bluuebunny/crossref_metadata_2025 huggingface dataset:
Properties of CuInSe2 Thin Films Prepared by Chemical Spray Pyrolysis
Authors: Murakami Tomonori , Shirakata Sho , Isomura Shigehiro
Published: March 2014

CuInSe2 thin films have been prepared by chemical spray pyrolysis (CSP). Effects of substrate temperature (T
s), pH and the ion ratio (Cu/In) in the spray solution on the film properties have been investigated, and the following results have been obtained; (i) films deposited with neutralized solution (pH=4.0) exhibited chalcopyrite structure in contrast to those deposited with unneutralized one (pH=1.9) having sphalerite structure, (ii) resistivity increased with T
s for films deposited with the unneutralized solution, while decrease of the resistivity was observed for the neutralized case, and (iii) remarkable increase of resistivity with decreasing Cu/In has been observed. Finally, the effect of pH on the rectifying property in the CuInSe2/CdS heterojunction has been presented.
Optical Band Gap in Ordered Ga0.5In0.5P
Authors: Alsina F. , Pascual J. , Massone E. , Camassel J. , André J. P.
Published: March 2014

Symmetry breaking effects on the top-most of the valence band in long-range ordered Ga0.5In0.5P have been investigated by means of reflectivity and photoluminescence spectroscopy. The results are consistent with a band scheme where the trigonal crystal field splits the valence band in a high energy level of \varGamma6v
symmetry and a low energy level of \varGamma4v
+\varGamma5v
symmetry. The corresponding optical transitions, \varGamma6v
→\varGamma6c
and (\varGamma4+\varGamma5)
v
→\varGamma6c
, are fairly well described in terms of trigonal selection rules.
Zone-Centered Phonons in GaInP2
Authors: Pujol J. , Alsina F. , Pascual J. , Camassel J.
Published: March 2014

We present a theoretical study of optical phonon modes in trigonal GaInP2. We use a simple Keating model with only two series of parameters, bond-stretching and bond-bending force constants, between first-nearest neighbours, which are obtained by least-mean-squares fit to phonon modes in GaP and InP binary compound. Calculations show outstanding the following characteristics of optic phonons in GaInP2: GaP-like stretching modes are more sensitive to the trigonal distorsion than InP-like ones. For \varGamma1–\varGamma3 doublets, planar \varGamma3 symmetry modes have greater energy than their axial \varGamma1 partners.
Preparation of CuInSe2 Films by Selenization of CuIn Precursor in Vacuum Chamber
Authors: Gupta Akhlesh , Ohno Toyohiro , Kariya Tetsuya , Shirakata Sho , Isomura Shigehiro
Published: March 2014

CuInSe2 thin films were prepared on SiO2-coated sodalime glass substrate by the selenization of precursors in vacuum chamber. The deposition of In/Cu precursors was carried out with varying substrate temperature. Cu–In (In/Cu and Cu/In) precursors with or without thin Se layer (100 Å) were also prepared by varying stacking sequence of Cu and In. The structure and the morphology of In/Cu precursors have been investigated. It was found that the adhesive property of the CuInSe2 film to the substrate strongly depends on precursor preparation conditions.
Phonon Folding in ZnSe–ZnTe Strained Layer Superlattices
Authors: Kumazaki Kenji , Taniguchi Kazuya , Ozaki Hiroaki , Imai Kazuaki
Published: March 2014

Folding of longitudinal acoustic (LA) mode phonons in ZnSe–ZnTe strained layer superlattices, grown on the (001) GaAs without buffer layers by molecular beam epitaxy (MBE), was measured as a function of period and thickness of the layers by Raman scattenng. The dispersion relation between observed LA frequencies and wave number of the superlattices was analyzed by fitting the sound velocity as a parameter in the Rytov model. Two analytical solutions were obtained from the model. It is supported by consideration of calculation and experimental results that the sound velocity of the ZnSe and ZnTe layers in the superlattices is smaller and larger than their bulk values respectively, and this implies elongation of the ZnSe layers and compression of the ZnTe layers.
Band Offsets at Wurtzite/Znic-blende Interfaces and Their Applications
Authors: Murayama Misao , Nakayama Takashi
Published: March 2014

Analyzing the calculated band offsets at wurtzite(WZ)/zinc-blende(ZB) interface by the first-principles pseudopotential method, general features of electronic structures of WZ/ZB systems are presented. Using the calculated offsets, band gap energies of polytypes such as ZnS and SiC and of stacking-fault in Si are calculated. It is found that a general idea of band offset can be applied to explain the electronic properties of both polytypes and stacking-fault.
Rietveld Analysis of an Incommensurate Composite Crystal with a Nominal Composition Sr1.19TiS3
Authors: Onoda Mitsuko , Saeki Masanobu
Published: March 2014

The structure of the incommensurate composite crystal with a nominal composition Sr1.19TiS3 has been analyzed on the basis of the four-dimensional superspace group P1s
R3m using the powder X-ray diffraction data and the Rietveld analysis process. The unit cell and other crystal data are a
1=a
2=11.5211(2) Å, a
3=2.99716(7) Å, σ=(0 0 0.58107(3)), V=344.57 Å3, D
x=3.541 Mg m-3 and Z=3. R
WP was 0.112 on an incommensurate modulated structure model with 43 structural parameters. The crystal is composed of columns of face-shared polyhedra, (TiS6/2)∞, and rows of Sr, and both are parallel to the c axis.
Photoluminescence of TlInS2 at Low Temperatures
Authors: Arai Toshihiro , Aoyagi Jun , Maruyama Yoshihiro , Onari Seinosuke , Allakheverdiev Kerim R. , Bairamova E.
Published: March 2014

The photoluminescence bands are observed at 2.36 eV (A), 2.5 eV (B), 2.545 eV (D), 2.55 eV (E), 2.554 eV (F) and 2.559 eV (G) at 20 K, and 2.54 eV (C) at 10 K, and they show strange temperature dependences. These temperature dependences are interpreted by the variation in crystal structure and coexistence of some polytypes. The band D, E, F and G are interpreted as the excitons and the band A and B are interpreted as the non-local lattice defects. The origin of the band C is supposed to be also by the lattice defect but can not be made clear.
Optics of Incommensurate Phase of TlMeX2 Layered Compounds
Authors: Mamedov N. T. , Dzhavadov N. A. , Kargramanova S. T.
Published: March 2014

Temperature dependence of the optical functions of the incommensurate crystal considered as a solitonlike system is investigated. It is shown that light transmission is an oscillatory function of temperature. The results obtained from numerical analysis of the transmission ability are found to be in good qualitative agreement with experimental data for TlGaSe2. Expressions for dielectric tensors of the structures of a uniaxial layer-amorphous layer and a two-axial layer-amorphous layers type are also given. It is pointed out that making a careful study of the optical functions and parameters one can obtain the soliton density in the incommensurate phase.
Preparation of SnO2/CuInSe2 Heterojunction
Authors: Shirakata Sho , Yokoyama Atsumi , Isomura Shigehiro
Published: March 2014

SnO2/CuInSe2 heterojunction has been prepared by depositing the SnO2 film on the bulk p-CuInSe2 crystal. Deposition of SnO2 thin films has been performed by means of a plasma-assisted chemical vapor deposition technique using tetrabuthyltin (TBT) and oxygen as source precursors. The SnO2 thin films prepared were polycrystalline and highly oriented to (200) when deposited at temperatures higher than 400°C, while amorphous-like films were obtained at deposition temperatures lower than 380°C. The SnO2/CuInSe2 heterojunction diode with amorphous-like SnO2 layers exhibited rectifying properties and photovoltaic effect (V
oc=200 mV, I
sc=0.6 mA/cm2).
Chalcopyrite CuGaxIn1-xSe2 Thin Films Produced by Laser-Assisted Evaporation
Authors: Gremenok V. F. , Zaretskaya E. P. , Bodnar I. V. , Victorov I. A.
Published: March 2014

Thin films of CuGa
x
In1-x
Se2 were produced by laser-assisted evaporation. From X-ray diffraction analyses, these films have chalcopyrite structure and the lattice parameters were estimated. The optical absorption coefficient of the CuGa
x
In1-x
Se2 films were determined from the measured transmittance and reflectance in the wavelength range 0.4–2.0 µm. Hot probe analyses indicate that these thin films have p-type conduction. The Van der Pauw measurements show that the rasistivity increases with the decrease of indium content.
Crystal Growth of CuInSe2 by the Method of Horizontal Bridgman with Three Temperature Zones
Authors: Matsushita Hiroaki , Suzuki Tatsuhiko , Endo Saburo , Irie Taizo
Published: March 2014

The single crystals of CuInSe2 were prepared by the method of horizontal Bridgman with three temperature zones (3THB method). The Se content of the crystals increases with an increase of the Se vapor pressure under which the crystals are grown. The crystals prepared under the higher pressure than 10 Torr showed p-type conduction and was single phase, but those for the lower pressure showed n-type conduction and contained CuIn alloy phase. The Hall mobility of p-type crystals is maximum and the carrier concentration is minimum at 10 Torr of the Se vapor pressure.
Bioarchaeology of the middle Neolithic: Evidence for archery among early european farmers
Authors: Thomas Aline
Published: March 2014

This article focuses on Neolithic skeletons associated with the first monumental cemeteries of Western Europe and specifically those of the Cerny culture (Paris Basin, France). While this cultural context is an agrarian one, numerous arrowheads derived from complete hunting equipment are present in numerous graves. The goal of this work is to evaluate the morphological and pathological differences among the individuals according to the presence of arrowheads in their graves. It is postulated that those buried with such artifacts practiced archery, unlike their counterparts. Only adult males were selected for study to limit the effect of non‐mechanical factors such as age‐ and sex‐related modifications. The corpus consists of 36 males reliably identified among the 101 Cerny adults currently available. Thirteen men are associated with arrowheads. Variations in morphology and robusticity are evaluated on the basis of the external geometric properties of the appendicular skeleton. Entheseal changes to fibrocartilaginous attachment sites of upper and lower limbs are also examined. Both nonpathological skeletal adaptations and pathological indicators are consistent and reveal significant differences between the two groups compared. Functional adaptation is observed in the forearm bones and the clavicle in response to mechanical loads, and enthesopathies suggest repeated forceful use of upper limb muscles. These osteological changes specifically reflect the higher intensity upper limb activity of the men buried with arrowheads and correspond with the medical data on known archers, suggesting that this specific forceful task is linked to the practice of archery. Am J Phys Anthropol 154:279–290, 2014. © 2014 Wiley Periodicals, Inc.
Ambulance calls and prehospital transportation time of emergency patients with cardiovascular events in Osaka City
Authors: Kitamura Tetsuhisa , Iwami Taku , Kawamura Takashi , Nishiyama Chika , Sakai Tomohiko , Tanigawa‐Sugihara Kayo , Sasaki Mie , Kajino Kentaro , Irisawa Taro , Hayashida Sumito , Nishiuchi Tatsuya , Hiraide Atsushi
Published: March 2014

Aim

This study investigated the association between the number of phone calls made to hospitals from ambulances requesting if they can accept prehospital emergency patients with cardiovascular events, and the prehospital transportation time.

Methods

Using ambulance records, we retrospectively enrolled adult patients suffering acute myocardial infarction from 1998 to 2007, and out‐of‐hospital cardiac arrest of cardiac origin from 2000 to 2007, transported to medical institutions by the emergency medical service in Osaka City.

Results

During the study period, 8,596 patients with acute myocardial infarction without arrest and 9,283 out‐of‐hospital cardiac arrests of cardiac origin were registered. The hospital arrival time (from patient's call until hospital arrival) increased along with the increasing number of phone calls to hospitals from ambulances for patients with acute myocardial infarction (from 23.2 min with one phone call to 39.7 min with ≥5 phone calls; P for trend <0.001), and for those with out‐of‐hospital cardiac arrest (from 24.4 min with one phone call to 36.6 min with ≥5 phone calls; P for trend <0.001). In a multivariable analysis, chronological factors such as weekend and night‐time were significantly associated with an increment in the phone calls to hospitals from ambulances.

Conclusions

From ambulance records in Osaka City, we showed that the increased number of phone calls to hospitals from ambulances led to prolongation of the hospital arrival time.
Replacing AgTSSCH2‐R with AgTSO2C‐R in EGaIn‐Based Tunneling Junctions Does Not Significantly Change Rates of Charge Transport
Authors: Liao Kung‐Ching , Yoon Hyo Jae , Bowers Carleen M. , Simeone Felice C. , Whitesides George M.
Published: March 2014

This paper compares rates of charge transport by tunneling across junctions with the structures AgTSX(CH2)2nCH3 //Ga2O3 /EGaIn (n=1–8 and X= SCH2 and O2C); here AgTS is template‐stripped silver, and EGaIn is the eutectic alloy of gallium and indium. Its objective was to compare the tunneling decay coefficient (β, Å−1) and the injection current (J0, A cm−2) of the junctions comprising SAMs of n‐alkanethiolates and n‐alkanoates. Replacing AgTSSCH2‐R with AgTSO2C‐R (R=alkyl chains) had no significant influence on J0 (ca. 3×103 A cm−2) or β (0.75–0.79 Å−1)—an indication that such changes (both structural and electronic) in the AgTSXR interface do not influence the rate of charge transport. A comparison of junctions comprising oligo(phenylene)carboxylates and n‐alkanoates showed, as expected, that β for aliphatic (0.79 Å−1) and aromatic (0.60 Å−1) SAMs differed significantly.
Direct Borylation of Primary CH Bonds in Functionalized Molecules by Palladium Catalysis
Authors: Zhang Li‐Sheng , Chen Guihua , Wang Xin , Guo Qing‐Yun , Zhang Xi‐Sha , Pan Fei , Chen Kang , Shi Zhang‐Jie
Published: March 2014

Organoborane compounds are among the most commonly employed intermediates in organic synthesis and serve as crucial precursors to alcohols, amines, and various functionalized molecules. A simple palladium‐based system catalyzes the conversion of primary C(sp3)H bonds in functionalized complex organic molecules into alkyl boronate esters. Amino acids, amino alcohols, alkyl amines, and a series of bioactive molecules can be functionalized with the use of readily available and removable directing groups in the presence of commercially available additives, simple ligands, and oxygen (O2) as the terminal oxidant. This approach represents an economic and environmentally friendly method that could find broad applications.
Direkte UV‐induzierte Funktionalisierung oberflächengebundener Hydroxygruppen mithilfe von Thiol‐Alkohol‐Chemie
Authors: Li Linxian , Li Junsheng , Du Xin , Welle Alexander , Grunze Michael , Trapp Oliver , Levkin Pavel A.
Published: March 2014

Wir beschreiben ein neues UV‐initiiertes Verfahren, das eine direkte Funktionalisierung von oberflächengebundenen Hydroxygruppen mit Thiolen ermöglicht (hier als Thiol‐Alkohol‐Modifizierung bezeichnet). Diese Methode beruht auf einer oxidativen Kupplung von Thiol‐ an Hydroxygruppen. Wir zeigen, dass verschiedene Moleküle, die Thiolgruppen tragen, z. B. Fluorophore, thiolterminiertes Polyethylenglycol (PEG‐SH) oder Cystein enthaltende Peptide auf der Oberfläche von porösem Poly(2‐hydroxyethylmethacrylat‐co‐ethylendimethacrylat) gebunden werden können. Die direkte Funktionalisierung anderer Hydroxygruppen tragender Oberflächen sowie die Herstellung von Mikrostrukturen oder zweifache Strukturierungen sind ebenfalls mit der Thiol‐Alkohol‐Chemie möglich.
Microarrays Formed by Microfluidic Spinning as Multidimensional Microreactors
Authors: Xu Ling‐Ling , Wang Cai‐Feng , Chen Su
Published: March 2014

The exploration of methods allowing chemical reactions to be carried out at ultrasmall scales is of great scientific and technological interest. We report herein a microfluidic spinning technique for the fabrication of softened‐polymer microarrays for use as multidimensional microreactors and the application of these microreactors in the synthesis of fluorescent nanocrystals. Highly aligned microarrays and controlled‐angle grids were readily constructed from microfluidically spun polyvinylpyrrolidone (PVP) microfibers. One–zero dimensional (1D–0D), one–one dimensional (1D–1D), and one–two dimensional (1D–2D) microreactors were then produced by the intersections between microfibers and droplets, crossed microfibers, and microfibers and a PVP film, respectively; each component can be doped with different reagents. Specific examples show that these multidimensional microreactors enable the in situ generation of fluorescent nanocrystals without ligands within minutes.
Redox‐Responsive Macroscopic Gel Assembly Based on Discrete Dual Interactions
Authors: Nakahata Masaki , Takashima Yoshinori , Harada Akira
Published: March 2014

The macroscopic self‐assembly of polymeric hydrogels modified with β‐cyclodextrin (βCD gel), ferrocene (Fc gel), and styrenesulfonic acid sodium salt (SSNa gel) was investigated. Under reductive conditions, the Fc gel selectively adhered to the βCD gel through a host–guest interaction. On the other hand, the oxidized ferrocenium (Fc+) gel selectively adhered to the SSNa gel through an ionic interaction under oxidative conditions. The adhesion strength was estimated by a tensile test. We finally succeeded in forming an ABC‐type macroscopic assembly of all three gels through two discrete noncovalent interactions.
INHERITANCE OF ELECTROPHYSIOLOGICAL RESPONSES TO LEAF SAPS OF HOST‐ AND NONHOST PLANTS IN TWO Helicoverpa SPECIES AND THEIR HYBRIDS
Authors: Tang Qing‐Bo , Huang Ling‐Qiao , Wang Chen‐Zhu , Tang Qing‐Bo , Zhan Huan , van Loon Joop J. A.
Published: March 2014

The polyphagous cotton bollworm Helicoverpa armigera (Hübner) and the oligophagous oriental tobacco budworm Helicoverpa assulta (Guenée) (Lepidoptera: Noctuidae) display contrasting heritable feeding preferences for cotton and pepper leaves. In this study, electrophysiological response patterns to cotton and pepper leaf saps in gustatory sensilla styloconica on the maxillae of these two species, their reciprocal F1 hybrids, and backcrossed lines were investigated using the tip recording technique. The identity of the neurons responding to the two leaf saps has been established using action potential waveform analysis. The two plant leaf saps elicited neural activity in at least six of the eight taste neurons innervating the lateral and medial sensilla styloconica of the parental species and crosses. Discriminant analysis of this multineural input predicted that correct classification occurred in 87 – 92% of the cases. Differences in taste neuron responses between insect lines to the two plant saps were consistent with differences in feeding preference behaviors. Comparisons of taste neuron response patterns of parental species, F1 hybrids and backcrosses indicate that autosomal loci contributed to the difference in gustatory response patterns between the two Helicoverpa species with the H. armigera derived alleles being partly dominant to those carried by H. assulta. These findings contribute to the understanding of gustatory codes for preference and provide insight into taste evolution of lepidopteran insects.
The communicative ecology of Web 2.0 at work: Social networking in the workspace
Authors: Davison Robert M. , Ou Carol X.J. , Martinsons Maris G. , Zhao Angela Y. , Du Rong
Published: March 2014

Social media have transformed social interactions and now look set to transform workplace communications. In this exploratory study, we investigate how employees use and get value from a variety of social networking technologies. The context of this research is 4 software firms located in China. Notwithstanding differences in corporate attitudes toward social networking, we identify common themes in the way Web 2.0 technologies are leveraged as value is created by employees at all levels. We draw on the communication ecology framework to analyze the application of various technologies. We inductively develop 5 propositions that describe how social networking technologies contribute directly to horizontal and vertical communication in organizations, and ultimately to individual, team, and organizational performance. Implications for research and practice are discussed.
2 D Manganese Vanadate Nanoflakes as High‐Performance Anode for Lithium‐Ion Batteries
Authors: Deng Dingrong , Zhang Yanjun , Li Gen , Wang Xueyun , Gan Li‐Hua , Jiang Li , Wang Chun‐Ru
Published: March 2014

Nanometer‐sized flakes of MnV2O6 were synthesized by a hydrothermal method. No surfactant, expensive metal salt, or alkali reagent was used. These MnV2O6 nanoflakes present a high discharge capacity of 768 mA h g−1 at 200 mA g−1, good rate capacity, and excellent cycling stability. Further investigation demonstrates that the nanoflake structure and the specific crystal structure make the prepared MnV2O6 a suitable material for lithium‐ion batteries.
Sidestream Analysis and Optimization of Full Tower Internal Thermally Coupled Air Separation Columns
Authors: Chang Liang , Liu Xinggao
Published: March 2014

An appropriate sidestream is the key to improve the yields and purities of products in the cryogenic air separation process. The sidestream of a full tower internal thermally coupled air separation column is characterized. Sensitivity analysis indicates that heat duty distribution, purities, and yields of the products are strongly influenced by the withdrawn position and the flow rate of the sidestream. Optimization models are proposed by adopting the minimum flow rate of the low‐purity liquid nitrogen product and with maximum flow rates of the oxygen product or nitrogen product as optimization target. The optimization research allows selecting the optimum operating conditions with different production requirements.
Regioselective Hydrolysis of Human Serum Albumin by ZrIV‐Substituted Polyoxotungstates at the Interface of Positively Charged Protein Surface Patches and Negatively Charged Amino Acid Residues
Authors: Stroobants Karen , Absillis Gregory , Moelants Eva , Proost Paul , Parac‐Vogt Tatjana N.
Published: March 2014

Complexes comprising the Lewis acidic ZrIV metal and protein binding polyoxotungstate ligands of Lindqvist‐, Keggin‐ and Wells–Dawson‐type were found to region selectively hydrolyze human serum albumin at four distinct positions. Higher reactivities were found for structures with higher polyoxometalate charges and the cleavage positions were found in protein regions of mixed charge. Both findings suggest an electrostatic nature of the observed reactivity.
Iron(III)‐Quantity‐Dependent Aggregation–Dispersion Conversion of Functionalized Gold Nanoparticles
Authors: Bai Linyi , Zhu Liangliang , Ang Chung Yen , Li Xin , Wu Shaojue , Zeng Yongfei , Ågren Hans , Zhao Yanli
Published: March 2014

Developing gold nanoparticles (AuNPs) with well‐designed functionality is highly desirable for boosting the performance and versatility of inorganic–organic hybrid materials. In an attempt to achieve ion recognition with specific signal expressions, we present here 4‐piperazinyl‐1,8‐naphthalimide‐functionalized AuNPs for the realization of quantitative recognition of FeIII ions with dual (colorimetric and fluorescent) output. The research takes advantage of 1) quantity‐controlled chelation‐mode transformation of the piperazinyl moiety on the AuNPs towards FeIII, thereby resulting in an aggregation–dispersion conversion of the AuNPs in solution, and 2) photoinduced electron transfer of a naphthaimide fluorophore on the AuNPs, thus leading to reversible absorption and emission changes. The functional AuNPs are also responsive to pH variations. This strategy for realizing the aggregation–dispersion conversion of AuNPs with returnable signal output might exhibit application potential for advanced nanoscale chemosensors.
On the Oxidation of the Three‐Dimensional Aromatics [B12X12]2− (X=F, Cl, Br, I)
Authors: Boeré René T. , Derendorf Janis , Jenne Carsten , Kacprzak Sylwia , Keßler Mathias , Riebau Rainer , Riedel Sebastian , Roemmele Tracey L. , Rühle Monika , Scherer Harald , Vent‐Schmidt Thomas , Warneke Jonas , Weber Stefan
Published: March 2014

The perhalogenated closo‐dodecaborate dianions [B12X12]2− (X=H, F, Cl, Br, I) are three‐dimensional counterparts to the two‐dimensional aromatics C6X6 (X=H, F, Cl, Br, I). Whereas oxidation of the parent compounds [B12H12]2− and benzene does not lead to isolable radicals, the perhalogenated analogues can be oxidized by chemical or electrochemical methods to give stable radicals. The chemical oxidation of the closo‐dodecaborate dianions [B12X12]2− with the strong oxidizer AsF5 in liquid sulfur dioxide (lSO2) yielded the corresponding radical anions [B12X12]⋅− (X=F, Cl, Br). The presence of radical ions was proven by EPR and UV/Vis spectroscopy and supported by quantum chemical calculations. Use of an excess amount of the oxidizing agent allowed the synthesis of the neutral perhalogenated hypercloso‐boranes B12X12 (X=Cl, Br). These compounds were characterized by single‐crystal X‐ray diffraction of dark blue B12Cl12 and [Na(SO2)6][B12Br12]⋅B12Br12. Sublimation of the crude reaction products that contained B12X12 (X=Cl, Br) resulted in pure dark blue B12Cl12 or decomposition to red B9Br9, respectively. The energetics of the oxidation processes in the gas phase were calculated by DFT methods at the PBE0/def2‐TZVPP level of theory. They revealed the trend of increasing ionization potentials of the [B12X12]2− dianions by going from fluorine to bromine as halogen substituent. The oxidation of all [B12X12]2− dianions was also studied in the gas phase by mass spectrometry in an ion trap. The electrochemical oxidation of the closo‐dodecaborate dianions [B12X12]2− (X=F, Cl, Br, I) by cyclic and Osteryoung square‐wave voltammetry in liquid sulfur dioxide or acetonitrile showed very good agreement with quantum chemical calculations in the gas phase. For [B12X12]2− (X=F, Cl, Br) the first and second oxidation processes are detected. Whereas the first process is quasi‐reversible (with oxidation potentials in the range between +1.68 and +2.29 V (lSO2, versus ferrocene/ferrocenium (Fc0/+))), the second process is irreversible (with oxidation potentials ranging from +2.63 to +2.71 V (lSO2, versus Fc0/+)). [B12I12]2− showed a complex oxidation behavior in cyclic voltammetry experiments, presumably owing to decomposition of the cluster anion under release of iodide, which also explains the failure to isolate the respective radical by chemical oxidation.
Are Triphenylamine‐Functionalized or Carbazole‐Functionalized Iridium Complexes the More Effective Phosphorescent Materials? A Theoretical Perspective
Authors: Li Yan , Zou Lu‐Yi , Ren Ai‐Min , Ma Ming‐Shuo , Fan Jian‐Xun
Published: March 2014

The ground and excited states, charge injection/transport, and phosphorescence properties of eleven carbazole‐ and triphenylamine‐functionalized IrIII complexes were investigated by using the DFT method. By analyzing the spin–orbit coupling (SOC) matrix elements, radiative decay rate constants kr, and the electronic structures and energies at the ${{\rm{S}}_{\rm{0}}^{{\rm{opt}}} }$ and ${{\rm{T}}_{\rm{1}}^{{\rm{opt}}} }$ states, it was possible to rationalize the order of the experimental phosphorescence quantum yields of a series of IrIII complexes and to predict that [Ir(Nph‐2‐Cz‐tz)3] has a higher phosphorescence quantum yield than [Ir(TPA‐tz)3] (TPA=triphenylamine, tz=thiazolyl, Cz=carbazole, Nph=N‐phenyl). Carbazole‐functionalized IrIII complexes were shown to be efficient phosphorescent materials that have not only fast but also balanced electron/hole‐transport performance as well as high phosphorescence quantum yields. The phosphorescence emission spectra can be modulated by modifying or replacing a pyridyl substituent.
Efficient CS Cross‐Coupling of Thiols with Aryl Iodides Catalyzed by Cu(OAc)2·H2O and 2,2′‐Biimidazole
Authors: Zong Chenglong , Liu Jianli , Chen Shengyan , Zeng Runsheng , Zou Jianping
Published: March 2014

The classical Ullmann CS cross coupling reaction of aryl iodides with aromatic/alkyl thiols under catalysis of 15 mol% Cu(OAc)2·H2O and 15 mol% 2,2′‐biimidazole works at 80°C in DMSO for 3 h to provide a variety of aryl sulfides in good to excellent yields.
Changes in Enzyme Activities and Microbial Community Structure in Heavy Metal‐Contaminated Soil under in Situ Aided Phytostabilization
Authors: Wasilkowski Daniel , Mrozik Agnieszka , Piotrowska‐Seget Zofia , Krzyżak Jacek , Pogrzeba Marta , Płaza Grażyna
Published: March 2014

The effect of lignite and lime on the structural biodiversity and enzyme activities of soil microorganisms in heavy metal‐contaminated soil during an aided phytostabilization was studied. Over the experiment the amount of bioavailable fractions of Zn and Cd declined threefold and in the end reached the values of 87.8 and 4.2 mg kg−1 for Zn and Cd, respectively. The activities of enzymes increased markedly in soil under aided phytostabilization. On the last sampling day the activities of dehydrogenase, alkaline and acid phosphatase, as well urease, were 15‐, 8‐, 4‐, and 19‐fold higher as compared to the initial values. The analyses of fatty acid methyl ester and phospholipid fatty acid (PLFA) patterns showed a shift in the structure of microbial populations in the treated soil as compared to untreated soil. In general, the microbial biomass of total, Gram‐positive and Gram‐negative bacteria (GNBB), as well actinomycetes and fungi (FB), was higher in the soil under aided phytostabilization in comparison with control soil. The highest biomass increase from 2.3 to 2.9 and from 0.4 to 0.8 nmol PLFA g−1 soil (dry weight), was found for GNBB and FB, respectively. Phytostabilization supported by lignite and lime appeared to be an effective method to decrease Zn and Cd content in heavy metal‐contaminated soil.
Visual comfort as a function of lightness difference between text and background: A cross‐age study using an LCD and a tablet computer
Authors: Ou Li‐Chen , Sun Pei‐Li , Huang Hsin‐Pou , Ronnier Luo M.
Published: March 2014

Two experiments were performed to investigate the effects of text‐background lightness difference on visual comfort. A panel of 21 young and 20 older observers in Taiwan participated in Experiment I, using an LCD TV (with a display luminance of 551.8 cd/m2) as the presentation media. The results show that on a light background, visual comfort increases as the lightness difference gets larger and larger. On a dark background, however, the highest visual comfort value can be obtained when there is a moderate lightness difference. There seems to be little effect of age on visual comfort using the LCD TV with regard to the lightness difference. In Experiment II, 20 young and 20 older Taiwanese observers participated, using a tablet computer (with a display luminance of 397.3 cd/m2). According to the results, the larger text‐background lightness difference, the higher visual comfort value for older observers. For young observers, however, the highest visual comfort value can be obtained when there is a moderate, rather than extremely high, lightness difference. These findings can help provide useful guidelines for graphic user interface design in modern e‐reading devices. © 2014 Wiley Periodicals, Inc. Col Res Appl, 40, 125–134, 2015
National Center for Atmospheric Research storage accounting and analysis possibilities
Authors: Hart David L. , Gillman Pam , Thanhardt Erich
Published: March 2014

While most high‐performance computing system operators diligently track computing usage and utilization on a job‐by‐job basis, far fewer sites have implemented mechanisms for tracking and accounting for usage of their storage systems. As we enter an era of larger and larger data holdings, the need to monitor, track, and analyze users' consumption of storage resources becomes more critical for planning, operating, and managing petascale storage environments. The National Center for Atmospheric Research has long had a formal accounting mechanism in place for its archival storage system and has recently extended a similar mechanism to its recently acquired 11‐PB disk resource. The collected data help National Center for Atmospheric Research's users manage their data holdings, provide administrators with reporting and analysis capabilities to guide the use and management of these vital resources, and offer necessary information to support data management policies. Copyright © 2014 John Wiley & Sons, Ltd.
Providing resource information to users of a national computing center
Authors: Hanlon Matthew , Smith Warren , Mock Stephen
Published: March 2014

The Texas Advanced Computing Center provides a variety of high‐end resources to state, national, and international computational scientists and engineers. Many users obtain information about these resources via the Texas Advanced Computing Center user interfaces, which are supported by an information gathering and distribution infrastructure. After a number of years of use, we needed to improve our user interfaces by both redesigning the web interface and adding mobile interfaces. To support this, we also needed to update our information infrastructure. This paper presents our new design, describes how it improves over the previous approach, and shows that this design meets our current and expected future needs. Copyright © 2014 John Wiley & Sons, Ltd.
Dye‐Sensitized Solar Cells with Reduced Graphene Oxide as the Counter Electrode Prepared by a Green Photothermal Reduction Process
Authors: Yeh Min‐Hsin , Lin Lu‐Yin , Chang Ling‐Yu , Leu Yow‐An , Cheng Wan‐Yu , Lin Jiang‐Jen , Ho Kuo‐Chuan
Published: March 2014

Highly conductive reduced graphene oxide (rGO) with good electrocatalytic ability for reducing triiodide ions (I3−) is a promising catalyst for the counter electrode (CE) of dye‐sensitized solar cells (DSSCs). However, hazardous chemical reducing agents or energy‐consuming thermal treatments are required for preparing rGO from graphene oxide (GO). Therefore, it is necessary to find other effective and green reduction processes for the preparation of rGO and to fabricate rGO‐based DSSCs. In this study, GO was prepared using a modified Hummers method from graphite powder, and further reduced to rGO through a photothermal reduction process (to give P‐rGO). P‐rGO shows better electrocatalytic ability due mainly to its high standard heterogeneous rate constant for I3− reduction and in part to its considerable electrochemical surface area. The corresponding DSSC shows a higher cell efficiency (η) of 7.62 % than that of the cell with a GO‐based CE (η=0.03 %). When the low‐temperature photothermal reduction process is applied to all‐flexible plastic DSSCs, the DSSC with a P‐rGO CE shows an η of 4.16 %.
Hydrothermal Deoxygenation of Triglycerides over Pd/C aided by In Situ Hydrogen Production from Glycerol Reforming
Authors: Hollak Stefan A. W. , Ariëns Maxim A. , de Jong Krijn P. , van Es Daan S.
Published: March 2014

A one‐pot catalytic hydrolysis–deoxygenation reaction for the conversion of unsaturated triglycerides and free fatty acids to linear paraffins and olefins is reported. The hydrothermal deoxygenation reactions are performed in hot compressed water at 250 °C over a Pd/C catalyst in the absence of external H2. We show that aqueous–phase reforming (APR) of glycerol and subsequent water–gas‐shift reaction result in the in situ formation of H2. While this has a significant positive effect on the deoxygenation activity, the product selectivity towards high‐value, long‐chain olefins remains high.
Withdrawal Assessment Following Subchronic Oral Ketamine Administration in Cynomolgus macaques
Authors: Walgren Jennie L. , Carfagna Mark A. , Koger Deanna , Sgro Mario , Kallman Mary Jeanne
Published: March 2014

Preclinical Research

Recently there is increased regulatory interest in the assessment of physical dependence and withdrawal as part of the safety assessment for novel therapeutic entities. Choosing appropriate and sensitive parameters to detect withdrawal syndromes, and relevant positive control comparator drugs that can be administered in the same manner as the test agent, are critical study design elements. Pilot studies to determine the effects of oral ketamine in cynomolgus monkeys during, and following cessation of treatment, were explored. Detailed behavioral observations (both remote and interactive), food consumption, and body weight and temperature, were assessed during the dose‐ranging, repeat dose (5 or 14 days), and withdrawal phases (3 or 5 days). Doses explored during dose‐ranging included 20, 40, 100, or 200 mg/kg ketamine; subsequent withdrawal assessments were conducted following repeat dosing of 150 mg/kg. In the 14‐day dosing study, exposure to ketamine and norketamine was assessed following 8 days of dosing. Administration of 150 mg/kg ketamine produced decreased activity, loss of balance, ataxia, hunched posture, nystagmus, lateral recumbence, and changes in alertness levels during dosing phases. When ketamine was withdrawn, increased reactivity, increased activity, and stereotypic behaviors were demonstrated that were absent during baseline or the dosing phase of the studies.
Mortality following hospital discharge with a diagnosis of eating disorder: National record linkage study, England, 2001–2009
Authors: Hoang Uy , Goldacre Michael , James Anthony
Published: March 2014

Objective

To calculate mortality of people with eating disorders (ED) in England, relative to that of people of the same age and sex, between 2001 and 2009. We were specifically interested in mortality amongst adolescents and young adults (15–24 years), and older adults (25–44 years).

Method

We analyzed a NHS Hospital Episode Statistics (HES) dataset for all England, linked to death registrations, to calculate age‐ and sex‐specific discharge rates for people with a diagnosis of ED and their subsequent mortality by one year after discharge.

Results

The standardized mortality ratio (SMR) for adolescents and young adults with a diagnosis of ED was 7.8 (95% confidence interval: 4.4–11.2). This compares with an SMR for people of the same age with schizophrenia of 10.2 (8.3–12.2), with bipolar disorder of 3.6 (1.1–6.1, and with depression of 4.5 (3.6–5.3). Of the ED, the SMR for anorexia nervosa (AN) in people aged 15–24 was 11.5 (6.0–17.0), for bulimia nervosa (BN) was 4.1 (0–8.7), and eating disorders not otherwise specified (ED NOS) was 1.4 (0–4.0). For older adults aged 25–44 years, the SMR for ED was 10.7 (7.7–13.6). Specifically, for AN was 14.0 (9.2–18.8), for BN was 7.7 (3.5–11.9), and ED NOS was 4.7 (1.4–8.0), for schizophrenia was 7.3 (6.6–7.9), for bipolar disorder was 4.3 (3.5–5.1) and for depression was 4.9 (4.6–5.3). No deaths were recorded below 15 years of age.

Discussion

This study confirms the high SMR associated with ED, notably with anorexia and bulimia. © 2014 Wiley Periodicals, Inc. (Int J Eat Disord 2014; 47:507–515)
Development of Automatic Brain Temperature Controller Based on Conditions of Clinical Use
Authors: Utsuki Tomohiko , Wakamatsu Hidetoshi
Published: March 2014

A new automatic brain temperature controller was developed based on the conditions required for clinical use from the viewpoint of various aspects of feasibility, in particular an electric power consumption of less than 1500 W in an intensive care unit. An adaptive algorithm was employed to deal with individual time‐varying characteristic changes of patients. The controller in water‐surface cooling hypothermia requires significant power for frequent regulation of the water temperature of cooling blankets. Thus, in this study, the power consumption of the controller was checked by several kinds of tests involving simulated control of brain temperature with a mannequin that had thermal characteristics similar to those of adult patients. The required accuracy for therapeutic brain hypothermia, specifically a control deviation within ±0.1 °C, was experimentally confirmed in terms of the root mean square control error, even though the present controller consumes less energy than a conventional controller. It can maintain a reserve power margin of more than 300 W even during full operation. The clinically required water temperature was also confirmed within the limits of the power supply. Thus, its practical application is highly desirable, since it will reduce the physical burden on medical staff and will offer greater usability and better medical cost performance.
Reverse‐Recovery Analysis of Parallel‐Connected pin Diodes Using a Physics‐Based Device Model
Authors: Horiguchi Takeshi , Sugimoto Takayuki , Tominaga Shinji , Urushibata Hiroaki , Fujita Hideaki , Akagi Hirofumi , Kinouchi Shin‐Ichi , Oi Takeshi
Published: March 2014

This paper presents a reverse‐recovery analysis of parallel‐connected pin diodes using a physics‐based device model. Since the pin diode model is based on a physical equation, the excess carrier distribution in the drift layer is estimated. A precise device model enables us to understand the transient characteristics of the parallel‐connected pin diodes. We investigated the reverse‐recovery characteristics of parallel‐connected pin diodes by using a physics‐based pin diode model. A difference in the wiring inductance or device temperature between the two pin diodes causes a transient current imbalance.

Complicated reverse‐recovery current waveforms are observed under both conditions—a difference in the wiring inductance and a difference in the device temperature. They result from a difference in the starting time of forming each depletion layer between the two pin diodes. Simulation results are in good agreement with experimental ones within an error of 10% in terms of the reverse‐recovery loss. We find that a precise physics‐based pin diode model is very useful when designing a power electronics apparatus.
Evidence of the Formation of Surface Palladium Carbide during the Catalytic Combustion of Lean Methane/Air Mixtures
Authors: Setiawan Adi , Kennedy Eric M. , Dlugogorski Bogdan Z. , Adesina Adesoji A. , Tkachenko Olga , Stockenhuber Michael
Published: March 2014

The catalytic combustion of <1 % methane in air over palladium‐based catalysts is investigated. The influence of operating parameters and pretreatment conditions on the activity and stability of the catalysts is studied. X‐ray photoelectron spectroscopy analysis of Pd/Al2O3 indicates the emergence of Pd carbide, even under lean conditions (0.6 % methane) and at temperatures as low as 180 °C. Significant differences were observed in the light‐off temperatures and extent of coke deposition, depending on whether the catalysts were conditioned under oxidizing or reducing conditions. The oxidized palladium catalysts were reduced by methane under reaction conditions and exhibited similar activity compared to catalysts which were activated under hydrogen. Time‐on‐stream experiments reveal that the stability of the Pd/Al2O3 catalyst reduced in hydrogen was only marginally improved compared to catalysts calcined in air.
Intrusive Thoughts in Obsessive–Compulsive Disorder and Eating Disorder Patients: A Differential Analysis
Authors: García‐Soriano Gemma , Roncero Maria , Perpiñá Conxa , Belloch Amparo
Published: March 2014

The present study aims to compare the unwanted intrusions experienced by obsessive–compulsive (OCD) and eating disorder (ED) patients, their appraisals, and their control strategies and analyse which variables predict the intrusions' disruption and emotional disturbance in each group. Seventy‐nine OCD and 177 ED patients completed two equivalent self‐reports designed to assess OCD‐related and ED‐related intrusions, their dysfunctional appraisals, and associated control strategies. OCD and ED patients experienced intrusions with comparable frequency and emotional disturbance, but OCD patients experienced greater disruption. Differences appeared between groups on some appraisals and control strategies. Intolerance to uncertainty (OCD group) and thought importance (ED group) predicted their respective emotional disturbance and disruption. Additionally, control importance (OCD group) and thought–action fusion moral (OCD and ED groups) predicted their emotional disturbance. OCD and ED share the presence of intrusions; however, different variables explain why they are disruptive and emotionally disturbing. Cognitive intrusions require further investigation as a transdiagnostic variable. Copyright © 2014 John Wiley & Sons, Ltd and Eating Disorders Association.
Analysis of essential elements in Pito—a cereal food drink and its brands by the single‐comparator method of neutron activation analysis
Authors: Adazabra Aaron N. , Ntiforo Apori , Bamford Samuel A.
Published: March 2014

Instrumental neutron activation analysis using the single‐comparator method has been used for the multielement determination of essential elements in two main types of Pito brewed locally in Ghana. The precision and accuracy of the analytical method was validated and found to be within 10%. In all, eight different brands of Pito depending on the type of cereal crop used in brewing were analyzed for 13 different elements (Al, As, Ba, Cl, Co, Cu, Fe, K, Mg, Mn, Na, Si, and Zn). It was observed that all brands were particularly enriched in nutrient elements Cl, Mg, and K. The rest were generally found in varying concentrations. As these elements are bioavailable in natural form, perhaps in combination with organic constituents, they are likely to be easily digested and assimilated by the human body. Arsenic, a toxic element, was found in insignificant amounts suggesting that it was within safe limits.
Hippocampal corticosterone impairs memory consolidation during sleep but improves consolidation in the wake state
Authors: Kelemen Eduard , Bahrendt Marie , Born Jan , Inostroza Marion
Published: March 2014

We studied the interaction between glucocorticoid (GC) level and sleep/wake state during memory consolidation. Recent research has accumulated evidence that sleep supports memory consolidation in a unique physiological process, qualitatively distinct from consolidation occurring during wakefulness. This appears particularly true for memories that rely on the hippocampus, a region with abundant expression of GC receptors. Against this backdrop we hypothesized that GC effects on consolidation depend on the brain state, i.e., sleep and wakefulness. Following exploration of two objects in an open field, during 80 min retention periods rats received an intrahippocampal infusion of corticosterone (10 ng) or vehicle while asleep or awake. Then the memory was tested in the hippocampus‐dependent object‐place recognition paradigm. GCs impaired memory consolidation when administered during sleep but improved consolidation during the wake retention interval. Intrahippocampal infusion of GC or sleep/wake manipulations did not alter novel‐object recognition performance that does not require the hippocampus. This work corroborates the notion of distinct consolidation processes occurring in sleep and wakefulnesss, and identifies GCs as a key player controlling distinct hippocampal memory consolidation processes in sleep and wake conditions. © 2014 Wiley Periodicals, Inc.
Cognitions of Expert Supervisors in Academe: A Concept Mapping Approach
Authors: Kemer Gülşah , Borders L. DiAnne , Willse John
Published: March 2014

Eighteen expert supervisors reported their thoughts while preparing for, conducting, and evaluating their supervision sessions. Concept mapping (Kane & Trochim, ) yielded 195 cognitions classified into 25 cognitive categories organized into 5 supervision areas: conceptualization of supervision, supervisee assessment, supervisory relationship, supervisor self‐assessment, and administration of supervision. Implications for future research and supervisor training programs are discussed.