bluuebunny/crossref_metadata_2025 huggingface dataset:
Therapie der Herzerkrankungen im Wandel
Authors: Billinger Michael
Published: December 2014

Die Therapie der Herzerkrankungen verändert sich in einem atemberaubenden Tempo. Weltweit ist eine erhebliche Verschiebung der Behandlung koronarer und valvulärer Erkrankungen von der Herzchirurgie in Richtung minimal-invasive Kardiologie festzustellen. Zudem können durch den Einzug innovativer Behandlungsformen stetig neue Herzerkrankungen interventionell angegangen werden für die es bislang nur medikamentöse oder keine Therapien gab. Viele Patienten profitieren von den zahlreichen und innovativen Behandlungen. Die hohe Geschwindigkeit der Veränderungen birgt jedoch auch die Gefahr von unnötigen oder falschen Therapien. Um dieses Risiko zu minimieren und der Komplexität Rechnung zu tragen, bedarf es einer engen Zusammenarbeit zwischen Kardiologen und Herzchirurgen, einem guten Austausch innerhalb der kardiologischen Subdisziplinen, einer guten Vernetzung mit den niedergelassenen Kollegen und einer intensivierten Forschung mit zeitnaher Anpassung der Behandlungsrichtlinien.
Commitment and Dyadic Coping in Long-Term Relationships
Authors: Landis Marion , Bodenmann Guy , Bradbury Thomas N. , Brandstätter Veronika , Peter-Wight Melanie , Backes Sabine , Sutter-Stickel Dorothee , Nussbeck Fridtjof W.
Published: December 2014

Background: Previous research focused on relationship commitment as the outcome of high satisfaction, poor alternatives, and high investments. We propose that commitment is a prerequisite in highly satisfied couples, fostering relationship maintenance behavior such as positive dyadic coping. Method: Structural equation models identified the relationship between commitment, relationship satisfaction, and dyadic coping with data from 201 heterosexual couples with an average relationship length of 34 years. Results: The common fate model confirmed that relationship satisfaction mediated the effects between commitment and dyadic coping on a latent dyadic level. Additional analyses revealed that women’s satisfaction was mainly responsible for mediating effects between both partners’ commitment and dyadic coping. Conclusions: Findings support the essentiality of commitment for couples’ maintenance strategies and for consistency in long-term relationships.
Can the Mini-Mental State Examination Predict Capacity to Consent to Treatment?
Authors: Haberstroh Julia , Müller Tanja , Knebel Maren , Kaspar Roman , Oswald Frank , Pantel Johannes
Published: December 2014

This study examines the relationship between capacity to consent to treatment as measured by the MacArthur Competence Assessment Tool for Treatment (MacCAT-T) and severity of cognitive impairment as measured with the Mini-Mental State Examination (MMSE). It also looks at the role of verbal retrieval in this relationship. We hypothesized that the often-quoted correlation between the MacCAT-T and the MMSE lies mainly in the joint dependence on verbal retrieval ability. Potential subjects were recruited from memory clinics, senior citizen meeting places, and a university program for seniors. Data of 149 people over 54 years, 49 of whom had been diagnosed with Alzheimer’s disease or mixed dementia, were used. The relationship between capacity to consent to treatment, verbal retrieval, and MMSE was examined using a structural equation modeling framework. The findings suggest that verbal retrieval is a confounding method factor. In the informed consent process for people with dementia, verbal memory loads should be minimized to provide a more valid measure of their capacity to consent to treatment.
When Relevance Matters
Authors: Glöckner Andreas , Englich Birte
Published: December 2014

Studies on anchoring effects indicate that judgments can be biased by previous comparisons to high- or low-anchor values. Anchoring effects have been demonstrated in many domains and they have been found both for relevant anchors that provide partially valid information concerning the assessed target as well as for irrelevant anchors that clearly don’t. Based on previous findings it has been argued that anchoring effects are independent of the relevance of the anchor. In research on multiple-cue inferences it has, however, been found that individuals are highly sensitive to the relevance (validity) of cues. In two studies on sentencing decisions we show that relevant anchors influence sentencing decisions to a larger degree than irrelevant ones. We consistently find an effect of relevance for high anchors. Results still remain a bit mixed since the effect of relevance did not hold for low anchors that were introduced in the second study.
A time-indexed reference standard of adverse drug reactions
Authors: Harpaz Rave , Odgers David , Gaskin Greg , DuMouchel William , Winnenburg Rainer , Bodenreider Olivier , Ripple Anna , Szarfman Ana , Sorbello Alfred , Horvitz Eric , White Ryen W. , Shah Nigam H.
Published: December 2014

Undetected adverse drug reactions (ADRs) pose a major burden on the health system. Data mining methodologies designed to identify signals of novel ADRs are of deep importance for drug safety surveillance. The development and evaluation of these methodologies requires proper reference benchmarks. While progress has recently been made in developing such benchmarks, our understanding of the performance characteristics of the data mining methodologies is limited because existing benchmarks do not support prospective performance evaluations. We address this shortcoming by providing a reference standard to support prospective performance evaluations. The reference standard was systematically curated from drug labeling revisions, such as new warnings, which were issued and communicated by the US Food and Drug Administration in 2013. The reference standard includes 62 positive test cases and 75 negative controls, and covers 44 drugs and 38 events. We provide usage guidance and empirical support for the reference standard by applying it to analyze two data sources commonly mined for drug safety surveillance.
Structural and electronic properties of transparent conducting delafossite: a comparison between the AgBO2 and CuBO2 families (B = Al, Ga, In and Sc, Y)
Authors: Iozzi M. F. , Vajeeston P. , Vidya R. , Ravindran P. , Fjellvåg H.
Published: December 2014

The Ag-based delafossite transparent conducting oxides are potential p-type materials for transparent electronics. However, they have attracted less attention due to their difficult synthetic chemistry and relatively low conductivity.
Controllable luminescence of layered rare-earth hydroxide composites with a fluorescent molecule: blue emission by delamination in formamide
Authors: Gu Qingyang , Su Feifei , Ma Shulan , Sun Genban , Yang Xiaojing
Published: December 2014

Intercalation of fluorescent molecule HPTS into LRH (R = Eu, Gd) to form composites showing tuned luminescence and blue emission at delamination in formamide.
Thiourea dioxide as a unique eco-friendly coreactant for luminol chemiluminescence in the sensitive detection of luminol, thiourea dioxide and cobalt ions
Authors: Gao Wenyue , Qi Wenjing , Lai Jianping , Qi Liming , Majeed Saadat , Xu Guobao
Published: December 2014

Thiourea dioxide, a unique reductant that can generate oxygen upon decomposition, has been investigated as an efficient, cost-effective, and stable coreactant.
Influence of dispersive forces on the final shape of a reverse micelle
Authors: León I. , Montero R. , Longarte A. , Fernández José A.
Published: December 2014

Despite that they are comparatively weaker, C–H⋯π interactions have a strong influence on the final shape of molecular aggregates.
Photocatalytic degradation of methylene blue with a nanocomposite system: synthesis, photocatalysis and degradation pathways
Authors: Xia Shengjie , Zhang Lianyang , Pan Guoxiang , Qian Pingping , Ni Zheming
Published: December 2014

Photo-induced electrons tend to migrate to the oxide (ZnO, Al2O3, and Fe2O3) in FeOOH-LDO, while photo-induced holes tend to migrate to ZnFe2O4.
Thermoelectric properties of a Mn substituted synthetic tetrahedrite
Authors: Chetty Raju , D. S. Prem Kumar , Rogl Gerda , Rogl Peter , Bauer Ernst , Michor Herwig , Suwas Satyam , Puchegger Stephan , Giester Gerald , Mallik Ramesh Chandra
Published: December 2014

In this paper, a detailed analysis of atomic displacement parameters for the compound Cu10.6Mn1.4Sb4S13using single crystal XRD has been discussed.
A multinuclear solid state NMR spectroscopic study of the structural evolution of disordered calcium silicate sol–gel biomaterials
Authors: Lin Zhongjie , Jones Julian R. , Hanna John V. , Smith Mark E.
Published: December 2014

Multinuclear solid state NMR, especially 17O, shows the structural evolution of calcium silicate sol–gel bioactive glasses during stabilisation and subsequent reaction with simulated body fluid.
Isothermal transport properties and majority-type defects of BaCo0.70Fe0.22Nb0.08O3−δ
Authors: Lee Taewon , Cho Deok-Yong , Kwon Hyung-Soon , Yoo Han-Ill
Published: December 2014

The increase in Onsager coefficients Lii of mobile O2− and Lhh of h+ with oxygen activity indicates the majority type disorders to be oxygen interstitials and holes h˙. An inflection in log Lhhvs. log aO2 suggests the presence of two types of hole carriers, one itinerant and the other trapped.
Enhanced charge collection with ultrathin AlOxelectron blocking layer for hole-transporting material-free perovskite solar cell
Authors: Wei Huiyun , Shi Jiangjian , Xu Xin , Xiao Junyan , Luo Jianheng , Dong Juan , Lv Songtao , Zhu Lifeng , Wu Huijue , Li Dongmei , Luo Yanhong , Meng Qingbo , Chen Qiang
Published: December 2014

A MIS back contact was constructed by introducing an ultrathin AlOxlayer to improve the performance of HTM-free perovskite solar cells.
Direct oxidative esterification of alcohols and hydration of nitriles catalyzed by a reusable silver nanoparticle grafted onto mesoporous polymelamine formaldehyde (AgNPs@mPMF)
Authors: Ghosh Kajari , Iqubal Md. Asif , Molla Rostam Ali , Mishra Ashutosh , Kamaluddin Kamaluddin , Islam Sk Manirul
Published: December 2014

Oxidative esterification and hydration of nitriles are catalyzed by a newly synthesized AgNPs@mPMF. The catalyst is well characterized and reusable.
Bi-functional NH2-MIL-101(Fe) for one-pot tandem photo-oxidation/Knoevenagel condensation between aromatic alcohols and active methylene compounds
Authors: Wang Dengke , Li Zhaohui
Published: December 2014

Bi-functional NH2-MIL-101(Fe) can efficiently catalyze the one-pot reaction between aromatic alcohols and active methylene compounds via a tandem photo-oxidation/Knoevenagel condensation under visible light and at room temperature.
A theoretical study of the aromaticity in neutral and anionic borole compounds
Authors: Jimenez-Halla J. Oscar C. , Matito Eduard , Solà Miquel , Braunschweig Holger , Hörl Christian , Krummenacher Ivo , Wahler Johannes
Published: December 2014

A theoretical assessment of the degree of (anti)aromaticity in various borole compounds reveals distinct substituent effects.
Stereoselective synthesis of fluorinated aminoglycosyl phosphonates
Authors: Bouwman Sanne , Orru Romano V. A. , Ruijter Eelco
Published: December 2014

We report the highly stereoselective addition of lithiated difluorophosphonates to nitroglycals, providing synthetic access to biologically relevant fluorinated aminoglycosyl phosphonates.
Amphiphilic poly(ethylene glycol)-poly(ε-caprolactone) AB2 miktoarm copolymers for self-assembled nanocarrier systems: synthesis, characterization, and effects of morphology on antitumor activity
Authors: Yoon Kwonhyeok , Kang Han Chang , Li Li , Cho Hana , Park Mi-Kyoung , Lee Eunji , Bae You Han , Huh Kang Moo
Published: December 2014

Miktoarm-structured PEG-PCL2 copolymers with morphological versatility for drug delivery.
Differential structural dynamics and antigenicity of two similar influenza H5N1 virus HA-specific HLA-A*0201-restricted CLT epitopes
Authors: Sun Yeping , Liu Qian
Published: December 2014

The free RI-10 and KI-10 peptides showed bent rather than extended conformations as binding in the cleft of the HLA-A*0201 molecule, and KI-10–HLA-A*0201 processed a much higher flexibility than RI-10–HLA-A*0201.
Ce0.9Gd0.1O2−δ membranes coated with porous Ba0.5Sr0.5Co0.8Fe0.2O3−δ for oxygen separation
Authors: Zhang Chi , Ran Ran , Pham Gia Hung , Zhang Kun , Liu Jian , Liu Shaomin
Published: December 2014

Robust oxygen ion conducting membranes based on doped ceria oxides can be used as oxygen permeation membranes with a short circuit to provide the required electronic conduction.
In situ transmission electron microscopy of Ag-incorporated carbon nanofibers: the effect of Ag nanoparticle size on graphene formation
Authors: Yaakob Yazid , Mohd Yusop Mohd Zamri , Takahashi Chisato , Rosmi Mohamad Saufi , Kalita Golap , Tanemura Masaki
Published: December 2014

We have studied graphene formation from a single Ag-incorporated carbon nanofiber (CNF) during electron emission using in situ transmission electron microscopy.
Detection of NaCN in aqueous media using a calixarene-based fluoroionophore containing ruthenium(ii)-bipyridine as the fluorogenic unit
Authors: Maity Debdeep , Vyas Gaurav , Bhatt Madhuri , Paul Parimal
Published: December 2014

A new fluoroionophore containing a Ru(ii)-bipyridine unit and a calixarene moiety is synthesized. It selectively detects CN− from NaCN in aqueous media; its performance has been tested successfully in real samples.
Antibacterial properties and mechanisms of toxicity of sonochemically grown ZnO nanorods
Authors: Okyay Tugba O. , Bala Rukayya K. , Nguyen Hang N. , Atalay Ramazan , Bayam Yavuz , Rodrigues Debora F.
Published: December 2014

ZnO nanorods produced sonochemically prevented microbial growth, biofilm formation and were non-toxic to mammalian cells.
The synthesis of nano-silver/sodium alginate composites and their antibacterial properties
Authors: Yang Jisheng , Zheng Haicheng , Han Suya , Jiang Zhengdong , Chen Xiang
Published: December 2014

Nano-silver/sodium alginate composites that showed antibacterial activity towards Staphylococcus aureus and Escherichia coli were synthesized by an effective strategy.
Synthesis, crystal structure and MMCT of new cyanide-bridged complexes cis-MII(dppm)2(CN)2(FeIIIX3)2 (M = Ru, Os)
Authors: Wang Yong , Song Jinshuai , Ma Xiao , Xue Zhenzhen , Hu Shengmin , Fu Ruibiao , Li Chunsen , Sheng Tianlu , Wu Xintao
Published: December 2014

Two cyanide precursors and four new cyanide-bridged complexes were synthesized and investigated. The investigations reveal the presence of MMCT from central MII to terminal FeIII in 3–6.
Synthesis and characterization of SiO2/polyaniline/Ag core–shell particles and studies of their electrical and hemolytic properties: multifunctional core–shell particles
Authors: Das Dhaneswar , Choudhury Parag , Bortahkur Lakhyajyoti , Gogoi Bhaskarjyoti , Buragohain Alak Kumar , Dolui Swapan Kumar
Published: December 2014

Three layers of conducting core–shell nanocomposite particles composed of SiO2/polyaniline (PAni)/Ag were prepared in the presence of silicon dioxide (SiO2) in an aqueous solution containing sodium dodecyl benzenesulfonate (SDBS) as a surfactant.
Nanostructured anode materials for lithium ion batteries
Authors: Roy Poulomi , Srivastava Suneel Kumar
Published: December 2014

High-energy consumption in our day-to-day life can be balanced not only by harvesting pollution-free renewable energy sources, but also requires proper storage and distribution of energy. In this regard, lithium ion batteries are currently considered as effective energy storage devices and are involved in the most active research.
Use of ion-selective polymer membranes for an aqueous electrolyte rechargeable Li-ion–polysulphide battery
Authors: Demir-Cakan Rezan , Morcrette Mathieu , Tarascon Jean-Marie
Published: December 2014

An aqueous electrolyte Li-ion–polysulphide batteries by replacing the ceramic membrane with an ion-selective polymer membrane is developed. A 1.5 V average voltage together with a stable cycling profile over 200 cycles at high current density regimes are easily achieved.
The unique synthesis and energetic properties of a novel fused heterocycle: 7-nitro-4-oxo-4,8-dihydro-[1,2,4]triazolo[5,1-d][1,2,3,5]tetrazine 2-oxide and its energetic salts
Authors: Bian Chengming , Dong Xiao , Zhang Xiuhui , Zhou Zhiming , Zhang Man , Li Chuan
Published: December 2014

The unique and facile synthesis of 7-nitro-4-oxo-4,8-dihydro-[1,2,4]triazolo[5,1-d][1,2,3,5]tetrazine 2-oxide (HBCM) and a proposed mechanism for its formation are described.
High-performance lithium–selenium batteries promoted by heteroatom-doped microporous carbon
Authors: Yi Ziqi , Yuan Lixia , Sun Dan , Li Zhen , Wu Chao , Yang Wenjuan , Wen Yanwei , Shan Bin , Huang Yunhui
Published: December 2014

Microporous N-doped carbon confined Se as a cathode material for advanced Li–Se battery.
Panchromatic co-sensitization of porphyrin-sensitized solar cells to harvest near-infrared light beyond 900 nm
Authors: Shiu Jia-Wei , Chang Yen-Cheng , Chan Chien-Yi , Wu Hui-Ping , Hsu Hung-Yu , Wang Chin-Li , Lin Ching-Yao , Diau Eric Wei-Guang
Published: December 2014

We designed a dimeric porphyrin dye based on an efficient push–pull zinc porphyrin with extended π-conjugation so that the light-harvesting ability exhibits a panchromatic feature covering a broad spectral region from 400 nm to 900 nm.
Spin-crossover metal–organic frameworks: promising materials for designing gas sensors
Authors: Bartual-Murgui Carlos , Akou Amal , Thibault Christophe , Molnár Gábor , Vieu Christophe , Salmon Lionel , Bousseksou Azzedine
Published: December 2014

We present a quantitative study of the sensing behavior of micro-patterned gratings based on the metal–organic framework type spin crossover complex Fe(bpac)[Pt(CN)4] (1) in the presence of vapors of various organic compounds.
Lyot‐type flat‐top fibre multiwavelength filter based on polarisation‐diversity loop structure
Authors: Jo Songhyun , Park Kyoungsoo , Lee Yong Wook
Published: December 2014

Proposed is a Lyot‐type flat‐top fibre multiwavelength filter based on a polarisation‐diversity loop structure, which has flat‐top and lossy flat‐top passbands and multiwavelength switching capability. The proposed filter is composed of a polarisation beam splitter, two half‐wave plates (HWPs) and two polarisation‐maintaining fibre (PMF) loops concatenated with a 60° offset between their principal axes. One of the two PMF loops is two times longer than the other. It is able to operate in a flat‐top or a lossy flat‐top band mode at the selected combination of the azimuthal orientation angles of two HWPs. In particular, through the adjustment of the orientation angles of the two HWPs, its multiwavelength channels can be interleaved in each mode, which cannot be realised in a previously reported Lyot‐Sagnac comb filter based on a fibre coupler. In addition to the channel interleaving capability, it provides narrower passbands compared with previous fibre multiwavelength filters with the same order. To make a quantitative comparison between the passband bandwidths of the proposed filter and other filters, both −1 and −3 dB passband bandwidths of a conventional zeroth‐order, a Solc‐type first‐order and the proposed multiwavelength filters were considered and compared with each other.
Utilisation de la tomographie volumique à faisceaux coniques (cone beam) pour le diagnostic et le plan de traitement orthodontique en présence de canine incluse
Authors: Waugh Robert L.
Published: December 2014

Les canines définitives incluses peuvent représenter un défi thérapeutique pour l’orthodontiste. Les radiographies conventionnelles à deux dimensions nous permettent d’apprécier la présence ou l’absence de canines qui n’ont pas évolué sur leur arcade. Elles ne peuvent que nous permettre d’évaluer de manière assez imprécise leur position, et de les faire rentrer dans une classification pour ensuite estimer les difficultés de mise en place. Cet article suggère d’utiliser d’emblée une méthode de tomographie volumique à faisceau conique (CBCT) en trois dimensions comme imagerie diagnostique dans le but d’établir un plan de traitement. Cela dans le but d’éviter d’avoir recours à des méthodes subjectives de classification des canines palatines incluses.
Restricted second random phase approximations and Tamm-Dancoff approximations for electronic excitation energy calculations
Authors: Peng Degao , Yang Yang , Zhang Peng , Yang Weitao
Published: December 2014

In this article, we develop systematically second random phase approximations (RPA) and Tamm-Dancoff approximations (TDA) of particle-hole and particle-particle channels for calculating molecular excitation energies. The second particle-hole RPA/TDA can capture double excitations missed by the particle-hole RPA/TDA and time-dependent density-functional theory (TDDFT), while the second particle-particle RPA/TDA recovers non-highest-occupied-molecular-orbital excitations missed by the particle-particle RPA/TDA. With proper orbital restrictions, these restricted second RPAs and TDAs have a formal scaling of only O(N4). The restricted versions of second RPAs and TDAs are tested with various small molecules to show some positive results. Data suggest that the restricted second particle-hole TDA (r2ph-TDA) has the best overall performance with a correlation coefficient similar to TDDFT, but with a larger negative bias. The negative bias of the r2ph-TDA may be induced by the unaccounted ground state correlation energy to be investigated further. Overall, the r2ph-TDA is recommended to study systems with both single and some low-lying double excitations with a moderate accuracy. Some expressions on excited state property evaluations, such as \documentclass[12pt]{minimal}\begin{document}$\langle \hat{S}^{2}\rangle$\end{document}⟨Ŝ2⟩ are also developed and tested.
Microhydrated aromatic cluster cations: Binding motifs of 4-aminobenzonitrile-(H2O)n cluster cations with n ≤ 4
Authors: Schmies Matthias , Miyazaki Mitsuhiko , Fujii Masaaki , Dopfer Otto
Published: December 2014

Infrared photodissociation (IRPD) spectra of mass-selected 4-aminobenzonitrile-(water)n cluster cations, ABN+-(H2O)n with n ≤ 4, recorded in the N–H and O–H stretch ranges are analyzed by quantum chemical calculations at the M06-2X/aug-cc-pVTZ level to determine the evolution of the initial microhydration process of this bifunctional aromatic cation in its ground electronic state. IRPD spectra of cold clusters tagged with Ar and N2 display higher resolution and allow for a clear-cut structural assignment. The clusters are generated in an electron impact source, which generates predominantly the most stable isomers. The IRPD spectra are assigned to single isomers for n = 1–3. The preferred cluster growth begins with sequential hydration of the two acidic NH protons of the amino group (n = 1–2), which is followed by attachment of secondary H2O ligands hydrogen-bonded to the first-shell ligands (n = 3–4). These symmetric and branched structures are more stable than those with a cyclic H-bonded solvent network. Moreover, in the size range n ≤ 4 the formation of a solvent network stabilized by strong cooperative effects is favored over interior ion hydration which is destabilized by noncooperative effects. The potential of the ABN+-H2O dimer is characterized in detail and supports the cluster growth derived from the IRPD spectra. Although the N–H bonds are destabilized by stepwise microhydration, which is accompanied by increasing charge transfer from ABN+ to the solvent cluster, no proton transfer to the solvent is observed for n ≤ 4.
Photon counting imaging with an electron-bombarded CCD: Towards a parallel-processing photoelectronic time-to-amplitude converter
Authors: Hirvonen Liisa M. , Jiggins Stephen , Sergent Nicolas , Zanda Gianmarco , Suhling Klaus
Published: December 2014

We have used an electron-bombarded CCD for optical photon counting imaging. The photon event pulse height distribution was found to be linearly dependent on the gain voltage. We propose on this basis that a gain voltage sweep during exposure in an electron-bombarded sensor would allow photon arrival time determination with sub-frame exposure time resolution. This effectively uses an electron-bombarded sensor as a parallel-processing photoelectronic time-to-amplitude converter, or a two-dimensional photon counting streak camera. Several applications that require timing of photon arrival, including Fluorescence Lifetime Imaging Microscopy, may benefit from such an approach. A simulation of a voltage sweep performed with experimental data collected with different acceleration voltages validates the principle of this approach. Moreover, photon event centroiding was performed and a hybrid 50% Gaussian/Centre of Gravity + 50% Hyperbolic cosine centroiding algorithm was found to yield the lowest fixed pattern noise. Finally, the camera was mounted on a fluorescence microscope to image F-actin filaments stained with the fluorescent dye Alexa 488 in fixed cells.
Theoretical investigation of the relaxation of the bending mode of ${\rm CH}_2(\tilde{X})$ CH 2(X̃) by collisions with helium
Authors: Ma Lifang , Dagdigian Paul J. , Alexander Millard H.
Published: December 2014

We have earlier determined the dependence on the bending angle of the interaction of the methylene radical (CH2) in its $\tilde{X}\,^3B_1$X̃B13 state with He [L. Ma, P. J. Dagdigian, and M. H. Alexander, J. Chem. Phys. 136, 224306 (2012)]. By integration over products of the bending vibrational wave function, in a quantum close-coupled treatment we have calculated cross sections for the ro-vibrational relaxation of ${\rm CH}_2(\tilde{X})$ CH 2(X̃). Specifically, we find that cross sections for a loss of one vibrational quantum (vb = 2 → 1 and 1 → 0) are roughly two orders of magnitude smaller, and those for a loss of two vibrational quanta (vb = 2 → 0) four orders of magnitude smaller, than those for pure rotational relaxation. In addition, no clear cut dependence on the energy gap is seen.
High internal quantum efficiency ultraviolet to green luminescence peaks from pseudomorphic m-plane Al1−xInxN epilayers grown on a low defect density m-plane freestanding GaN substrate
Authors: Chichibu S. F. , Hazu K. , Furusawa K. , Ishikawa Y. , Onuma T. , Ohtomo T. , Ikeda H. , Fujito K.
Published: December 2014

Structural and optical qualities of half-a-μm-thick m-plane Al1−xInxN epilayers grown by metalorganic vapor phase epitaxy were remarkably improved via coherent growth on a low defect density m-plane freestanding GaN substrate prepared by hydride vapor phase epitaxy. All the epilayers unexceptionally suffer from uniaxial or biaxial anisotropic in-plane stress. However, full-width at half-maximum values of the x-ray ω-rocking curves were nearly unchanged as the underlayer values being 80 ∼ 150 arc sec for (101¯0) and (101¯2) diffractions with both ⟨0001⟩ and ⟨112¯0⟩ azimuths, as long as pseudomorphic structure was maintained. Such Al1−xInxN epilayers commonly exhibited a broad but predominant luminescence peak in ultraviolet (x ≤ 0.14) to green (x = 0.30) wavelengths. Its equivalent value of the internal quantum efficiency at room temperature was as high as 67% for x = 0.14 and 44% for x = 0.30. Because its high-energy cutoff commonly converged with the bandgap energy, the emission peak is assigned to originate from the extended near-band-edge states with strong carrier localization.
Experimental and theoretical studies of the structural and electronic properties of vanadium–benzene sandwich clusters and their anions: VnBzn0/− (n = 1–5) and VnBzn−10/− (n = 2–5)
Authors: Masubuchi Tsugunosuke , Iwasa Takeshi , Nakajima Atsushi
Published: December 2014

One end open VnBzn− (n = 1–5; Bz = benzene) and both ends open VnBzn−1− (n = 2–5) vanadium–benzene cluster anions were studied using anion photoelectron spectroscopy and density functional calculations. The smaller (n ≤ 3) VnBzn and VnBzn−1 clusters and corresponding anions were found to have structural isomers, whereas full-sandwiched VnBzn+1 clusters preferred to form multiple-decker sandwich structures. Several isomeric V2Bz2 structures were identified theoretically and the anion photoelectron spectra of V2Bz20/− were explained well by the coexistence of two isomeric structures: (1) a V2-core structure sandwiched between benzene molecules and (2) an alternating sandwich structure with the spin state strongly dependent on the structure. The adiabatic electron affinity of both VnBzn and VnBzn−1 was found to increase with the cluster size at larger sizes (n = 4 or 5) and approaches to that of VnBzn+1. The evolution of the structural and electronic properties of VnBzm and VnBzm− (m = n and n − 1) with size is discussed in comparison with VnBzn+1 and VnBzn+1−.
Note: Heterogeneous ice nucleation on silver-iodide-like surfaces
Authors: Fraux Guillaume , Doye Jonathan P. K.
Published: December 2014

We attempt to simulate the heterogeneous nucleation of ice at model silver-iodide surfaces and find relatively facile ice nucleation and growth at the Ag+ terminated basal face, but never see nucleation at the I− terminated basal face or the prism and normal faces. Water molecules strongly adsorb onto the Ag+ terminated face to give a well-ordered hexagonal ice-like bilayer that then acts as a template for further ice growth.
Investigation of the separated region ahead of three-dimensional protuberances on plates and cones in hypersonic flows with laminar boundary layers
Authors: Kumar C. S. , Singh T. , Reddy K. P. J.
Published: December 2014

Heat transfer rate and pressure measurements were made upstream of surface protuberances on a flat plate and a sharp cone subjected to hypersonic flow in a conventional shock tunnel. Heat flux was measured using platinum thin-film sensors deposited on macor substrate and the pressure measurements were made using fast acting piezoelectric sensors. A distinctive hot spot with highest heat flux was obtained near the foot of the protuberance due to heavy vortex activity in the recirculating region. Schlieren flow visualization was used to capture the shock structures and the separation distance ahead of the protrusions was quantitatively measured for varying protuberance heights. A computational analysis was conducted on the flat plate model using commercial computational fluid dynamics software and the obtained trends of heat flux and pressure were compared with the experimental observation. Experiments were also conducted by physically disturbing the laminar boundary layer to check its effect on the magnitude of the hot spot heat flux. In addition to air, argon was also used as test gas so that the Reynolds number can be varied.
Spectral analysis of ship waves in deep water from accurate measurements of the free surface elevation by optical methods
Authors: Gomit Guillaume , Rousseaux Germain , Chatellier Ludovic , Calluaud Damien , David Laurent
Published: December 2014

This paper details the spectral analysis of the waves generated from an experimental study of the water surface elevation around a ship model in a towing tank. The wave pattern is measured with accurate optical methods in deep-water conditions for various Froude numbers. These optical methods allow the entire wave field around the model with a high spatial resolution to be obtained. The quality of the measured surface elevation around the ship model enables us to perform a spectral analysis of the waves generated by a ship. To validate this approach, the experimental spectrum is compared to the fundamental theoretical dispersion relation of the waves generated by a moving perturbation in calm deep water. In a second step, a fundamental decomposition of the wave system is achieved, from which the contribution of the near field, the local flow disturbance, and the contribution of the far field that corresponds to the Kelvin wake system are computed. In addition, the experimental extraction of the dispersion relation provides an estimate of the angle of the cone of the Kelvin wake in the spectral space.
Electronic structure and aromaticity of large-scale hexagonal graphene nanoflakes
Authors: Hu Wei , Lin Lin , Yang Chao , Yang Jinlong
Published: December 2014

With the help of the recently developed SIESTA-pole (Spanish Initiative for Electronic Simulations with Thousands of Atoms) - PEXSI (pole expansion and selected inversion) method [L. Lin, A. García, G. Huhs, and C. Yang, J. Phys.: Condens. Matter 26, 305503 (2014)], we perform Kohn-Sham density functional theory calculations to study the stability and electronic structure of hydrogen passivated hexagonal graphene nanoflakes (GNFs) with up to 11 700 atoms. We find the electronic properties of GNFs, including their cohesive energy, edge formation energy, highest occupied molecular orbital-lowest unoccupied molecular orbital energy gap, edge states, and aromaticity, depend sensitively on the type of edges (armchair graphene nanoflakes (ACGNFs) and zigzag graphene nanoflakes (ZZGNFs)), size and the number of electrons. We observe that, due to the edge-induced strain effect in ACGNFs, large-scale ACGNFs’ edge formation energy decreases as their size increases. This trend does not hold for ZZGNFs due to the presence of many edge states in ZZGNFs. We find that the energy gaps Eg of GNFs all decay with respect to 1/L, where L is the size of the GNF, in a linear fashion. But as their size increases, ZZGNFs exhibit more localized edge states. We believe the presence of these states makes their gap decrease more rapidly. In particular, when L is larger than 6.40 nm, we find that ZZGNFs exhibit metallic characteristics. Furthermore, we find that the aromatic structures of GNFs appear to depend only on whether the system has 4N or 4N + 2 electrons, where N is an integer.
A Cantor multilayer traveling wave applicator for microwave heating: Numerical analysis and design
Authors: Chiadini F. , Diovisalvi A. , Fiumara V. , Scaglione A.
Published: December 2014

A traveling wave applicator particularly suitable for heating low loss materials is described. The applicator consists of a dielectric Cantor multilayer inserted in a single-mode rectangular metallic waveguide. Field localization phenomenon occurring in the multilayer allows high field amplitude (several times the amplitude of the incident field) to be obtained in a load placed at the center of the applicator. Design examples and numerical characterization of an applicator in WR-284 waveguide operating at 2.45 GHz are presented for cylindrical and planar loads. Results show that the proposed applicator can significantly enhance the effectiveness of the heating process.
Effect of high conductivity amorphous InGaZnO active layer on the field effect mobility improvement of thin film transistors
Authors: Trinh Thanh Thuy , Jang Kyungsoo , Dao Vinh Ai , Yi Junsin
Published: December 2014

High mobility thin film transistors (TFTs) with a high conductivity amorphous InGaZnO (a-IGZO) active layer were successfully fabricated. The operation of the high-carrier-IGZO thin film transistor with a Schottky barrier (SB) was proposed and clearly experimentally explained. The switching characteristic of SB-TFT does not rely on the accumulation process but due to the Schottky barrier height control. Leakage current can be reduced by Schottky contact at the source/drain (S/D), while it was as high as the on current so that the switch properties could not achieve in ohmic ones. The a-IGZO SB-TFTs with Ag S/D contact express the high performance with μFE of 20.4 cm2 V−1 s−1, Vth of 5.8 V, and ION/IOFF of 2 × 107 @ VD = 1V. The introduction of operating mechanism for TFTs using high conductivity a-IGZO promises an expansion study for other active layer materials.
Scaling junctionless multigate field-effect transistors by step-doping
Authors: Song Yi , Li Xiuling
Published: December 2014

Conventional junctionless (JL) multigate field-effect transistors (MuGFETs) use extremely scaled and highly doped fins as channels. Such small fins introduce large parasitic resistance as well as performance fluctuation due to fin width variations. The high channel doping significantly reduces bulk carrier mobility, which reduces on-state current and escalates short channel effect related leakage. In this letter, we present a step-doping scheme for the scaling of JL MuGFETs. By employing a two-step-doping profile, with the high doping side near the gate, higher threshold voltage and better off-state performance can be achieved, along with higher on-state current. This opens a route for threshold voltage design and addresses the design optimization for both on-state current and off-state leakage for JL MuGFETs.
Measurement of pulsed-power-driven magnetic fields via proton deflectometry
Authors: Mariscal D. , McGuffey C. , Valenzuela J. , Wei M. S. , Chittenden J. P. , Niasse N. , Presura R. , Haque S. , Wallace M. , Arias A. , Covington A. , Sawada H. , Wiewior P. , Beg F. N.
Published: December 2014

Measuring magnetic field and current distribution in Z-pinch plasma systems is crucial to the validation of Z-pinch theory. In this letter, the demonstration of proton deflectometry to pulsed-power-driven loads at the mega-amp scale is presented, which is capable of making more detailed field maps in high-density regions of plasmas. In this method, a laser-driven, broad-spectrum, MeV-energy proton beam is directed through a pulsed-power-driven plasma system, and the resulting deflections are measured to examine configuration of magnetic fields and to infer the currents that support them. The technique was first demonstrated on simple short-circuit loads, and the results are in excellent agreement with numerical simulations providing reliable estimates of the field and current configurations. It was then applied to a more complex—radial foil—plasma load. The measurements show unexpected proton deflections that exhibit the complexity of the plasma load and that with further analysis will reveal details about the current and magnetic field topology in this complex configuration.
Research Update: Spatially resolved mapping of electronic structure on atomic level by multivariate statistical analysis
Authors: Belianinov Alex , Ganesh Panchapakesan , Lin Wenzhi , Sales Brian C. , Sefat Athena S. , Jesse Stephen , Pan Minghu , Kalinin Sergei V.
Published: December 2014

Atomic level spatial variability of electronic structure in Fe-based superconductor FeTe0.55Se0.45 (Tc = 15 K) is explored using current-imaging tunneling-spectroscopy. Multivariate statistical analysis of the data differentiates regions of dissimilar electronic behavior that can be identified with the segregation of chalcogen atoms, as well as boundaries between terminations and near neighbor interactions. Subsequent clustering analysis allows identification of the spatial localization of these dissimilar regions. Similar statistical analysis of modeled calculated density of states of chemically inhomogeneous FeTe1−xSex structures further confirms that the two types of chalcogens, i.e., Te and Se, can be identified by their electronic signature and differentiated by their local chemical environment. This approach allows detailed chemical discrimination of the scanning tunneling microscopy data including separation of atomic identities, proximity, and local configuration effects and can be universally applicable to chemically and electronically inhomogeneous surfaces.
Large reversible magnetocaloric effect in antiferromagnetic HoNiSi compound
Authors: Zhang Hu , Wu YuanYuan , Long Yi , Wang HuaSheng , Zhong KeXiang , Hu FengXia , Sun JiRong , Shen BaoGen
Published: December 2014

Magnetic properties and magnetocaloric effect (MCE) of intermetallic HoNiSi compound have been investigated systematically. It is found that HoNiSi exhibits antiferromagnetic (AFM) state below the Néel temperature TN of 3.8 K, which is quite close to the liquid helium temperature (4 K). A giant MCE without hysteresis loss is observed in HoNiSi, which is related to the field-induced first-order metamagnetic transition from AFM to ferromagnetic states. For a magnetic field change of 2 T, the maximum values of magnetic entropy change (−ΔSM) and adiabatic temperature change (ΔTad) are 17.5 J/kg K and 4.5 K, respectively. In addition, HoNiSi presents both large values of positive and negative ΔSM for the low field changes, i.e., the maximum −ΔSM values are 9.2 J/kg K around TN and −7.2 J/kg K below TN for the field changes of 1 and 0.5 T, respectively. A universal curve of ΔSM is successfully constructed by using phenomenological procedure, proving the applicability of universal ΔSM curve for AFM materials. The giant reversible MCE for relatively low magnetic field change makes HoNiSi attractive candidate for magnetic refrigerant materials around liquid helium temperature.
High quality HfO2/p-GaSb(001) metal-oxide-semiconductor capacitors with 0.8 nm equivalent oxide thickness
Authors: Barth Michael , Bruce Rayner G. , McDonnell Stephen , Wallace Robert M. , Bennett Brian R. , Engel-Herbert Roman , Datta Suman
Published: December 2014

We investigate in-situ cleaning of GaSb surfaces and its effect on the electrical performance of p-type GaSb metal-oxide-semiconductor capacitor (MOSCAP) using a remote hydrogen plasma. Ultrathin HfO2 films grown by atomic layer deposition were used as a high permittivity gate dielectric. Compared to conventional ex-situ chemical cleaning methods, the in-situ GaSb surface treatment resulted in a drastic improvement in the impedance characteristics of the MOSCAPs, directly evidencing a much lower interface trap density and enhanced Fermi level movement efficiency. We demonstrate that by using a combination of ex-situ and in-situ surface cleaning steps, aggressively scaled HfO2/p-GaSb MOSCAP structures with a low equivalent oxide thickness of 0.8 nm and efficient gate modulation of the surface potential are achieved, allowing to push the Fermi level far away from the valence band edge high up into the band gap of GaSb.
Substrate-dependent thermal conductivity of aluminum nitride thin-films processed at low temperature
Authors: Belkerk B. E. , Bensalem S. , Soussou A. , Carette M. , Al Brithen H. , Djouadi M. A. , Scudeller Y.
Published: December 2014

In this paper, we report on investigation concerning the substrate-dependent thermal conductivity (k) of Aluminum Nitride (AlN) thin-films processed at low temperature by reactive magnetron sputtering. The thermal conductivity of AlN films grown at low temperature (<200 °C) on single-crystal silicon (Si) and amorphous silicon nitride (SiN) with thicknesses ranging from 100 nm to 4000 nm was measured with the transient hot-strip technique. The k values for AlN films on SiN were found significantly lower than those on Silicon consistently with their microstructures revealed by X-ray diffraction, high resolution scanning electron microscopy, and transmission electron microscopy. The change in k was due to the thermal boundary resistance found to be equal to 10 × 10−9 Km2W−1 on SiN against 3.5 × 10−9 Km2W−1 on Si. However, the intrinsic thermal conductivity was determined with a value as high as 200 Wm−1K−1 whatever the substrate.
Flexoelectricity in an oxadiazole bent-core nematic liquid crystal
Authors: Kaur S. , Panov V. P. , Greco C. , Ferrarini A. , Görtz V. , Goodby J. W. , Gleeson H. F.
Published: December 2014

We have determined experimentally the magnitude of the difference in the splay and bend flexoelectric coefficients, |e1 − e3|, of an oxadiazole bent-core liquid crystal by measuring the critical voltage for the formation of flexodomains together with their wave number. The coefficient |e1 − e3| is found to be a factor of 2–3 times higher than in most conventional calamitic nematic liquid crystals, varying from 8 pCm−1 to 20 pCm−1 across the ∼60 K—wide nematic regime. We have also calculated the individual flexoelectric coefficients e1 and e3, with the dipolar and quadrupolar contributions of the bent-core liquid crystal by combining density functional theory calculations with a molecular field approach and atomistic modelling. Interestingly, the magnitude of the bend flexoelectric coefficient is found to be rather small, in contrast to common expectations for bent-core molecules. The calculations are in excellent agreement with the experimental values, offering an insight into how molecular parameters contribute to the flexoelectric coefficients and illustrating a huge potential for the prediction of flexoelectric behaviour in bent-core liquid crystals.
Synthesis of Highly Water-Soluble Adamantyl Phosphoinositide Derivatives
Authors: Gregory Mark , Yin Meng-Xin , McConville Malcolm J. , Williams Eleanor , Bullock Alex N. , Conway Stuart J. , Burgess Antony W. , Catimel Bruno , Holmes Andrew B.
Published: December 2014

Phosphatidylinositol phosphates are key regulators of cell signalling pathways and membrane trafficking in eukaryotic cells, and there is a need for new chemical probes to further understand how they interact with lipid-binding proteins. Here, the synthesis of phosphatidylinositol phosphate analogues containing adamantyl carboxylic ester groups, in place of the natural lipid side chains, is described. These derivatives are considerably more soluble in water than analogues containing other lipid side chains and do not form large aggregates such as liposomes or micelles. These adamantyl analogues bind to known phosphoinositide-binding proteins with similar affinities to native ligands and will facilitate future studies on the substrate specificities of these proteins involving cocrystallisation studies with proteins.
A survey of livestock losses caused by Asiatic wild dogs, leopards and tigers, and of the impact of predation on the livelihood of farmers in Bhutan
Authors: Katel Om N. , Pradhan Saran , Schmidt-Vogt Dietrich
Published: December 2014

Context Human–wildlife conflict is a serious impediment to conservation efforts worldwide. This is also true for Bhutan, where dholes or wild dogs (Cuon alpinus), leopards and tigers constitute a menace to the livestock of farmers. Livestock losses as a result depredation by wild animals is a major cause of conflict with farmers, threatening their livelihoods, and causing a negative attitude that can lead to retaliatory killing of wildlife. Aims To survey farmers and document their livestock losses, as well as estimate the value of livestock losses and the causes of predation. Methods We conducted a questionnaire survey of 147 farming households in three zones of the Toebesa subdistrict of Punakha, Bhutan. Respondents provided information on their farming activities and household income, as well as on predation losses of cattle, goats, pigs, chickens, cats and dogs caused by dholes, tigers and leopards between 2006 and 2010. Additional data on livestock populations and losses were obtained from the Renewable Natural Resources Census at the subdistrict. Key Results The results showed that dholes kill more livestock than do common leopards and tigers, the two other known livestock predators in the study area. The annual average number of livestock killed by dholes was 0.19 per household, which is ~2% of the total household income and ~11% of income derived from livestock. Annual income from livestock contributes 21% to the total annual revenues of farmers in the study area. The practice of allowing cattle to freely range, unguarded, in the forest was identified as the primary factor causing high livestock losses to dholes. Conclusions Dholes are the principal predator in the study area and have a significant negative impact on farmers’ livelihoods through loss of income. Our findings that livestock depredation by dholes was significantly less inside the villages and on farmed plots than in the forests showed that the problem can be addressed by improved husbandry practices. Implications To reduce livestock depredation by dholes, incentives or strategies should be investigated for encouraging farmers to let their livestock graze inside and around villages, which includes stall feeding and tethering, and to cooperatively shepherd them in the forests during the day.