized by three minima and two saddle points between them. The global minimum corresponds to a collinear Rg-Br-Cl configuration. Two local minima, correlate with an anti-linear Rg-Cl-Br geometry and a nearly T-shaped structure, can also be located on each PES. The quantum bound state calculations enable us to investigate intermolecular vibrational states and rotational energy levels of the complexes. The transition frequencies are predicted and are fitted to obtain their corresponding spectroscopic constants. In general, the periodic trends are observed for this complex family. Comparisons with available experimental data for the collinear isomer of Ar-BrCl demonstrate reliability of our theoretical predictions, and our results for the other two isomers of Ar-BrCl as well as for other members of the complex family are also anticipated to be trustable. Except for the collinear isomer of Ar-BrCl, the data presented in this paper would be beneficial to improve our knowledge for these experimentally unknown species.

The effect of sodium chloride on molecular mobility in amorphous sucrose detected by phosphorescence from the triplet probe erythrosin B.

PubMed

You, Yumin; Ludescher, Richard D

2008-02-04

Phosphorescence from the triplet probe erythrosin B provides spectroscopic characteristics such as emission energy and lifetime that are specifically sensitive to molecular mobility of the local environment. This study used phosphorescence of erythrosin B to investigate how variation in NaCl content modulated the mobility of the amorphous sucrose matrix over the temperature range from 5 to 100 degrees C. Addition of NaCl increased the emission energy and the energy difference with excitation at the absorption maximum and the red edge, and increased the lifetime by reducing the non-radiative decay rate in the glass as well as in the undercooled liquid in a concentration dependent manner, indicating that NaCl decreased the matrix molecular mobility. Emission energy and lifetime increased with increasing NaCl content up to a maximum at NaCl/sucrose mole ratio of approximately 0.5; above 0.5 mole ratio, the effect of NaCl was less significant and appeared to be opposed by increasing plasticization by residual water. Changes in the width of the distribution of the emission energy and lifetime and variation in the lifetime with excitation and emission wavelength indicated that NaCl increased the spectral heterogeneity and thus increased the extent of dynamic site heterogeneity. These results are consistent with a physical model in which sodium and chloride ions interact with sucrose OH by ion-dipole interactions, forming clusters of less mobile molecules within the matrix.

Astronomy Fun with Mobile Devices

NASA Astrophysics Data System (ADS)

Pilachowski, Catherine A.; Morris, Frank

2016-01-01

Those mobile devices your students bring to class can do more that tweet and text. Engage your students with these web-based astronomy learning tools that allow students to manipulate astronomical data to learn important concepts. The tools are HTML5, CSS3, Javascript-based applications that provide access to the content on iPad and Android tablets. With "Three Color" students can combine monochrome astronomical images taken through different color filters or in different wavelength regions into a single color image. "Star Clusters" allows students to compare images of clusters with a pre-defined template of colors and sizes to compare clusters of different ages. An adaptation of Travis Rector's "NovaSearch" allows students to examine images of the central regions of the Andromeda Galaxy to find novae and to measure the time over which the nova fades away. New additions to our suite of applications allow students to estimate the surface temperatures of exoplanets and the probability of life elsewhere in the Universe. Further information and access to these web-based tools are available at www.astro.indiana.edu/ala/.

Electronically highly cubic conditions for Ru in α -RuCl3

NASA Astrophysics Data System (ADS)

Agrestini, S.; Kuo, C.-Y.; Ko, K.-T.; Hu, Z.; Kasinathan, D.; Vasili, H. B.; Herrero-Martin, J.; Valvidares, S. M.; Pellegrin, E.; Jang, L.-Y.; Henschel, A.; Schmidt, M.; Tanaka, A.; Tjeng, L. H.

2017-10-01

We studied the local Ru 4 d electronic structure of α -RuCl3 by means of polarization-dependent x-ray absorption spectroscopy at the Ru L2 ,3 edges. We observed a vanishingly small linear dichroism indicating that electronically the Ru 4 d local symmetry is highly cubic. Using full multiplet cluster calculations we were able to reproduce the spectra excellently and to extract that the trigonal splitting of the t2 g orbitals is -12 ±10 meV, i.e., negligible as compared to the Ru 4 d spin-orbit coupling constant. Consistent with our magnetic circular dichroism measurements, we found that the ratio of the orbital and spin moments is 2.0, the value expected for a Jeff=1/2 ground state. We have thus shown that as far as the Ru 4 d local properties are concerned, α -RuCl3 is an ideal candidate for the realization of Kitaev physics.

An ab initio MO study on the hydrolysis of methyl chloride with explicit consideration of 13 water molecules

NASA Astrophysics Data System (ADS)

Yamataka, Hiroshi; Aida, Misako

1998-06-01

Ab initio MO calculations (HF/3-21G, HF/6-31G, HF/6-31+G* and MP2/6-31+G*) were carried out on the hydrolysis of CH 3Cl in which up to 13 water solvent molecules were explicitly considered. For n⩾3, three important stationary points ( cmp1, TS, and cmp2) were detected in the course of the reaction. The calculations for the n=13 system at the HF/6-31+G* level reproduced the experimental activation enthalpy and the secondary deuterium kinetic isotope effect. The two reacting bond lengths in the transition state are 1.975 Å (O-C) and 2.500 Å (C-Cl), and CH 3Cl is surrounded by 13 water molecules without any apparent vacant space. The proton transfer from the attacking water to the water cluster occurs after TS is reached.

A cluster of cutaneous leishmaniasis associated with human smuggling.

PubMed

Cannella, Anthony P; Nguyen, Bichchau M; Piggott, Caroline D; Lee, Robert A; Vinetz, Joseph M; Mehta, Sanjay R

2011-06-01

Cutaneous leishmaniasis (CL) is rarely seen in the United States, and the social and geographic context of the infection can be a key to its diagnosis and management. Four Somali and one Ethiopian, in U.S. Border Patrol custody, came to the United States by the same human trafficking route: Djibouti to Dubai to Moscow to Havana to Quito; and then by ground by Columbia/Panama to the United States-Mexico border where they were detained. Although traveling at different times, all five patients simultaneously presented to our institution with chronic ulcerative skin lesions at different sites and stages of evolution. Culture of biopsy specimens grew Leishmania panamensis. Soon thereafter, three individuals from East Africa traveling the identical route presented with L. panamensis CL to physicians in Tacoma, WA. We document here the association of a human trafficking route and new world CL. Clinicians and public health officials should be aware of this emerging infectious disease risk.

Elimination-Fusion Self-Assembly of a Nanometer-Scale 72-Nucleus Silver Cluster Caging a Pair of [EuW10 O36 ]9- Polyoxometalates.

PubMed

Zhang, Shan-Shan; Su, Hai-Feng; Wang, Zhi; Wang, Xing-Po; Chen, Wen-Xian; Zhao, Quan-Qin; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun

2018-02-06

The largest known polyoxometalate (POM)-templated silver-alkynyl cluster, [(EuW 10 O 36 ) 2 @Ag 72 (tBuC≡C) 48 Cl 2 ⋅4 BF 4 ] (SD/Ag20), was isolated under solvothermal conditions and structurally characterized. It was confirmed by single-crystal X-ray diffraction (SCXRD) as a {EuW 10 } 2 -in-{Ag 72 } clusters-in-cluster rod-like compound. The high-resolution electrospray ionization mass spectrometry (HR-ESI-MS) shows that such a double anion-templated cluster is assembled from a crucial single anion-templated Ag 42 intermediate in the solution. The crystallization of Ag 42 species (SD/Ag21), followed by SCXRD, gave an important clue about the assembly route of SD/Ag20 in solution: the Ag 42 cluster eliminates six silver atoms laterally, then fuses together at the vacant face to form the final Ag 72 cluster (elimination-fusion mechanism). The characteristic emission of [EuW 10 O 36 ] 9- is well maintained in SD/Ag20. This work not only provides a new method for the synthesis of larger silver clusters as well as the functional integration of the silver cluster and POMs, but also gives deep insights about the high-nuclear silver cluster assembly mechanism. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Another First: The National Park Service Opens Summer Work Programs to Students with Disabilities.

ERIC Educational Resources Information Center

Satz, Jonathan

1986-01-01

The Student Conservation Association has expanded its summer park service opportunities to disabled youth over 18. Students undertake a full range of duties in interpretation and visitor services; resource, recreation, forest, range, and wildlife management; trail construction and maintenance; backcountry and river patrols; and research. (CL)

Improving Attitudes of High School Students toward Their Handicapped Peers.

ERIC Educational Resources Information Center

Handlers, Adele; Austin, Katherine

1980-01-01

Twenty secondary students participated in a sociology class training program judged by them as successful in acquainting them with handicapping conditions and handicapped people, easing mainstreaming, and developing teaching materials for use in other classes. (CL)

Evaluating Microcomputer Access Technology for Use by Visually Impaired Students.

ERIC Educational Resources Information Center

Ruconich, Sandra

1984-01-01

The article outlines advantages and limitations of five types of access to microcomputer technology for visually impaired students: electronic braille, paper braille, Optacon, synthetic speech, and enlarged print. Additional considerations in access decisions are noted. (CL)

Student effort expectations and their learning in first-year introductory physics: A case study in Thailand

NASA Astrophysics Data System (ADS)

Wutchana, U.; Emarat, N.

2011-06-01

The Maryland Physics Expectations (MPEX) survey was designed to probe students’ expectations about their understanding of the process of learning physics and the structure of physics knowledge—cognitive expectations. This survey was administered to first-year university students in Thailand in the first semester of an introductory calculus-based physics course during academic years 2007 and 2008, to assess their expectations at the beginning of the course. The precourse MPEX results were compared and correlated with two separate measures of student learning: (1) individual students’ normalized gains from pre and post Force and Motion Conceptual Evaluation (FMCE) results, which measure students’ conceptual understanding, and (2) student’s scores on the final exam, which measure their more general problem-solving ability. The results showed a significant positive correlation between their overall MPEX score and five of the six MPEX cluster scores, with their normalized learning gains on the FMCE for both academic years. The results also showed significant positive correlations between student MPEX scores and their final exam scores for the overall MPEX score and all MPEX cluster scores except for the effort cluster. We interviewed two groups of five students each, one group with small favorable scores on the precourse MPEX effort cluster and one with high favorable scores on the precourse MPEX effort cluster, to see how the students’ learning efforts compared with their MPEX results. We concluded from the interviews that what the students think or expect about the MPEX effort involved in learning physics does not match what they actually do.

Enhancing Expectations of Cooperative Learning Use through Initial Teacher Training

ERIC Educational Resources Information Center

Duran Gisbert, David; Corcelles Seuba, Mariona; Flores Coll, Marta

2017-01-01

Despite its relevance and evidence support, Cooperative Learning (CL) is a challenge for all educational systems due to the difficulties in its implementation. The objective of this study is to identify the effect of Primary Education initial teacher training in the prediction of future CL use. Two groups of 44 and 45 students were conceptually…

Construction of Ag/AgCl Reference Electrode from Used Felt-Tipped Pen Barrel for Undergraduate Laboratory

ERIC Educational Resources Information Center

Inamdar, Shaukatali N.; Bhat, Mohsin A.; Haram, Santosh K.

2009-01-01

A reference electrode is one of the prerequisites of electrochemical investigations. Many electrodes are commercially available but are expensive and prone to accidental breakage by students. Here we report a simple, easy-to-fabricate, inexpensive, reliable, unbreakable, and reproducible Ag/AgCl reference electrode. The empty barrel of a…

Preparation, IR spectroscopy, and time-of-flight mass spectrometry of halogenated and methylated Si(111)

NASA Astrophysics Data System (ADS)

Salingue, Nils; Hess, Peter

2011-09-01

The preparation of chlorine-, bromine-, and iodine-terminated silicon surfaces (Si(111):Cl, Br, and I) using atomically flat Si(111)-(1×1):H is described. The halogenated surfaces were obtained by photochemically induced radical substitution reactions with the corresponding dihalogen in a Schlenk tube by conventional inert gas chemistry. The nucleophilic substitution of the Si-Cl functionality with the Grignard reagent (CH3MgCl) resulted in the unreconstructed methylated Si(111)-(1×1):CH3 surface. The halogenated and methylated silicon surfaces were characterized by Fourier transform infrared (FTIR) spectroscopy and laser-induced desorption of monolayers (LIDOM). Calibration of the desorption temperature via analysis of time-of-flight (TOF) distributions as a function of laser fluence allowed the determination of the originally emitted neutral fragments by TOF mass spectrometry using electron-impact ionization. The halogens were desorbed atomically and as SiX n (X = Cl, Br) clusters. The methyl groups mainly desorbed as methyl and ethyl fragments and a small amount of +SiCH3.

Accumulating pollutants in conifer needles on an Atlantic island - a case study with Pinus canariensis on Tenerife, Canary Islands.

PubMed

Tausz, Michael; Trummer, Walter; Goessler, Walter; Wonisch, Astrid; Grill, Dieter; Naumann, Simone; Jiménez, Maria Soledad; Morales, Domingo

2005-08-01

Concentrations of potential pollutant elements Na, Cl, and S were investigated in needles of Pinus canariensis grown at 55 field plots in Tenerife. Microelement concentrations (including heavy metals) were measured at a subset of 18 plots. Na and Cl concentrations were high at low elevations (up to 8 mg g(-1) Cl and 5.5 mg g(-1) Na). Na/Cl ratio close to standard seawater indicated sea spray influence up to 1200 m a.s.l. Only at few plots, sulphur concentrations indicated possible pollutant impact. Cluster and correlation analyses identified a related group of V, As, Cr, Fe, Mo, Ni, Cu, Pb, and Al, possibly related to traffic exhaust aggregated with soil particles. Mainly north-eastern, lower elevated plots were exposed to those immissions, but metal concentrations were generally low compared to data from other studies. In conclusion, seawater and soil particles explained most of the element distribution pattern in pine needles in Tenerife, but strong indications for some effect of local sources of air pollutants were detected.

Forward flux sampling calculation of homogeneous nucleation rates from aqueous NaCl solutions.

PubMed

Jiang, Hao; Haji-Akbari, Amir; Debenedetti, Pablo G; Panagiotopoulos, Athanassios Z

2018-01-28

We used molecular dynamics simulations and the path sampling technique known as forward flux sampling to study homogeneous nucleation of NaCl crystals from supersaturated aqueous solutions at 298 K and 1 bar. Nucleation rates were obtained for a range of salt concentrations for the Joung-Cheatham NaCl force field combined with the Extended Simple Point Charge (SPC/E) water model. The calculated nucleation rates are significantly lower than the available experimental measurements. The estimates for the nucleation rates in this work do not rely on classical nucleation theory, but the pathways observed in the simulations suggest that the nucleation process is better described by classical nucleation theory than an alternative interpretation based on Ostwald's step rule, in contrast to some prior simulations of related models. In addition to the size of NaCl nucleus, we find that the crystallinity of a nascent cluster plays an important role in the nucleation process. Nuclei with high crystallinity were found to have higher growth probability and longer lifetimes, possibly because they are less exposed to hydration water.

Forward flux sampling calculation of homogeneous nucleation rates from aqueous NaCl solutions

NASA Astrophysics Data System (ADS)

Jiang, Hao; Haji-Akbari, Amir; Debenedetti, Pablo G.; Panagiotopoulos, Athanassios Z.

2018-01-01

We used molecular dynamics simulations and the path sampling technique known as forward flux sampling to study homogeneous nucleation of NaCl crystals from supersaturated aqueous solutions at 298 K and 1 bar. Nucleation rates were obtained for a range of salt concentrations for the Joung-Cheatham NaCl force field combined with the Extended Simple Point Charge (SPC/E) water model. The calculated nucleation rates are significantly lower than the available experimental measurements. The estimates for the nucleation rates in this work do not rely on classical nucleation theory, but the pathways observed in the simulations suggest that the nucleation process is better described by classical nucleation theory than an alternative interpretation based on Ostwald's step rule, in contrast to some prior simulations of related models. In addition to the size of NaCl nucleus, we find that the crystallinity of a nascent cluster plays an important role in the nucleation process. Nuclei with high crystallinity were found to have higher growth probability and longer lifetimes, possibly because they are less exposed to hydration water.

Embroidered polymer-collagen hybrid scaffold variants for ligament tissue engineering.

PubMed

Hoyer, M; Drechsel, N; Meyer, M; Meier, C; Hinüber, C; Breier, A; Hahner, J; Heinrich, G; Rentsch, C; Garbe, L-A; Ertel, W; Schulze-Tanzil, G; Lohan, A

2014-10-01

Embroidery techniques and patterns used for scaffold production allow the adaption of biomechanical scaffold properties. The integration of collagen into embroidered polylactide-co-caprolactone [P(LA-CL)] and polydioxanone (PDS) scaffolds could stimulate neo-tissue formation by anterior cruciate ligament (ACL) cells. Therefore, the aim of this study was to test embroidered P(LA-CL) and PDS scaffolds as hybrid scaffolds in combination with collagen hydrogel, sponge or foam for ligament tissue engineering. ACL cells were cultured on embroidered P(LA-CL) and PDS scaffolds without or with collagen supplementation. Cell adherence, vitality, morphology and ECM synthesis were analyzed. Irrespective of thread size, ACL cells seeded on P(LA-CL) scaffolds without collagen adhered and spread over the threads, whereas the cells formed clusters on PDS and larger areas remained cell-free. Using the collagen hydrogel, the scaffold colonization was limited by the gel instability. The collagen sponge layers integrated into the scaffolds were hardly penetrated by the cells. Collagen foams increased scaffold colonization in P(LA-CL) but did not facilitate direct cell-thread contacts in the PDS scaffolds. The results suggest embroidered P(LA-CL) scaffolds as a more promising basis for tissue engineering an ACL substitute than PDS due to superior cell attachment. Supplementation with a collagen foam presents a promising functionalization strategy. Copyright © 2014 Elsevier B.V. All rights reserved.

Effects of a Physical Education-Based Programme on Health-Related Physical Fitness and Its Maintenance in High School Students: A Cluster-Randomized Controlled Trial

ERIC Educational Resources Information Center

Mayorga-Vega, Daniel; Montoro-Escaño, Jorge; Merino-Marban, Rafael; Viciana, Jesús

2016-01-01

The purpose of this study was to examine the effects of a physical education-based development and maintenance programme on objective and perceived health-related physical fitness in high school students. A sample of 111 students aged 12-14 years old from six classes were cluster-randomly assigned to an experimental group (n = 54) or a control…

The Efficiency of Cluster Method in Improving the Creative Writing Skill of 6th Grade Students of Primary School

ERIC Educational Resources Information Center

Sahbaz, Namik Kemal; Duran, Gozde

2011-01-01

The aim of this research is to search the effect of the cluster method on the creative writing skill of 6th grade students. In this paper, the students of 6-A, studying at Ulas Primary School in 2010-2011 academic year, were divided into two groups as experiment and control. Taking into consideration the various variants, pre-test and last-test…

Au13(8e): A secondary block for describing a special group of liganded gold clusters containing icosahedral Au13 motifs

NASA Astrophysics Data System (ADS)

Xu, Wen Wu; Zeng, Xiao Cheng; Gao, Yi

2017-05-01

A grand unified model (GUM) has been proposed recently to understand structure anatomy and evolution of liganded gold clusters. In this work, besides the two types of elementary blocks (triangular Au3(2e) and tetrahedral Au4(2e)), we introduce a secondary block, namely, the icosahedral Au13 with 8e valence electrons, noted as Au13(8e). Using this secondary block, structural anatomy and evolution of a special group of liganded gold nanoclusters containing icosahedral Au13 motifs can be conveniently analyzed. In addition, a new ligand-protected cluster Au49(PR3)10(SR)15Cl2 is predicted to exhibit high chemical and thermal stability, suggesting likelihood of its synthesis in the laboratory.

Presence of Li Clusters in Molten LiCl-Li

PubMed Central

Merwin, Augustus; Phillips, William C.; Williamson, Mark A.; Willit, James L.; Motsegood, Perry N.; Chidambaram, Dev

2016-01-01

Molten mixtures of lithium chloride and metallic lithium are of significant interest in various metal oxide reduction processes. These solutions have been reported to exhibit seemingly anomalous physical characteristics that lack a comprehensive explanation. In the current work, the physical chemistry of molten solutions of lithium chloride and metallic lithium, with and without lithium oxide, was investigated using in situ Raman spectroscopy. The Raman spectra obtained from these solutions were in agreement with the previously reported spectrum of the lithium cluster, Li8. This observation is indicative of a nanofluid type colloidal suspension of Li8 in a molten salt matrix. It is suggested that the formation and suspension of lithium clusters in lithium chloride is the cause of various phenomena exhibited by these solutions that were previously unexplainable. PMID:27145895

Extended VHE γ-ray emission towards SGR1806-20, LBV 1806-20, and stellar cluster Cl* 1806-20

NASA Astrophysics Data System (ADS)

H.E.S.S. Collaboration; Abdalla, H.; Abramowski, A.; Aharonian, F.; Ait Benkhali, F.; Akhperjanian, A. G.; Angüner, E. O.; Arrieta, M.; Aubert, P.; Backes, M.; Balzer, A.; Barnard, M.; Becherini, Y.; Becker Tjus, J.; Berge, D.; Bernhard, S.; Bernlöhr, K.; Birsin, E.; Blackwell, R.; Böttcher, M.; Boisson, C.; Bolmont, J.; Bordas, P.; Bregeon, J.; Brun, F.; Brun, P.; Bryan, M.; Bulik, T.; Capasso, M.; Carr, J.; Casanova, S.; Chakraborty, N.; Chalme-Calvet, R.; Chaves, R. C. G.; Chen, A.; Chevalier, J.; Chrétien, M.; Colafrancesco, S.; Cologna, G.; Condon, B.; Conrad, J.; Couturier, C.; Cui, Y.; Davids, I. D.; Degrange, B.; Deil, C.; deWilt, P.; Djannati-Ataï, A.; Domainko, W.; Donath, A.; Drury, L. O.'C.; Dubus, G.; Dutson, K.; Dyks, J.; Dyrda, M.; Edwards, T.; Egberts, K.; Eger, P.; Ernenwein, J.-P.; Eschbach, S.; Farnier, C.; Fegan, S.; Fernandes, M. V.; Fiasson, A.; Fontaine, G.; Förster, A.; Funk, S.; Füßling, M.; Gabici, S.; Gajdus, M.; Gallant, Y. A.; Garrigoux, T.; Giavitto, G.; Giebels, B.; Glicenstein, J. F.; Gottschall, D.; Goyal, A.; Grondin, M.-H.; Grudzińska, M.; Hadasch, D.; Hahn, J.; Hawkes, J.; Heinzelmann, G.; Henri, G.; Hermann, G.; Hervet, O.; Hillert, A.; Hinton, J. A.; Hofmann, W.; Hoischen, C.; Holler, M.; Horns, D.; Ivascenko, A.; Jacholkowska, A.; Jamrozy, M.; Janiak, M.; Jankowsky, D.; Jankowsky, F.; Jingo, M.; Jogler, T.; Jouvin, L.; Jung-Richardt, I.; Kastendieck, M. A.; Katarzyński, K.; Katz, U.; Kerszberg, D.; Khélifi, B.; Kieffer, M.; King, J.; Klepser, S.; Klochkov, D.; Kluźniak, W.; Kolitzus, D.; Komin, Nu.; Kosack, K.; Krakau, S.; Kraus, M.; Krayzel, F.; Krüger, P. P.; Laffon, H.; Lamanna, G.; Lau, J.; Lees, J.-P.; Lefaucheur, J.; Lefranc, V.; Lemière, A.; Lemoine-Goumard, M.; Lenain, J.-P.; Leser, E.; Lohse, T.; Lorentz, M.; Liu, R.; Lypova, I.; Marandon, V.; Marcowith, A.; Mariaud, C.; Marx, R.; Maurin, G.; Maxted, N.; Mayer, M.; Meintjes, P. J.; Menzler, U.; Meyer, M.; Mitchell, A. M. W.; Moderski, R.; Mohamed, M.; Morå, K.; Moulin, E.; Murach, T.; de Naurois, M.; Niederwanger, F.; Niemiec, J.; Oakes, L.; Odaka, H.; Öttl, S.; Ohm, S.; Ostrowski, M.; Oya, I.; Padovani, M.; Panter, M.; Parsons, R. D.; Paz Arribas, M.; Pekeur, N. W.; Pelletier, G.; Petrucci, P.-O.; Peyaud, B.; Pita, S.; Poon, H.; Prokhorov, D.; Prokoph, H.; Pühlhofer, G.; Punch, M.; Quirrenbach, A.; Raab, S.; Reimer, A.; Reimer, O.; Renaud, M.; de Reyes, R.; Rieger, F.; Romoli, C.; Rosier-Lees, S.; Rowell, G.; Rudak, B.; Rulten, C. B.; Sahakian, V.; Salek, D.; Sanchez, D. A.; Santangelo, A.; Sasaki, M.; Schlickeiser, R.; Schüssler, F.; Schulz, A.; Schwanke, U.; Schwemmer, S.; Seyffert, A. S.; Shafi, N.; Shilon, I.; Simoni, R.; Sol, H.; Spanier, F.; Spengler, G.; Spies, F.; Stawarz, Ł.; Steenkamp, R.; Stegmann, C.; Stinzing, F.; Stycz, K.; Sushch, I.; Tavernet, J.-P.; Tavernier, T.; Taylor, A. M.; Terrier, R.; Tluczykont, M.; Trichard, C.; Tuffs, R.; van der Walt, J.; van Eldik, C.; van Soelen, B.; Vasileiadis, G.; Veh, J.; Venter, C.; Viana, A.; Vincent, P.; Vink, J.; Voisin, F.; Völk, H. J.; Vuillaume, T.; Wadiasingh, Z.; Wagner, S. J.; Wagner, P.; Wagner, R. M.; White, R.; Wierzcholska, A.; Willmann, P.; Wörnlein, A.; Wouters, D.; Yang, R.; Zabalza, V.; Zaborov, D.; Zacharias, M.; Zdziarski, A. A.; Zech, A.; Zefi, F.; Ziegler, A.; Żywucka, N.

2018-04-01

Using the High Energy Spectroscopic System (H.E.S.S.) telescopes we have discovered a steady and extended very high-energy (VHE) γ-ray source towards the luminous blue variable candidate LBV 1806-20, massive stellar cluster Cl* 1806-20, and magnetar SGR 1806-20. The new VHE source, HESS J1808-204, was detected at a statistical significance of >6σ (post-trial) with a photon flux normalisation (2.9 ± 0.4stat ± 0.5sys) × 10-13 ph cm-2 s-1 TeV-1 at 1 TeV and a power-law photon index of 2.3 ± 0.2stat ± 0.3sys. The luminosity of this source (0.2 to 10 TeV; scaled to distance d = 8.7 kpc) is LVHE 1.6 × 1034(d/8.7 kpc)2 erg s-1. The VHE γ-ray emission is extended and is well fit by a single Gaussian with statistical standard deviation of 0.095° ± 0.015°. This extension is similar to that of the synchrotron radio nebula G10.0-0.3, which is thought to be powered by LBV 1806-20. The VHE γ-ray luminosity could be provided by the stellar wind luminosity of LBV 1806-20 by itself and/or the massive star members of Cl* 1806-20. Alternatively, magnetic dissipation (e.g. via reconnection) from SGR 1806-20 can potentially account for the VHE luminosity. The origin and hadronic and/or leptonic nature of the accelerated particles responsible for HESS J1808-204 is not yet clear. If associated with SGR 1806-20, the potentially young age of the magnetar (650 yr) can be used to infer the transport limits of these particles to match the VHE source size. This discovery provides new interest in the potential for high-energy particle acceleration from magnetars, massive stars, and/or stellar clusters.

Fundamental movement skills and motivational factors influencing engagement in physical activity.

PubMed

Kalaja, Sami; Jaakkola, Timo; Liukkonen, Jarmo; Watt, Anthony

2010-08-01

To assess whether subgroups based on children's fundamental movement skills, perceived competence, and self-determined motivation toward physical education vary with current self-reported physical activity, a sample of 316 Finnish Grade 7 students completed fundamental movement skills measures and self-report questionnaires assessing perceived competence, self-determined motivation toward physical education, and current physical activity. Cluster analysis indicated a three-cluster structure: "Low motivation/low skills profile," "High skills/low motivation profile," and "High skills/high motivation profile." Analysis of variance indicated that students in the third cluster engaged in significantly more physical activity than students of clusters one and two. These results provide support for previous claims regarding the importance of the relationship of fundamental movement skills with continuing engagement in physical activity. High fundamental movement skills, however, may represent only one element in maintaining adolescents' engagement in physical activity.

Factors influencing students' performance in a Brazilian dental school.

PubMed

Silva, Erica Tatiane da; Nunes, Maria de Fátima; Queiroz, Maria Goretti; Leles, Cláudio R

2010-01-01

Comprehensive assessment of students' academic performance plays an important role in educational planning. The aim of this study was to investigate variables that influence student's performance in a retrospective sample including all undergraduate students who entered in a Brazilian dental school, in a 20-year period between 1984 and 2003 (n=1182). Demographic and educational variables were used to predict performance in the overall curriculum and course groups. Cluster analysis (K-means algorithm) categorized students into groups of higher, moderate or lower performance. Clusters of overall performance showed external validity, demonstrated by Chi-square test and ANOVA. Lower performance groups had the smallest number of students in overall performance and course groups clusters, ranging from 11.8% (clinical courses) to 19.2% (basic courses). Students' performance was more satisfactory in dental and clinical courses, rather than basic and non-clinical courses (p<0.001). Better student's performance was predicted by lower time elapsed between completion of high school and dental school admission, female gender, better rank in admission test, class attendance rate and student workload hours in teaching, research and extension (R(2)=0.491). Findings give evidence about predictors of undergraduate students' performance and reinforce the need for curricular reformulation focused on with improvement of integration among courses.

Live lectures or online videos: students' resource choices in a first-year university mathematics module

NASA Astrophysics Data System (ADS)

Howard, Emma; Meehan, Maria; Parnell, Andrew

2018-05-01

In Maths for Business, a mathematics module for non-mathematics specialists, students are given the choice of completing the module content via short online videos, live lectures or a combination of both. In this study, we identify students' specific usage patterns with both of these resources and discuss their reasons for the preferences they exhibit. In 2015-2016, we collected quantitative data on each student's resource usage (attendance at live lectures and access of online videos) for the entire class of 522 students and employed model-based clustering which identified four distinct resource usage patterns with lectures and/or videos. We also collected qualitative data on students' perceptions of resource usage through a survey administered at the end of the semester, to which 161 students responded. The 161 survey responses were linked to each cluster and analysed using thematic analysis. Perceived benefits of videos include flexibility of scheduling and pace, and avoidance of large, long lectures. In contrast, the main perceived advantages of lectures are the ability to engage in group tasks, to ask questions, and to learn 'gradually'. Students in the two clusters with high lecture attendance achieved, on average, higher marks in the module.

Modelling the magnetic behaviour of square-pyramidal Co(II)5 aggregates: tuning SMM behaviour through variations in the ligand shell.

PubMed

Klöwer, Frederik; Lan, Yanhua; Nehrkorn, Joscha; Waldmann, Oliver; Anson, Christopher E; Powell, Annie K

2009-07-27

Three new mu4-bridged Co(II)5 clusters with similar core motifs have been synthesised with the use of N-tert-butyldiethanolamine (tbdeaH2) and pivalic acid (piv): [Co(II)5(mu4-N3)(tbdea)2(mu-piv)4(piv)(CH3CN)2].CH3CN (1), [Co(II)5(mu4-Cl)(Cl)(tbdea)2(mu-piv)4(pivH)2] (2) and [Co(II)5(mu4-N3)(Cl)(tbdea)2(mu-piv)4(pivH)2] (3). Magnetic measurements were performed for all three compounds. It was found that while the chloride-bridged cluster 2 does not show an out-of-phase signal, which excludes single-molecule magnet (SMM) behaviour, the azide-bridged compounds 1 and 3 show out-of-phase signals as well as frequency dependence of the ac susceptibility, as expected for SMMs. We confirmed that 1 is a SMM with zero-field quantum tunnelling of the magnetisation at 1.8 K. Compound 3 is likely a SMM with a blocking temperature well below 1.8 K. We established a physical model to fit the chiT versus T and M versus B curves of the three compounds to reproduce the observed SMM trend. The analysis showed that small changes in the ligand shell modify not only the magnitude of exchange constants, but also affect the J and g matrices in a non-trivial way.

Career and Technical Education as Pathways: Factors Influencing Postcollege Earnings of Selected Career Clusters

ERIC Educational Resources Information Center

Compton, Jonathan I.; Laanan, Frankie Santos; Starobin, Soko S.

2010-01-01

This study investigated the relationship between student characteristics such as gender, race/ethnicity, program of study, degree completion, and earnings outcomes for students enrolled in career and technical education (CTE) programs within the business, information technology (IT), and marketing career clusters in community colleges to determine…

Measuring the Accountability of CTE Programs: Factors that Influence Postcollege Earnings among Community College Students

ERIC Educational Resources Information Center

Maguire, Kenneth J.; Starobin, Soko S.; Laanan, Frankie Santos; Friedel, Janice N.

2012-01-01

In this study specific factors were examined to determine their ability to influence fifth-year earnings of community college students in the Manufacturing/Science, Technology, Engineering and Math (STEM) career cluster and the Arts/Audiovisual/Technology/ Communication career cluster. State and national data sets from Iowa's Management…

Student Motivation and Learning in Mathematics and Science: A Cluster Analysis

ERIC Educational Resources Information Center

Ng, Betsy L. L.; Liu, W. C.; Wang, John C. K.

2016-01-01

The present study focused on an in-depth understanding of student motivation and self-regulated learning in mathematics and science through cluster analysis. It examined the different learning profiles of motivational beliefs and self-regulatory strategies in relation to perceived teacher autonomy support, basic psychological needs (i.e. autonomy,…

Career Exploration Program: A Cluster Approach. Publication No. 0057.

ERIC Educational Resources Information Center

Ansbro, William; And Others

Based on the occupational clusters designated by the Department of Health, Education and Welfare, this curriculum guide presents a career exploration program for junior high and middle school students. The program, presented in eighty-minute weekly sessions, is designed as an alternative activity in which students can elect to explore a wide…

The Hospitality and Recreation Cluster. Career Orientation Series.

ERIC Educational Resources Information Center

Ohio State Dept. of Education, Columbus. Div. of Vocational Education.

Developed to provide seventh and eighth grade students information about careers in the hospitality and recreation occupational cluster, this booklet may be used to integrate career information with various subject areas. (It is one of several student booklets developed for use in the Ohio Career Orientation Program at grades 7 and 8 to assist…

Automating a Massive Online Course with Cluster Computing

ERIC Educational Resources Information Center

Haas, Timothy C.

2016-01-01

Before massive numbers of students can take online courses for college credit, the challenges of providing tutoring support, answers to student-posed questions, and the control of cheating will need to be addressed. These challenges are taken up here by developing an online course delivery system that runs in a cluster computing environment and is…

An Experiment in Computer Ethics: Clustering Composition with Computer Applications.

ERIC Educational Resources Information Center

Nydahl, Joel

Babson College (a school of business and management in Wellesley, Massachusetts) attempted to make a group of first-year students computer literate through "clustering." The same group of students were enrolled in two courses: a special section of "Composition" which stressed word processing as a composition aid and a regular…

Expression patterns of WRKY genes in di-haploid Populus simonii × P. nigra in response to salinity stress revealed by quantitative real-time PCR and RNA sequencing.

PubMed

Wang, Shengji; Wang, Jiying; Yao, Wenjing; Zhou, Boru; Li, Renhua; Jiang, Tingbo

2014-10-01

Spatio-temporal expression patterns of 13 out of 119 poplar WRKY genes indicated dynamic and tissue-specific roles of WRKY family proteins in salinity stress tolerance. To understand the expression patterns of poplar WRKY genes under salinity stress, 51 of the 119 WRKY genes were selected from di-haploid Populus simonii × P. nigra by quantitative real-time PCR (qRT-PCR). We used qRT-PCR to profile the expression of the top 13 genes under salinity stress across seven time points, and employed RNA-Seq platforms to cross-validate it. Results demonstrated that all the 13 WRKY genes were expressed in root, stem, and leaf tissues, but their expression levels and overall patterns varied notably in these tissues. Regarding overall gene expression in roots, the 13 genes were significantly highly expressed at all six time points after the treatment, reaching the plateau of expression at hour 9. In leaves, the 13 genes were similarly up-regulated from 3 to 12 h in response to NaCl treatment. In stems, however, expression levels of the 13 genes did not show significant changes after the NaCl treatment. Regarding individual gene expression across the time points and the three tissues, the 13 genes can be classified into three clusters: the lowly expressed Cluster 1 containing PthWRKY28, 45 and 105; intermediately expressed Clusters 2 including PthWRKY56, 88 and 116; and highly expressed Cluster 3 consisting of PthWRKY41, 44, 51, 61, 62, 75 and 106. In general, genes in Cluster 2 and 3 displayed a dynamic pattern of "induced amplification-recovering", suggesting that these WRKY genes and corresponding pathways may play a critical role in mediating salt response and tolerance in a dynamic and tissue-specific manner.

Pharmacy students' attitudes towards physician-pharmacist collaboration: Intervention effect of integrating cooperative learning into an interprofessional team-based community service.

PubMed

Wang, Jun; Hu, Xiamin; Liu, Juan; Li, Lei

2016-09-01

The aim of this study was to evaluate the attitudes towards physician-pharmacist collaboration among pharmacy students in order to develop an interprofessional education (IPE) opportunity through integrating cooperative learning (CL) into a team-based student-supported community service event. The study also aimed to assess the change in students' attitudes towards interprofessional collaboration after participation in the event. A bilingual version of the Scale of Attitudes Toward Physician-Pharmacist Collaboration (SATP(2)C) in English and Chinese was completed by pharmacy students enrolled in Wuhan University of Science and Technology, China. Sixty-four students (32 pharmacy students and 32 medical students) in the third year of their degree volunteered to participate in the IPE opportunity for community-based diabetes and hypertension self-management education. We found the mean score of SATP(2)C among 235 Chinese pharmacy students was 51.44. Cronbach's alpha coefficient was 0.90. Our key finding was a significant increase in positive attitudes towards interprofessional collaboration after participation in the IPE activity. These data suggest that there is an opportunity to deliver IPE in Chinese pharmacy education. It appears that the integration of CL into an interprofessional team-based community service offers a useful approach for IPE.

Real Audiences and Contexts for LD Writers.

ERIC Educational Resources Information Center

Stires, Susan

1983-01-01

The process/conference model of writing instruction is described for intermediate-level learning disabled students. Students proceed through several stages of writing (rehearsal, drafting, revising, editing, and rewriting) during which they have conferences with the teacher and eventually publish their writing. (CL)

"To be or not to be Retained … That's the Question!" Retention, Self-esteem, Self-concept, Achievement Goals, and Grades.

PubMed

Peixoto, Francisco; Monteiro, Vera; Mata, Lourdes; Sanches, Cristina; Pipa, Joana; Almeida, Leandro S

2016-01-01

Keeping students back in the same grade - retention - has always been a controversial issue in Education, with some defending it as a beneficial remedial practice and others arguing against its detrimental effects. This paper undertakes an analysis of this issue, focusing on the differences in student motivation and self-related variables according to their retention related status, and the interrelationship between retention and these variables. The participants were 695 students selected from two cohorts (5th and 7th graders) of a larger group of students followed over a 3-year project. The students were assigned to four groups according to their retention-related status over time: (1) students with past and recent retention; (2) students with past but no recent retention; (3) students with no past but recent retention; (4) students with no past or recent retention. Measures of achievement goal orientations, self-concept, self-esteem, importance given to school subjects and Grade Point Average (GPA) were collected for all students. Repeated measures MANCOVA analyses were carried out showing group differences in self-esteem, academic self-concept, importance attributed to academic competencies, task and avoidance orientation and academic achievement. To attain a deeper understanding of these results and to identify profiles across variables, a cluster analysis based on achievement goals was conducted and four clusters were identified. Students who were retained at the end of the school year are mainly represented in clusters with less adaptive motivational profiles and almost absent from clusters exhibiting more adaptive ones. Findings highlight that retention leaves a significant mark that remains even when students recover academic achievement and retention is in the distant past. This is reflected in the low academic self-concept as well as in the devaluation of academic competencies and in the avoidance orientation which, taken together, can undermine students' academic adjustment and turn retention into a risk factor.

Phylogenetic structure of Leishmania tropica in the new endemic focus Birjand in East Iran in comparison to other Iranian endemic regions.

PubMed

Karamian, Mehdi; Kuhls, Katrin; Hemmati, Mina; Ghatee, Mohammad Amin

2016-06-01

Iran has been identified being among the countries with the highest number of cutaneous leishmaniasis (CL) cases. South Khorasan province in East Iran is an emerging focus of CL. Species identification of sixty clinical samples by ITS1 PCR-RFLP presented evidence for the dominance of Leishmania tropica (90%) in this region. Analysis of the ITS1 sequence of 19 L. tropica isolates revealed seven closely related sequence types. In addition, ITS1 sequences available in GenBank from other Iranian regions were compiled for comparison with the studied isolates. Iranian L. tropica was distributed in two main clusters. All East Iranian sequence types were grouped with strains from foci from Southeast and Central regions in cluster A, showing highly similar sequences. The highest similarity was observed between most L. tropica from East and all isolates from Southeast regions and from Savojbolagh county in Central Iran. Southwest L. tropica was shown to be paraphyletic as the isolates were distributed in both clusters A and B. All Northeastern L. tropica were part of cluster B, however they showed significant heterogeneity and were distributed in different subclusters. Distribution of L. tropica populations was to some extent congruent with genetic lineages of Phlebotomus sergenti in Iran and may be an evidence for parasite-vector co-evolution. Southeast-East L. tropica was also similar to strains from Herat province in Afghanistan at the East border of Iran. This is the first comprehensive study on population structure of L. tropica in Iran that provides a guideline for appropriate sampling for further molecular based epidemiological studies. Copyright © 2016 Elsevier B.V. All rights reserved.

Mobile clusters of single board computers: an option for providing resources to student projects and researchers.

PubMed

Baun, Christian

2016-01-01

Clusters usually consist of servers, workstations or personal computers as nodes. But especially for academic purposes like student projects or scientific projects, the cost for purchase and operation can be a challenge. Single board computers cannot compete with the performance or energy-efficiency of higher-value systems, but they are an option to build inexpensive cluster systems. Because of the compact design and modest energy consumption, it is possible to build clusters of single board computers in a way that they are mobile and can be easily transported by the users. This paper describes the construction of such a cluster, useful applications and the performance of the single nodes. Furthermore, the clusters' performance and energy-efficiency is analyzed by executing the High Performance Linpack benchmark with a different number of nodes and different proportion of the systems total main memory utilized.

Associations between multiple health risk behaviors and mental health among Chinese college students.

PubMed

Ye, Yong-ling; Wang, Pei-gang; Qu, Geng-cong; Yuan, Shuai; Phongsavan, Philayrath; He, Qi-qiang

2016-01-01

Although there is substantial evidence that health risk behaviors increase risks of premature morbidity and mortality, little is known about the multiple health risk behaviors in Chinese college students. Here, we investigated the prevalence of multiple health risk behaviors and its relation to mental health among Chinese college students. A cross-sectional study was conducted in Wuhan, China from May to June 2012. The students reported their health risk behaviors using self-administered questionnaires. Depression and anxiety were assessed using the self-rating depression scale and self-rating anxiety scale, respectively. A total of 2422 college students (1433 males) aged 19.7 ± 1.2 years were participated in the study. The prevalence of physical inactivity, sleep disturbance, poor dietary behavior, Internet addiction disorder (IAD), frequent alcohol use and current smoking was 62.0, 42.6, 29.8, 22.3, 11.6 and 9.3%, respectively. Significantly increased risks for depression and anxiety were found among students with frequent alcohol use, sleep disturbance, poor dietary behavior and IAD. Two-step cluster analysis identified two different clusters. Participants in the cluster with more unhealthy behaviors showed significantly increased risk for depression (odds ratio (OR): 2.21; 95% confidence interval (CI): 1.83, 2.67) and anxiety (OR: 2.32; 95% CI: 1.85, 2.92). This study indicates that a relatively high prevalence of multiple health risk behaviors was found among Chinese college students. Furthermore, the clustering of health risk behaviors was significantly associated with increased risks for depression and anxiety.

Global minimum-energy structure and spectroscopic properties of I2(*-) x n H2O clusters: a Monte Carlo simulated annealing study.

PubMed

Pathak, Arup Kumar; Mukherjee, Tulsi; Maity, Dilip Kumar

2010-01-18

The vibrational (IR and Raman) and photoelectron spectral properties of hydrated iodine-dimer radical-anion clusters, I(2)(*-) x n H(2)O (n=1-10), are presented. Several initial guess structures are considered for each size of cluster to locate the global minimum-energy structure by applying a Monte Carlo simulated annealing procedure including spin-orbit interaction. In the Raman spectrum, hydration reduces the intensity of the I-I stretching band but enhances the intensity of the O-H stretching band of water. Raman spectra of more highly hydrated clusters appear to be simpler than the corresponding IR spectra. Vibrational bands due to simultaneous stretching vibrations of O-H bonds in a cyclic water network are observed for I(2)(*-) x n H(2)O clusters with n > or = 3. The vertical detachment energy (VDE) profile shows stepwise saturation that indicates closing of the geometrical shell in the hydrated clusters on addition of every four water molecules. The calculated VDE of finite-size small hydrated clusters is extrapolated to evaluate the bulk VDE value of I(2)(*-) in aqueous solution as 7.6 eV at the CCSD(T) level of theory. Structure and spectroscopic properties of these hydrated clusters are compared with those of hydrated clusters of Cl(2)(*-) and Br(2)(*-).

A Measurement of Gravitational Lensing of the Cosmic Microwave Background by Galaxy Clusters Using Data from the South Pole Telescope

DOE PAGES

Baxter, E. J.; Keisler, R.; Dodelson, S.; ...

2015-06-22

Clusters of galaxies are expected to gravitationally lens the cosmic microwave background (CMB) and thereby generate a distinct signal in the CMB on arcminute scales. Measurements of this effect can be used to constrain the masses of galaxy clusters with CMB data alone. Here we present a measurement of lensing of the CMB by galaxy clusters using data from the South Pole Telescope (SPT). We also develop a maximum likelihood approach to extract the CMB cluster lensing signal and validate the method on mock data. We quantify the effects on our analysis of several potential sources of systematic error andmore » find that they generally act to reduce the best-fit cluster mass. It is estimated that this bias to lower cluster mass is roughly 0.85σ in units of the statistical error bar, although this estimate should be viewed as an upper limit. Furthermore, we apply our maximum likelihood technique to 513 clusters selected via their Sunyaev–Zeldovich (SZ) signatures in SPT data, and rule out the null hypothesis of no lensing at 3.1σ. The lensing-derived mass estimate for the full cluster sample is consistent with that inferred from the SZ flux: M 200,lens = 0.83 +0.38 -0.37 M 200,SZ (68% C.L., statistical error only).« less

First-principles thermodynamics study of phase stability in inorganic halide perovskite solid solutions

NASA Astrophysics Data System (ADS)

Bechtel, Jonathon S.; Van der Ven, Anton

2018-04-01

Halide substitution gives rise to a tunable band gap as a function of composition in halide perovskite materials. However, photoinduced phase segregation, observed at room temperature in mixed halide A Pb (IxBr1-x) 3 systems, limits open circuit voltages and decreases photovoltaic device efficiencies. We investigate equilibrium phase stability of orthorhombic P n m a γ -phase CsM (XxY1-x) 3 perovskites where M is Pb or Sn, and X and Y are Br, Cl, or I. Finite-temperature phase diagrams are constructed using a cluster expansion effective Hamiltonian parameterized from first-principles density-functional-theory calculations. Solid solution phases for CsM (IxBr1-x) 3 and CsM (BrxCl1-x) 3 are predicted to be stable well below room temperature while CsM (IxCl1-x) 3 systems have miscibility gaps that extend above 400 K. The height of the miscibility gap correlates with the difference in volume between end members. Also layered ground states are found on the convex hull at x =2 /3 for CsSnBr2Cl ,CsPbI2Br , and CsPbBrCl2. The impact of these ground states on the finite temperature phase diagram is discussed in the context of the experimentally observed photoinduced phase segregation.

Major signal suppression from metal ion clusters in SFC/ESI-MS - Cause and effects.

PubMed

Haglind, Alfred; Hedeland, Mikael; Arvidsson, Torbjörn; Pettersson, Curt E

2018-05-01

The widening application area of SFC-MS with polar analytes and water-containing samples facilitates the use of quick and simple sample preparation techniques such as "dilute and shoot" and protein precipitation. This has also introduced new polar interfering components such as alkali metal ions naturally abundant in e.g. blood plasma and urine, which have shown to be retained using screening conditions in SFC/ESI-TOF-MS and causing areas of major ion suppression. Analytes co-eluting with these clusters will have a decreased signal intensity, which might have a major effect on both quantification and identification. When investigating the composition of the alkali metal clusters using accurate mass and isotopic pattern, it could be concluded that they were previously not described in the literature. Using NaCl and KCl standards and different chromatographic conditions, varying e.g. column and modifier, the clusters proved to be formed from the alkali metal ions in combination with the alcohol modifier and make-up solvent. Their compositions were [(XOCH 3 ) n  + X] + , [(XOH) n  + X] + , [(X 2 CO 3 ) n  + X] + and [(XOOCOCH 3 ) n  + X] + for X = Na + or K + in ESI+. In ESI-, the clusters depended more on modifier, with [(XCl) n  + Cl] - and [(XOCH 3 ) n  + OCH 3 ] - mainly formed in pure methanol and [(XOOCH) n  + OOCH] - when 20 mM NH 4 Fa was added. To prevent the formation of the clusters by avoiding methanol as modifier might be difficult, as this is a widely used modifier providing good solubility when analyzing polar compounds in SFC. A sample preparation with e.g. LLE would remove the alkali ions, however also introducing a time consuming and discriminating step into the method. Since the alkali metal ions were retained and affected by chromatographic adjustments as e.g. mobile phase modifications, a way to avoid them could therefore be chromatographic tuning, when analyzing samples containing them. Copyright © 2018 Elsevier B.V. All rights reserved.

The SCUBA-2 cosmology legacy survey: Ultraluminous star-forming galaxies in a z = 1.6 cluster

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

Smail, Ian; Swinbank, A. M.; Danielson, A. L. R.

2014-02-10

We analyze new SCUBA-2 submillimeter and archival SPIRE far-infrared imaging of a z = 1.62 cluster, Cl 0218.3–0510, which lies in the UKIRT Infrared Deep Sky Survey/Ultra-Deep Survey field of the SCUBA-2 Cosmology Legacy Survey. Combining these tracers of obscured star-formation activity with the extensive photometric and spectroscopic information available for this field, we identify 31 far-infrared/submillimeter-detected probable cluster members with bolometric luminosities ≳10{sup 12} L {sub ☉} and show that by virtue of their dust content and activity, these represent some of the reddest and brightest galaxies in this structure. We exploit ALMA submillimeter continuum observations, which cover onemore » of these sources, to confirm the identification of a SCUBA-2-detected ultraluminous star-forming galaxy in this structure. Integrating the total star-formation activity in the central region of the structure, we estimate that it is an order of magnitude higher (in a mass-normalized sense) than clusters at z ∼ 0.5-1. However, we also find that the most active cluster members do not reside in the densest regions of the structure, which instead host a population of passive and massive, red galaxies. We suggest that while the passive and active populations have comparable near-infrared luminosities at z = 1.6, M{sub H} ∼ –23, the subsequent stronger fading of the more active galaxies means that they will evolve into passive systems at the present day that are less luminous than the descendants of those galaxies that were already passive at z ∼ 1.6 (M{sub H} ∼ –20.5 and M{sub H} ∼ –21.5, respectively, at z ∼ 0). We conclude that the massive galaxy population in the dense cores of present-day clusters were already in place at z = 1.6 and that in Cl 0218.3–0510 we are seeing continuing infall of less extreme, but still ultraluminous, star-forming galaxies onto a pre-existing structure.« less

Students' Metacognition and Cognitive Style and Their Effect on Cognitive Load and Learning Achievement

ERIC Educational Resources Information Center

López-Vargas, Omar; Ibáñez-Ibáñez, Jaime; Racines-Prada, Oswaldo

2017-01-01

The present research's objective is to examine the effects of metacognitive scaffolding and cognitive style in the Field Dependence-Independence (FDI) dimension on cognitive load (CL) and learning achievement (LA) in high school students, when they interact with a hypermedia environment on philosophy (logic). Fifty-four students belonging to two…

What if Reading is Easy but Unimportant? How Students' Patterns of Affirming and Undermining Motivation for Reading Information Texts Predict Different Reading Outcomes.

PubMed

Rosenzweig, Emily Q; Wigfield, Allan

2017-01-01

Many affirming and undermining motivational constructs affect students as they read information texts, but few researchers have explored how these motivations are patterned within students. In this study we used cluster analysis to classify middle school students (n = 1,134) based on their patterns of self-efficacy, perceived difficulty, value, and devalue for reading school information texts. We then compared how the patterns predicted students' language arts grades, science information text comprehension, and dedication to reading school information texts. We found and validated a four-cluster solution. One cluster included a pattern of high affirming and low undermining motivations, and another included low affirming and high undermining motivations. Students with these patterns earned the highest and lowest scores, respectively, on all outcomes. A third pattern showed high self-efficacy/low difficulty with low value/high devalue, and a fourth showed moderate levels of all four motivational constructs. Students with the high efficacy and devalue pattern showed high information text comprehension but relatively low dedication. Students with the moderate pattern showed high dedication but low initial information text comprehension. Students with these two patterns earned similar grades. We discuss the implications of our findings for motivation theories and for school instruction that involves information text reading.

Interaction of Corundum, Wollastonite and Quartz With H2O-NaCl Solutions at 800 C and 10 Kbar

NASA Astrophysics Data System (ADS)

Newton, R. C.; Manning, C. E.

2005-12-01

Aqueous fluids are potentially important transport agents in subduction zones and other high-P metamorphic environments. Recent studies indicate that at high P and T, the solubilities of major rock-forming elements are strongly enhanced by the formation of metal-chloride complexes, metal-hydroxide complexes and polynuclear metal-hydroxide clusters. However, the relative abundances of these species and the energetics of their interactions in high-pressure environments remains largely unknown. We measured the solubilities of corundum (Al2O3) and wollastonite (CaSiO3) at 800 °C and 10 kbar in H2O-NaCl solutions to halite saturation (XNaCl = 0.6) . Both minerals show marked enhancement of solubility with increasing salinity. Al2O3 mol fraction rises rapidly to XNaCl = 0.1, and then declines slowly towards halite saturation. Quenched experimental fluids have neutral pH. Modeling based on ideal solution of ions and molecules leads to a simple dissolution reaction and corresponding molality (m=mol/kg H2O) expression: Al2O3(cor) + Na+ + 3H2O = NaAl(OH)4 + Al(OH)2+ and mAl2O3 = [0.0232(aNaCl)1/4(aH2O)3/2+0.00123][1+2XNaCl/(1-XNaCl)] where H2O and NaCl activities are given by aH2O = (2-XNaCl)/(2+XNaCl) and aNaCl = 4(XNaCl)2/(1 + XNaCl)2. Wollastonite solubility in NaCl solutions is accurately described by: mCaSiO3 = 0.6734XNaCl + 0.1183(XNaCl)1/2 + 0.0204. There is a roughly 50-fold enhancement of dissolved wollastonite at halite saturation. Quenched experimental fluids are strongly basic (pH=11). A consistent dissolution reaction must therefore be similar to: CaSiO3(wo) + Na+ + Cl- = CaCl+ + OH- + HNaSiO3 Quartz solubility declines monotonically from mSiO2 = 1.248 in pure H2O to 0.20 at halite saturation. Quenched fluids are neutral, indicating that quartz does not react with solvent NaCl. The only salinity control on solubility is decrease of H2O activity. The simple dissolution behaviors to be deduced from measurements on these minerals suggest that fluid-rock interaction in deep-crust/upper mantle metamorphic processes may be generally understandable in terms of quasi-ideal mixing models.

Screening cluster A and cluster B personality disorders in Chinese high school students.

PubMed

Wang, Yuping; Zhu, Xiongzhao; Cai, Lin; Wang, Qin; Wang, Mengcheng; Yi, Jinyao; Yao, Shuqiao

2013-04-17

Personality disorders (PDs) during adolescence may, in addition to increasing risk for violent behaviors and suicide, also increase risk for elevated PD traits in adulthood. The aim of this study was to explore the prevalence of Cluster A and Cluster B PD traits and their relationships to demographic variables in Chinese high school students. A cohort of 3,552 students from eight high schools completed the Personality Diagnostic Questionnaire-4+ (PDQ-4+) and MacArthur Scale of Subjective Social Status-youth version (SSSy) questionnaires. Boys scored higher than girls on the paranoid, schizotypal, antisocial, and narcissistic PDs. Freshmen and sophomores scored higher than juniors on schizoid, borderline, and antisocial PDs. Children in single-child families scored higher than nonsingletons on the paranoid and antisocial PDs. Students from single-parent households scored higher than students from double-parent households on the schizotypal and antisocial PDs, and students with remarried parents scored higher than students from double-parent households on the borderline and antisocial PDs. Students who had low perception of social status in the society ladder scored higher than those with a high perceived status on the schizoid and borderline PDs, but scored lower on the histrionic PD; students with a low subjective social status in the school community ladder scored higher scores than those with a high perceived status on the paranoid, schizoid, borderline, and antisocial PDs, but scored lower on the histrionic PD. Gender, grade, family structure, and subjective social status may affect the development of PDs. Longitudinal studies and studies of the full scope of PDs are needed to fully elucidate the impact of demographic variables on PD prevalence rates in adolescence and adulthood.

Cognitive Evaluation Theory: The Effects of External Rewards on Intrinsic Motivation of Gifted Students.

ERIC Educational Resources Information Center

Rogers, Brenda T.

1985-01-01

E. Deci's cognitive evaluation theory, which suggests that external rewards undermine intrinsic interest in an activity, is applied to the decline of instrinsic motivation in gifted students. Implications for feedback, rewards, and teacher role are noted. (CL)

“To be or not to be Retained … That’s the Question!” Retention, Self-esteem, Self-concept, Achievement Goals, and Grades

PubMed Central

Peixoto, Francisco; Monteiro, Vera; Mata, Lourdes; Sanches, Cristina; Pipa, Joana; Almeida, Leandro S.

2016-01-01

Keeping students back in the same grade – retention – has always been a controversial issue in Education, with some defending it as a beneficial remedial practice and others arguing against its detrimental effects. This paper undertakes an analysis of this issue, focusing on the differences in student motivation and self-related variables according to their retention related status, and the interrelationship between retention and these variables. The participants were 695 students selected from two cohorts (5th and 7th graders) of a larger group of students followed over a 3-year project. The students were assigned to four groups according to their retention-related status over time: (1) students with past and recent retention; (2) students with past but no recent retention; (3) students with no past but recent retention; (4) students with no past or recent retention. Measures of achievement goal orientations, self-concept, self-esteem, importance given to school subjects and Grade Point Average (GPA) were collected for all students. Repeated measures MANCOVA analyses were carried out showing group differences in self-esteem, academic self-concept, importance attributed to academic competencies, task and avoidance orientation and academic achievement. To attain a deeper understanding of these results and to identify profiles across variables, a cluster analysis based on achievement goals was conducted and four clusters were identified. Students who were retained at the end of the school year are mainly represented in clusters with less adaptive motivational profiles and almost absent from clusters exhibiting more adaptive ones. Findings highlight that retention leaves a significant mark that remains even when students recover academic achievement and retention is in the distant past. This is reflected in the low academic self-concept as well as in the devaluation of academic competencies and in the avoidance orientation which, taken together, can undermine students’ academic adjustment and turn retention into a risk factor. PMID:27790167

Weaknesses in Lexical-Semantic Knowledge Among College Students With Specific Learning Disabilities: Evidence From a Semantic Fluency Task

PubMed Central

McGregor, Karla K.; Oleson, Jacob

2017-01-01

Purpose The purpose of this study is to determine whether deficits in executive function and lexical-semantic memory compromise the linguistic performance of young adults with specific learning disabilities (LD) enrolled in postsecondary studies. Method One hundred eighty-five students with LD (n = 53) or normal language development (ND, n = 132) named items in the categories animals and food for 1 minute for each category and completed tests of lexical-semantic knowledge and executive control of memory. Groups were compared on total names, mean cluster size, frequency of embedded clusters, frequency of cluster switches, and change in fluency over time. Secondary analyses of variability within the LD group were also conducted. Results The LD group was less fluent than the ND group. Within the LD group, lexical-semantic knowledge predicted semantic fluency and cluster size; executive control of memory predicted semantic fluency and cluster switches. The LD group produced smaller clusters and fewer embedded clusters than the ND group. Groups did not differ in switching or change over time. Conclusions Deficits in the lexical-semantic system associated with LD may persist into young adulthood, even among those who have managed their disability well enough to attend college. Lexical-semantic deficits are associated with compromised semantic fluency, and the two problems are more likely among students with more severe disabilities. PMID:28267833

Weaknesses in Lexical-Semantic Knowledge Among College Students With Specific Learning Disabilities: Evidence From a Semantic Fluency Task.

PubMed

Hall, Jessica; McGregor, Karla K; Oleson, Jacob

2017-03-01

The purpose of this study is to determine whether deficits in executive function and lexical-semantic memory compromise the linguistic performance of young adults with specific learning disabilities (LD) enrolled in postsecondary studies. One hundred eighty-five students with LD (n = 53) or normal language development (ND, n = 132) named items in the categories animals and food for 1 minute for each category and completed tests of lexical-semantic knowledge and executive control of memory. Groups were compared on total names, mean cluster size, frequency of embedded clusters, frequency of cluster switches, and change in fluency over time. Secondary analyses of variability within the LD group were also conducted. The LD group was less fluent than the ND group. Within the LD group, lexical-semantic knowledge predicted semantic fluency and cluster size; executive control of memory predicted semantic fluency and cluster switches. The LD group produced smaller clusters and fewer embedded clusters than the ND group. Groups did not differ in switching or change over time. Deficits in the lexical-semantic system associated with LD may persist into young adulthood, even among those who have managed their disability well enough to attend college. Lexical-semantic deficits are associated with compromised semantic fluency, and the two problems are more likely among students with more severe disabilities.

Controlled clustering of carboxylated SPIONs through polyethylenimine

NASA Astrophysics Data System (ADS)

Nesztor, Dániel; Bali, Krisztina; Tóth, Ildikó Y.; Szekeres, Márta; Tombácz, Etelka

2015-04-01

Clusters of magnetite nanoparticles (MNPs) were synthesized using poly(acrylic acid-co-maleic acid) coated MNPs (PAM@MNP) and branched polyethylenimine (PEI). Materials were characterized by potentiometric titration, zeta potential and dynamic light scattering (DLS) measurements. PEI and PAM@MNP are oppositely charged as characterized by zeta potential measurements (+8, -34 mV respectively) and titration (10.30 mmol -NH3+/g PEI; 0.175 mmol -COO-/g PAM@MNP) at pH 6.5±0.2; therefore magnetic clusters are formed by electrostatic adhesion. Two different preparation methods and the effect of PEI and electrolyte (NaCl) concentration on the cluster formation was studied. Choosing an optimal concentration of PEI (charge ratio of PEI to PAM@MNP: 0.17) and electrolyte (10 mM), a concentrated (10 g MNP/L) product containing PEI-PAM@MNP nanoclusters with size of 165±10 nm was prepared. Its specific absorption rate (SAR) measured in AC magnetic field (110 kHz, 25 mT) is 12 W/g Fe. The clustered product is expected to have enhanced contrast efficiency in MRI.

Magnetic separation of Dy(III) ions from homogeneous aqueous solutions

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

Pulko, B., E-mail: Barbara.Pulko@tu-dresden.de; Yang, X.; Lei, Z.

2014-12-08

The possibility to enrich paramagnetic dysprosium(III) ions in a magnetic field gradient is proved by means of interferometry, which may open the route for a magnetic separation of rare earth ions from aqueous solutions. The separation dynamics are studied for three different concentrations of DyCl{sub 3} and compared with those found recently in a sulphate solution of the 3d ion Mn(II). In view of the similar-sized hydration spheres for Dy(III) and Mn(II), the slower separation dynamics in DyCl{sub 3} is attributed to both a higher densification coefficient and the strong impact of Brownian motion due to the absence of ion-pairmore » clusters.« less

A model SN2 reaction ‘on water’ does not show rate enhancement

NASA Astrophysics Data System (ADS)

Nelson, Katherine V.; Benjamin, Ilan

2011-05-01

Molecular dynamics calculations of the benchmark nucleophilic substitution reaction (SN2) Cl- + CH3Cl are carried out at the water liquid/vapor interface. The reaction free energy profile and the activation free energy are determined as a function of the reactants' location normal to the surface. The activation free energy remains almost constant relative to that in bulk water, despite the fact that the barrier is expected to significantly decrease as the reaction is carried out near the vapor phase. We show that this is due to the combined effects of a clustering of water molecules around the nucleophile and a relatively weak hydration of the transition state.

CAMPAIGN: an open-source library of GPU-accelerated data clustering algorithms.

PubMed

Kohlhoff, Kai J; Sosnick, Marc H; Hsu, William T; Pande, Vijay S; Altman, Russ B

2011-08-15

Data clustering techniques are an essential component of a good data analysis toolbox. Many current bioinformatics applications are inherently compute-intense and work with very large datasets. Sequential algorithms are inadequate for providing the necessary performance. For this reason, we have created Clustering Algorithms for Massively Parallel Architectures, Including GPU Nodes (CAMPAIGN), a central resource for data clustering algorithms and tools that are implemented specifically for execution on massively parallel processing architectures. CAMPAIGN is a library of data clustering algorithms and tools, written in 'C for CUDA' for Nvidia GPUs. The library provides up to two orders of magnitude speed-up over respective CPU-based clustering algorithms and is intended as an open-source resource. New modules from the community will be accepted into the library and the layout of it is such that it can easily be extended to promising future platforms such as OpenCL. Releases of the CAMPAIGN library are freely available for download under the LGPL from https://simtk.org/home/campaign. Source code can also be obtained through anonymous subversion access as described on https://simtk.org/scm/?group_id=453. kjk33@cantab.net.

A Pilot Study of the Effectiveness of Augmented Reality to Enhance the Use of Remote Labs in Electrical Engineering Education

NASA Astrophysics Data System (ADS)

Mejías Borrero, A.; Andújar Márquez, J. M.

2012-10-01

Lab practices are an essential part of teaching in Engineering. However, traditional laboratory lessons developed in classroom labs (CL) must be adapted to teaching and learning strategies that go far beyond the common concept of e-learning, in the sense that completely virtualized distance education disconnects teachers and students from the real world, which can generate specific problems in laboratory classes. Current proposals of virtual labs (VL) and remote labs (RL) do not either cover new needs properly or contribute remarkable improvement to traditional labs—except that they favor distance training. Therefore, online teaching and learning in lab practices demand a further step beyond current VL and RL. This paper poses a new reality and new teaching/learning concepts in the field of lab practices in engineering. The developed augmented reality-based lab system (augmented remote lab, ARL) enables teachers and students to work remotely (Internet/intranet) in current CL, including virtual elements which interact with real ones. An educational experience was conducted to assess the developed ARL with the participation of a group of 10 teachers and another group of 20 students. Both groups have completed lab practices of the contents in the subjects Digital Systems and Robotics and Industrial Automation, which belong to the second year of the new degree in Electronic Engineering (adapted to the European Space for Higher Education). The labs were carried out by means of three different possibilities: CL, VL and ARL. After completion, both groups were asked to fill in some questionnaires aimed at measuring the improvement contributed by ARL relative to CL and VL. Except in some specific questions, the opinion of teachers and students was rather similar and positive regarding the use and possibilities of ARL. Although the results are still preliminary and need further study, seems to conclude that ARL remarkably improves the possibilities of current VL and RL. Furthermore, ARL can be concluded to allow further possibilities when used online than traditional laboratory lessons completed in CL.

Career Decision Statuses among Portuguese Secondary School Students: A Cluster Analytical Approach

ERIC Educational Resources Information Center

Santos, Paulo Jorge; Ferreira, Joaquim Armando

2012-01-01

Career indecision is a complex phenomenon and an increasing number of authors have proposed that undecided individuals do not form a group with homogeneous characteristics. This study examines career decision statuses among a sample of 362 12th-grade Portuguese students. A cluster-analytical procedure, based on a battery of instruments designed to…

Cluster Analysis of Junior High School Students' Cognitive Structures

ERIC Educational Resources Information Center

Dan, Youngjun; Geng, Leisha; Li, Meng

2017-01-01

This study aimed to explore students' cognitive patterns based on their knowledge and levels. Participants were seventh graders from a junior high school in China. Three relatively distinct groups were specified by Cluster Analysis: high knowledge and low ability, low knowledge and low ability, and high knowledge and high ability. The group of low…

Module Cluster: TTP-001.00 (GSC) Reinforcement Principles for Classroom Use.

ERIC Educational Resources Information Center

Brent, George

The purpose of this module cluster is to enable students to define the basic operant terms, to state the basic operant principles, to read operant measurement charts, and to use operant principles in elementary classrooms with both social and academic behaviors. It is intended for use by teacher education students with the cooperation of an…

The Schoolwide Cluster Grouping Model: Restructuring Gifted Education Services for the 21st Century

ERIC Educational Resources Information Center

Brulles, Dina; Winebrenner, Susan

2011-01-01

Schools today are experiencing dramatic changes in how they serve gifted students. Gifted programs that have prevailed for years are disappearing. In response, an increasing number of schools are turning to the Schoolwide Cluster Grouping Model (SCGM) to serve their gifted students. When implemented well, the SCGM represents one viable solution…

Maryland Career Clusters: Restructuring Learning for Student Achievement in a Technologically Advanced, Global Society. Second Edition

ERIC Educational Resources Information Center

Maryland State Department of Education, 2006

2006-01-01

Maryland Career Clusters are a resource for high schools as they reorganize into smaller learning communities. Instruction is organized around career themes, providing more students the opportunity to explore career choices while still in high school and enroll in pathway programs that enable them to successfully transition from high school to…

Integrating IS Curriculum Knowledge through a Cluster-Computing Project--A Successful Experiment

ERIC Educational Resources Information Center

Kitchens, Fred L.; Sharma, Sushil K.; Harris, Thomas

2004-01-01

MIS curricula in business schools are challenged to provide MIS courses that give students a strong practical understanding of the basic technologies, while also providing enough hands-on experience to solve real life problems. As an experimental capstone MIS course, the authors developed a cluster-computing project to expose business students to…

Motivational Pathways to Leisure-Time Physical Activity Participation in Urban Physical Education: A Cluster-Randomized Trial

ERIC Educational Resources Information Center

Yli-Piipari, Sami; Layne, Todd; Hinson, Janet; Irwin, Carol

2018-01-01

Purpose: Grounded in the trans-contextual model of motivation framework, this cluster-randomized trial examined the effectiveness of an autonomy supportive physical education (PE) instruction on student motivation and physical activity (PA). Method: The study comprised six middle schools and 408 students (M[subscript age] = 12.29), with primary…

Factors Affecting Career Decision Making of Mexican and Mexican-American Students.

ERIC Educational Resources Information Center

Newlon, Betty J.; Borboa, Roman

The purpose of this research was to identify the self-reported factors affecting the career decision making of Mexican and Mexican-American students. It was hypothesized that the factor clusters would differ between the two sample populations, Mexican and Mexican-American. It was also hypothesized that these clusters would differ from six clusters…

T & I--Gas Welding. Kit No. 68. Instructor's Manual [and] Student Learning Activity Guide.

ERIC Educational Resources Information Center

Lanford, Frank

An instructor's manual and student activity guide on gas welding are provided in this set of prevocational education materials which focuses on the occupational cluster of trade and industry. (This set of materials is one of ninety-two prevocational education sets arranged around a cluster of seven vocational offerings: agriculture, home…

2 x 2 Achievement Goals and Achievement Emotions: A Cluster Analysis of Students' Motivation

ERIC Educational Resources Information Center

Jang, Leong Yeok; Liu, Woon Chia

2012-01-01

This study sought to better understand the adoption of multiple achievement goals at an intra-individual level, and its links to emotional well-being, learning, and academic achievement. Participants were 480 Secondary Two students (aged between 13 and 14 years) from two coeducational government schools. Hierarchical cluster analysis revealed the…

Investigations of the Rg-BrCl (Rg=He, Ne, Ar, Kr, Xe) binary van der Waals complexes: ab initio intermolecular potential energy surfaces, vibrational states and predicted pure rotational transition frequencies.

PubMed

Li, Song; Zheng, Rui; Chen, Shan-Jun; Chen, Yan; Chen, Peng

2017-03-05

The intermolecular potential energy surfaces (PESs) of the ground electronic state for the Rg-BrCl (Rg=He, Ne, Ar, Kr, Xe) van der Waals complexes have been constructed by using the coupled-cluster method in combination with the augmented quadruple-zeta correlation-consistent basis sets supplemented with an additional set of bond functions. The features of the anisotropic PESs for these complexes are remarkably similar, which are characterized by three minima and two saddle points between them. The global minimum corresponds to a collinear Rg-Br-Cl configuration. Two local minima, correlate with an anti-linear Rg-Cl-Br geometry and a nearly T-shaped structure, can also be located on each PES. The quantum bound state calculations enable us to investigate intermolecular vibrational states and rotational energy levels of the complexes. The transition frequencies are predicted and are fitted to obtain their corresponding spectroscopic constants. In general, the periodic trends are observed for this complex family. Comparisons with available experimental data for the collinear isomer of Ar-BrCl demonstrate reliability of our theoretical predictions, and our results for the other two isomers of Ar-BrCl as well as for other members of the complex family are also anticipated to be trustable. Except for the collinear isomer of Ar-BrCl, the data presented in this paper would be beneficial to improve our knowledge for these experimentally unknown species. Copyright © 2016 Elsevier B.V. All rights reserved.

Exploring Different Patterns of Love Attitudes among Chinese College Students.

PubMed

Zeng, Xianglong; Pan, Yiqin; Zhou, Han; Yu, Shi; Liu, Xiangping

2016-01-01

Individual differences in love attitudes and the relationship between love attitudes and other variables in Asian culture lack in-depth exploration. This study conducted cluster analysis with data regarding love attitudes obtained from 389 college students in mainland China. The result of cluster analysis based on love-attitude scales distinguished four types of students: game players, rational lovers, emotional lovers, and absence lovers. These four groups of students showed significant differences in sexual attitudes and personality traits of deliberation and dutifulness but not self-discipline. The study's implications for future studies on love attitudes in certain cultural groups were also discussed.

Water-Soluble Phosphine-Protected Au₁₁ Clusters: Synthesis, Electronic Structure, and Chiral Phase Transfer in a Synergistic Fashion.

PubMed

Yao, Hiroshi; Iwatsu, Mana

2016-04-05

Synthesis of atomically precise, water-soluble phosphine-protected gold clusters is still currently limited probably due to a stability issue. We here present the synthesis, magic-number isolation, and exploration of the electronic structures as well as the asymmetric conversion of triphenylphosphine monosulfonate (TPPS)-protected gold clusters. Electrospray ionization mass spectrometry and elemental analysis result in the primary formation of Au11(TPPS)9Cl undecagold cluster compound. Magnetic circular dichroism (MCD) spectroscopy clarifies that extremely weak transitions are present in the low-energy region unresolved in the UV-vis absorption, which can be due to the Faraday B-terms based on the magnetically allowed transitions in the cluster. Asymmetric conversion without changing the nuclearity is remarkable by the chiral phase transfer in a synergistic fashion, which yields a rather small anisotropy factor (g-factor) of at most (2.5-7.0) × 10(-5). Quantum chemical calculations for model undecagold cluster compounds are then used to evaluate the optical and chiroptical responses induced by the chiral phase transfer. On this basis, we find that the Au core distortion is ignorable, and the chiral ion-pairing causes a slight increase in the CD response of the Au11 cluster.

Solvent induced temperature dependencies of NMR parameters of hydrogen bonded anionic clusters

NASA Astrophysics Data System (ADS)

Golubev, Nikolai S.; Shenderovich, Ilja G.; Tolstoy, Peter M.; Shchepkin, Dmitry N.

2004-07-01

The solvent induced temperature dependence of NMR parameters (proton and fluorine chemical shifts, the two-bond scalar spin coupling constant across the hydrogen bridge, 2hJFF) for dihydrogen trifluoride anion, (FH) 2F -, in a polar aprotic solvent, CDF 3/CDF 2Cl, is reported and discussed. The results are interpreted in terms of a simple electrostatic model, accounting a decrease of electrostatic repulsion of two negatively charged fluorine atoms on placing into a dielectric medium. The conclusion is drawn that polar medium causes some contraction of hydrogen bonds in ionic clusters combined with a decrease of hydrogen bond asymmetry.

Dark matter phenomenology of high-speed galaxy cluster collisions

DOE PAGES

Mishchenko, Yuriy; Ji, Chueng-Ryong

2017-07-29

Here, we perform a general computational analysis of possible post-collision mass distributions in high-speed galaxy cluster collisions in the presence of self-interacting dark matter. Using this analysis, we show that astrophysically weakly self-interacting dark matter can impart subtle yet measurable features in the mass distributions of colliding galaxy clusters even without significant disruptions to the dark matter halos of the colliding galaxy clusters themselves. Most profound such evidence is found to reside in the tails of dark matter halos’ distributions, in the space between the colliding galaxy clusters. Such features appear in our simulations as shells of scattered dark mattermore » expanding in alignment with the outgoing original galaxy clusters, contributing significant densities to projected mass distributions at large distances from collision centers and large scattering angles of up to 90°. Our simulations indicate that as much as 20% of the total collision’s mass may be deposited into such structures without noticeable disruptions to the main galaxy clusters. Such structures at large scattering angles are forbidden in purely gravitational high-speed galaxy cluster collisions.Convincing identification of such structures in real colliding galaxy clusters would be a clear indication of the self-interacting nature of dark matter. Our findings may offer an explanation for the ring-like dark matter feature recently identified in the long-range reconstructions of the mass distribution of the colliding galaxy cluster CL0024+017.« less

Dark matter phenomenology of high-speed galaxy cluster collisions

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

Mishchenko, Yuriy; Ji, Chueng-Ryong

Here, we perform a general computational analysis of possible post-collision mass distributions in high-speed galaxy cluster collisions in the presence of self-interacting dark matter. Using this analysis, we show that astrophysically weakly self-interacting dark matter can impart subtle yet measurable features in the mass distributions of colliding galaxy clusters even without significant disruptions to the dark matter halos of the colliding galaxy clusters themselves. Most profound such evidence is found to reside in the tails of dark matter halos’ distributions, in the space between the colliding galaxy clusters. Such features appear in our simulations as shells of scattered dark mattermore » expanding in alignment with the outgoing original galaxy clusters, contributing significant densities to projected mass distributions at large distances from collision centers and large scattering angles of up to 90°. Our simulations indicate that as much as 20% of the total collision’s mass may be deposited into such structures without noticeable disruptions to the main galaxy clusters. Such structures at large scattering angles are forbidden in purely gravitational high-speed galaxy cluster collisions.Convincing identification of such structures in real colliding galaxy clusters would be a clear indication of the self-interacting nature of dark matter. Our findings may offer an explanation for the ring-like dark matter feature recently identified in the long-range reconstructions of the mass distribution of the colliding galaxy cluster CL0024+017.« less

Evolution of Defect Structures and Deep Subgap States during Annealing of Amorphous In-Ga-Zn Oxide for Thin-Film Transistors

NASA Astrophysics Data System (ADS)

Jia, Junjun; Suko, Ayaka; Shigesato, Yuzo; Okajima, Toshihiro; Inoue, Keiko; Hosomi, Hiroyuki

2018-01-01

We investigate the evolution behavior of defect structures and the subgap states in In-Ga-Zn oxide (IGZO) films with increasing postannealing temperature by means of extended x-ray absorption fine-structure (EXAFS) measurements, positron annihilation lifetime spectroscopy (PALS), and cathodoluminescence (CL) spectroscopy, aiming to understand the relationship between defect structures and subgap states. EXAFS measurements reveal the varied oxygen coordination numbers around cations during postannealing and confirm two types of point defects, namely, excess oxygen around Ga atoms and oxygen deficiency around In and/or Zn atoms. PALS suggests the existence of cation-vacancy (VM )-related clusters with neutral or negative charge in both amorphous and polycrystalline IGZO films. CL spectra show a main emission band at approximately 1.85 eV for IGZO films, and a distinct shoulder located at about 2.15 eV for IGZO films postannealed above 600 °C . These two emission bands are assigned to a recombination between the electrons in the conduction band and/or in the shallow donor levels near the conduction band and the acceptors trapped above the valence-band maximum. The shallow donors are attributed to the oxygen deficiency, and the acceptors are thought to possibly arise from the excess oxygen or the VM-related clusters. These results open up an alternative route for understanding the device instability of amorphous IGZO-based thin-film transistors, especially the presence of the neutral or negatively charged VM-related clusters in amorphous IGZO films.

Presence of Li clusters in molten LiCl-Li

DOE PAGES

Merwin, Augustus; Phillips, William C.; Williamson, Mark A.; ...

2016-05-05

Molten mixtures of lithium chloride and metallic lithium are of significant interest in various metal oxide reduction processes. These solutions have been reported to exhibit seemingly anomalous physical characteristics that lack a comprehensive explanation. ln the current work, the physical chemistry of molten solutions of lithium chloride and metallic lithium, with and without lithium oxide, was investigated using in situ Raman spectroscopy. The Raman spectra obtained from these solutions were in agreement with the previously reported spectrum of the lithium cluster, Li 8. Furthermore, this observation is indicative of a nanofluid type colloidal suspension of Li 8, in a moltenmore » salt matrix. It is suggested that the formation and suspension of lithium clusters in lithium chloride is the cause of various phenomena exhibited by these solutions that were previously unexplainable.« less

The Africa Yoga Project and Well-Being: A Concept Map of Students' Perceptions.

PubMed

Giambrone, Carla A; Cook-Cottone, Catherine P; Klein, Jessalyn E

2018-03-01

Concept mapping methodology was used to explore the perceived impact of practicing yoga with the Africa Yoga Project (AYP)-an organisation created to increase health and well-being by providing community-based yoga classes throughout Kenya. AYP's mission fit with theoretical models of well-being is discussed. Anecdotal evidence and initial qualitative research suggested the AYP meaningfully impacted adult students. Of the hundreds of AYP's adult students, 56 and 82 students participated in Phases I and II, respectively. Phase I brainstorming resulted in 94 student-generated statements about their perceived change. Phase II participants sorted and rated statements in terms of importance. Multidimensional scaling and hierarchical cluster analysis of sort data was utilised to map and group statements into clusters. Based on statistical and interpretive criteria, a five-cluster solution with the following concepts was identified as the best model of students' change: Personal Growth; Interpersonal Effectiveness (lowest importance); Physical and Social Benefits; Emotional Resiliency; and Improved Self-Concept (highest importance). Overall, students reported positive perceptions of the AYP. Additional research is needed to quantify students' change, and to compare the AYP outcomes to those of other programs aimed at poverty-related stress reduction and well-being. © 2018 The International Association of Applied Psychology.

Constraining neutrino properties with a Euclid-like galaxy cluster survey

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

Cerbolini, M. Costanzi Alunno; Sartoris, B.; Borgani, S.

2013-06-01

We perform a forecast analysis on how well a Euclid-like photometric galaxy cluster survey will constrain the total neutrino mass and effective number of neutrino species. We base our analysis on the Monte Carlo Markov Chains technique by combining information from cluster number counts and cluster power spectrum. We find that combining cluster data with Cosmic Microwave Background (CMB) measurements from Planck improves by more than an order of magnitude the constraint on neutrino masses compared to each probe used independently. For the ΛCDM+m{sub ν} model the 2σ upper limit on total neutrino mass shifts from Σm{sub ν} < 0.35more » eV using cluster data alone to Σm{sub ν} < 0.031 eV when combined with Planck data. When a non-standard scenario with N{sub eff}≠3.046 number of neutrino species is considered, we estimate an upper limit of N{sub eff} < 3.14 (95%CL), while the bounds on neutrino mass are relaxed to Σm{sub ν} < 0.040 eV. This accuracy would be sufficient for a 2σ detection of neutrino mass even in the minimal normal hierarchy scenario (Σm{sub ν} ≅ 0.05 eV). In addition to the extended ΛCDM+m{sub ν}+N{sub eff} model we also consider scenarios with a constant dark energy equation of state and a non-vanishing curvature. When these models are considered the error on Σm{sub ν} is only slightly affected, while there is a larger impact of the order of ∼ 15% and ∼ 20% respectively on the 2σ error bar of N{sub eff} with respect to the standard case. To assess the effect of an uncertain knowledge of the relation between cluster mass and optical richness, we also treat the ΛCDM+m{sub ν}+N{sub eff} case with free nuisance parameters, which parameterize the uncertainties on the cluster mass determination. Adopting the over-conservative assumption of no prior knowledge on the nuisance parameter the loss of information from cluster number counts leads to a large degradation of neutrino constraints. In particular, the upper bounds for Σm{sub ν} are relaxed by a factor larger than two, Σm{sub ν} < 0.083 eV (95%CL), hence compromising the possibility of detecting the total neutrino mass with good significance. We thus confirm the potential that a large optical/near-IR cluster survey, like that to be carried out by Euclid, could have in constraining neutrino properties, and we stress the importance of a robust measurement of masses, e.g. from weak lensing within the Euclid survey, in order to full exploit the cosmological information carried by such survey.« less

The Effects of Mind Mapping with Cooperative Learning on Programming Performance, Problem Solving Skill and Metacognitive Knowledge among Computer Science Students

ERIC Educational Resources Information Center

Ismail, Mohd Nasir; Ngah, Nor Azilah; Umar, Irfan Naufal

2010-01-01

The purpose of the study is to investigate the effects of mind mapping with cooperative learning (MMCL) and cooperative learning (CL) on: (a) programming performance; (b) problem solving skill; and (c) metacognitive knowledge among computer science students in Malaysia. The moderating variable is the students' logical thinking level with two…

Student Perceptions in the Design of a Computer Card Game for Learning Computer Literacy Issues: A Case Study

ERIC Educational Resources Information Center

Kordaki, Maria; Papastergiou, Marina; Psomos, Panagiotis

2016-01-01

The aim of this work was twofold. First, an empirical study was designed aimed at investigating the perceptions that entry-level non-computing majors--namely Physical Education and Sport Science (PESS) undergraduate students--hold about basic Computer Literacy (CL) issues. The participants were 90 first-year PESS students, and their perceptions…

Competitive Team-Based Learning versus Group Investigation with Reference to the Language Proficiency of Iranian EFL Intermediate Students

ERIC Educational Resources Information Center

Hosseini, Seyed Mohammad Hassan

2014-01-01

This paper is a report on an experimental study which intended to look into the possible effects of Competitive Team-Based Learning (CTBL) vis-à-vis Group Investigation (GI) method of Cooperative Learning (CL) on the language proficiency of Iranian EFL intermediate students. Seventy homogeneous Iranian intermediate students were selected out of a…

Variations in students' perceived reasons for, sources of, and forms of in-school discrimination: A latent class analysis.

PubMed

Byrd, Christy M; Carter Andrews, Dorinda J

2016-08-01

Although there exists a healthy body of literature related to discrimination in schools, this research has primarily focused on racial or ethnic discrimination as perceived and experienced by students of color. Few studies examine students' perceptions of discrimination from a variety of sources, such as adults and peers, their descriptions of the discrimination, or the frequency of discrimination in the learning environment. Middle and high school students in a Midwestern school district (N=1468) completed surveys identifying whether they experienced discrimination from seven sources (e.g., peers, teachers, administrators), for seven reasons (e.g., gender, race/ethnicity, religion), and in eight forms (e.g., punished more frequently, called names, excluded from social groups). The sample was 52% White, 15% Black/African American, 14% Multiracial, and 17% Other. Latent class analysis was used to cluster individuals based on reported sources of, reasons for, and forms of discrimination. Four clusters were found, and ANOVAs were used to test for differences between clusters on perceptions of school climate, relationships with teachers, perceptions that the school was a "good school," and engagement. The Low Discrimination cluster experienced the best outcomes, whereas an intersectional cluster experienced the most discrimination and the worst outcomes. The results confirm existing research on the negative effects of discrimination. Additionally, the paper adds to the literature by highlighting the importance of an intersectional approach to examining students' perceptions of in-school discrimination. Copyright © 2016 Society for the Study of School Psychology. Published by Elsevier Ltd. All rights reserved.

Learner Typologies Development Using OIndex and Data Mining Based Clustering Techniques

ERIC Educational Resources Information Center

Luan, Jing

2004-01-01

This explorative data mining project used distance based clustering algorithm to study 3 indicators, called OIndex, of student behavioral data and stabilized at a 6-cluster scenario following an exhaustive explorative study of 4, 5, and 6 cluster scenarios produced by K-Means and TwoStep algorithms. Using principles in data mining, the study…

Data Mining of University Philanthropic Giving: Cluster-Discriminant Analysis and Pareto Effects

ERIC Educational Resources Information Center

Le Blanc, Louis A.; Rucks, Conway T.

2009-01-01

A large sample of 33,000 university alumni records were cluster-analyzed to generate six groups relatively unique in their respective attribute values. The attributes used to cluster the former students included average gift to the university's foundation and to the alumni association for the same institution. Cluster detection is useful in this…

An exploratory study on cultural variations in oral health attitudes, behaviour and values of freshman (first-year) dental students.

PubMed

Kawamura, M; Wright, F A C; Declerck, D; Freire, M C M; Hu, D Y; Honkala, E; Lévy, G; Kalwitzki, M; Polychronopoulou, A; Yip, H K; Kinirons, M J; Eli, I; Petti, S; Komabayashi, T; Kim, K J; Razak, A A A; Srisilapanan, P; Kwan, S Y L

2005-08-01

To identify similarities and differences in oral health attitudes, behaviour and values among freshman dental students. Cross-cultural survey of dental students. 18 cultural areas. 904 first-year dental students completed the Hiroshima University-Dental Behavioural Inventory (HU-DBI) translated into their own languages. Individual areas were clustered by similarity in responses to the questions. The first group displayed an 'occidental-culture orientation' with the exception of Brazil (Cluster 1 comprised: Australia, United Kingdom, Ireland, Belgium and Brazil, Cluster 2: Germany, Italy, Finland and France). The second group displayed an 'oriental-cultural orientation' with the exception of Greece and Israel (Cluster 3 comprised: China and Indonesia, and Cluster 4: Japan, Korea, Israel, Hong Kong, Malaysia, Thailand and Greece). Australia and United Kingdom were the countries that were most alike. Ireland was the 'neighbour' to these countries. Greece and Malaysia had similar patterns of oral health behaviour although geographic conditions are very different. Although it was considered that in Hong Kong, occidental nations have affected the development of education, it remained in the oriental-culture group. Comparison with the data from the occidentals indicates that a higher percentage of the orientals put off going to the dentist until they have toothache (p < 0.001). Only a small proportion of the occidentals (8%) reported a perception of inevitability in having false teeth, whereas 33% of the orientals held this fatalistic belief (p = 0.001). Grouping the countries into key cultural orientations and international clusters yielded plausible results, using the HU-DBI.

Cluster Interest Inventory.

ERIC Educational Resources Information Center

Herzog, Douglas

The Cluster Interest Inventory is designed to familiarize students with representative occupations in 13 career clusters: (1) agribusiness and natural resources, (2) business marketing, and office occupations, (3) communications and media, (4) consumer and homemaker, (5) fine arts and humanities, (6) health, (7) manufacturing and processing, (8)…

Marketing Occupations. Cluster Guide.

ERIC Educational Resources Information Center

Oregon State Dept. of Education, Salem.

This cluster guide, which is designed to show teachers what specific knowledge and skills qualify high school students for entry-level employment (or postsecondary training) in marketing occupations, is organized into three sections: (1) cluster organization and implementation, (2) instructional emphasis areas, and (3) assessment. The first…

Application of a Self-Similar Pressure Profile to Sunyaev-Zeldovich Effect Data from Galaxy Clusters

NASA Technical Reports Server (NTRS)

Mroczkowski, Tony; Bonamente, Max; Carlstrom, John E.; Culverhouse, Thomas L.; Greer, Christopher; Hawkins, David; Hennessy, Ryan; Joy, Marshall; Lamb, James W.; Leitch, Erik M.;

Adolescents' physical activity in physical education, school recess, and extra-curricular sport by motivational profiles.

PubMed

Mayorga-Vega, Daniel; Viciana, Jesús

2014-06-01

The main purpose of this study was to evaluate the differences in adolescents´ objective physical activity levels and perceived effort in physical education, school recess, and extra-curricular organized sport by motivational profiles in physical education. A sample of 102 students 11-16 yr. old completed a self-report questionnaire assessing self-determined motivation toward physical education. Subsequently, students' objective physical activity levels (steps/min., METs, and moderate-to-vigorous physical activity) and perceived effort were evaluated for each situation. Cluster analysis identified a two-cluster structure: "Moderate motivation toward physical education profile" and "High motivation toward physical education profile." Adolescents in the second cluster had higher physical activity and perceived effort values than adolescents in the first cluster, except for METs and moderate-to-vigorous physical activity in extra-curricular sport. These results support the importance of physical education teachers who should promote self-determined motivation toward physical education so that students can reach the recommended physical activity levels.

Reducing the Mental Health-Related Stigma of Social Work Students: A Cluster RCT

ERIC Educational Resources Information Center

Rubio-Valera, Maria; Aznar-Lou, Ignacio; Vives-Collet, Mireia; Fernández, Ana; Gil-Girbau, Montserrat; Serrano-Blanco, Antoni

2018-01-01

The aim of this study was to evaluate the impact of a social contact and education intervention to improve attitudes to mental illness in first-year social work students. This was a 3-month cluster randomized controlled trial with two parallel arms: intervention (87) and control group (79). The intervention was a workshop led by an OBERTAMENT…

Applying a Resources Framework to Analysis of the Force and Motion Conceptual Evaluation

ERIC Educational Resources Information Center

Smith, Trevor I.; Wittman, Michael C.

2008-01-01

We suggest one redefinition of common clusters of questions used to analyze student responses on the Force and Motion Conceptual Evaluation. Our goal is to propose a methodology that moves beyond an analysis of student learning defined by correct responses, either on the overall test or on clusters of questions defined solely by content. We use…

Classification via Clustering for Predicting Final Marks Based on Student Participation in Forums

ERIC Educational Resources Information Center

Lopez, M. I.; Luna, J. M.; Romero, C.; Ventura, S.

2012-01-01

This paper proposes a classification via clustering approach to predict the final marks in a university course on the basis of forum data. The objective is twofold: to determine if student participation in the course forum can be a good predictor of the final marks for the course and to examine whether the proposed classification via clustering…