bluuebunny/crossref_metadata_2025_split huggingface dataset:
First‐Principles Study on the 1T Phase of GaX (X=S, Se) Monolayers
Authors: Zhou Jia , Zhuang Houlong L. 
Published: November 2016

AbstractTwo‐dimensional (2D) semiconductors gallium monochalcogenides GaX (X=S, Se), normally possessing the 2H structure, attract great research interest due to their potential applications as future electronical and optical devices. In this paper, we for the first time studied the structural properties and electronic structure of another possible phase of the GaX monolayers, namely the 1T phase by means of first‐principles calculations. We found that the 1T phase of the GaX monolayers remain semiconducting with smaller band gaps compared to their 2H counterparts. In addition, we showed that the transition between the 1T and 2H phases for the GaX monolayers is significantly easier than for the MoS2 monolayer. The 1T phase of the GaX monolayers exhibits a slightly higher energy than the 2H phase and the phonon spectrum confirms its dynamical stability; however the relative stability could be straightforwardly switched by introducing mechanical strains or p‐type doping. This work opens up a new route for controlling the phase transition between the 1T and 2H phases of the GaX monolayers and will be benefit for their future applications in optoelectronic devices.
Approachable Way to Synthesize 3D Silica Hollow Nanospheres with Mesoporous Shells via Simple Template‐Assisted Technique
Authors: Abdelaal Haitham Mohammad , Harbrecht Bernd 
Published: November 2016

Abstract3D porous silica hollow nanospheres (PSHNSs) with mesoporous walls have been successfully fabricated by simple template‐assisted method using tetraethoxysilan (TEOS) as a silica precursor and glucose‐derived functionalized carbon spheres (FCSs) as hard templates. Template‐precursor hybrid composite spheres were formed by direct adsorption of the silica precursor onto the surface layers of the FCSs. After etching of the template via oxidation in air, free standing 3D PSHNSs were obtained. The resulting PSHNSs were ∼ 85 nm in size as indicated by both SEM and TEM images. BET analysis has shown that nanospheres to have a large specific surface area up to 400 m2/g. The fascinating structure of 3D PSHNSs may provide more accessibility and good contacts with reactants that is very important in the fields of catalysts, gas adsorbent, heavy metals removal, electronics, and so on.
Novel Domino Routes for the Synthesis of N‐Heterocycles via Reductive Cyclization of β‐(N‐2‐Nitroaryl)‐α,β‐unsaturated Ketones
Authors: Vodnala Nagaraju , Kaldhi Dhananjaya , Gupta Richa , Linthoinganbi R. K. , Putta V. P. Rama Kishore , Polina Saibabu , Singh Virender , Malakar Chandi C. 
Published: November 2016

AbstractAn efficient and operational simple synthetic method has been developed towards the preparation of important biologically active N‐heterocyclic scaffolds. The present method associated with the use of inexpensive and easy to prepare nitroaromatics as substrates. The key step of the developed protocol rely on the reductive cyclization of nitro‐compounds in presence of Mo(VI) as catalyst and phosphine as deoxygenative agent. It has been shown that depending on the nature of substrates two distinct heterocyclic scaffolds such as 1‐hydroxyphenazines and quinoxalines can be synthesized in high yields. It is envisaged that both 1‐hydroxyphenazines and quinoxalines exhibits potential pharmacological profiles and offers novel landscapes in medicinal chemistry, and drug discovery research. Considering the limited number of methods available in literature for the preparation of 1‐hydroxyphenazines, the present method serves an efficient and economical alternative towards this scaffold.
Combined Solution‐ and Magic Angle Spinning NMR Reveals Regions of Distinct Dynamics in Amyloid β Protofibrils
Authors: Lendel Christofer , Sparrman Tobias , Mayzel Maxim , Andersson C. Evalena , Karlsson Göran , Härd Torleif 
Published: November 2016

AbstractSolid‐state magic angle spinning (MAS) NMR has emerged as an important tool for investigations of protein aggregates and amyloid fibrils, which are not accessible for solution NMR experiments. We recently presented a structural model for amyloid β (Aβ) protofibrils based on MAS‐NMR data. The absence of resonances for the N‐terminus of Aβ in this dataset suggested that it might be disordered and more dynamic than the structural core. We here provide evidence for a distinct dynamic regime in the N‐terminal part of the peptide and show that the structural characteristics of this region can be elucidated using 13C‐detected solution NMR. The results shed more light on the structural properties of pre‐fibrillar Aβ species and demonstrate the potential of combining MAS and solution NMR experiments for the characterization of structure and dynamics of complex protein assemblies.
Specific Intermolecular Interactions by the Localized π‐Electrons in C70‐fullerene
Authors: Kubo Takuya , Kanao Eisuke , Matsumoto Takatoshi , Naito Toyohiro , Sano Tomoharu , Yan Mingdi , Otsuka Koji 
Published: November 2016

AbstractWe report the specific intermolecular interactions on C70‐fullerene. A newly developed silica‐monolithic capillary column, which was modified with C70‐fullerene via a particular thermal reactive molecule, perfluorophenyl azide, provided a selective retention behavior toward polycyclic aromatic hydrocarbons in liquid chromatography. Especially, a hemispherical molecule, i. e., corannulene, was significantly retained on this C70‐fullerene column. Results of the computer simulation of the molecules suggested that the specific interaction might be caused by the deflection of the π‐electrons‐density in C70‐fullerene. Furthermore, the absorption spectrometry also indicated that the absorption spectra of C70‐fullerene with/without corannulene were dramatically changed by the specific interaction, whereas no spectrum differences were observed with C60‐fullerene.
Energy consumption analysis of data stream processing: a benchmarking approach
Authors: Dayarathna Miyuru , Li Yuanlong , Wen Yonggang , Fan Rui 
Published: November 2016

SummaryEnergy efficiency of data analysis systems has become a very important issue in recent times because of the increasing costs of data center operations. Although distributed streaming workloads have increasingly been present in modern data centers, energy‐efficient scheduling of such applications remains as a significant challenge. In this paper, we conduct an energy consumption analysis of data stream processing systems in order to identify their energy consumption patterns. We follow stream system benchmarking approach to solve this issue. Specifically, we implement Linear Road benchmark on six stream processing environments (S4, Storm, ActiveMQ, Esper, Kafka, and Spark Streaming) and characterize these systems' performance on a real‐world data center. We study the energy consumption characteristics of each system with varying number of roads as well as with different types of component layouts. We also use a microbenchmark to capture raw energy consumption characteristics. We observed that S4, Esper, and Spark Streaming environments had highest average energy consumption efficiencies compared with the other systems. Using a neural networkbased technique with the power/performance information gathered from our experiments, we developed a model for the power consumption behavior of a streaming environment. We observed that energy‐efficient execution of streaming application cannot be specifically attributed to the system CPU usage. We observed that communication between compute nodes with moderate tuple sizes and scheduling plans with balanced system overhead produces better power consumption behaviors in the context of data stream processing systems. Copyright © 2016 John Wiley & Sons, Ltd.
Behaviour of RHS beam‐to‐column bolted steel connections
Authors: dos Santos Gabriel Barros , de Miranda Batista Eduardo , de Araújo Afonso Henrique Mascarenhas 
Published: November 2016

AbstractThe connection concept is a key point in the design of steel structures which affects fabrication, erection procedures and the final costs. Welding processes have been extensively used for tubular trussed girders by combining shop welding with bolted flange solutions to facilitate straightforward connection procedures during erection. The present research addresses the behaviour of innovative beam‐to‐column bolted connections for steel rectangular hollow sections (RHS) which combine simplicity in fabrication and erection, favourable aesthetics for the case of visible structures and structural effectiveness. Four cruciform prototypes were tested under a static non‐reversible bending moment with different bolted conditions: i) non‐friction and ii) friction connection. The experimental results show that the proposed geometry with friction connections is able to develop a rigid elastic moment–rotation response up to usual loading conditions.
Curved directly glazed steel structure
Authors: Helbig Thorsten , Kamp Florian , Schieber Roman , Oppe Matthias , Torsing Rob , Kieft Ralph 
Published: November 2016

AbstractZJA Zwarts & Jansma Architects have designed a new light rail departure station in The Hague, The Netherlands. The spatial roof structure of the station is made of rolled steel rectangular hollow sections arranged in two independent layers rigidly connected to each other. A glass envelope covering the roof structure matches the contours of the steel exactly. Since the diamond‐shaped glass panes could only be attached to the outer layer of the steel grid, the panes (with edge lengths of approx. 1.30 m) are supported on two sides only. When optimizing the overall geometry, the double‐curvature area at the nose of the roof structure became a special focus. Knippers Helbig Advanced Engineering has managed to minimize the deviation of each single glass pane from the single‐curvature geometry to a maximum out‐of‐plane deformation of only 3 mm. Therefore, the project is a great example of how geometry development can influence structural design and enable new approaches.
Unwinding the twister ribozyme: from structure to mechanism
Authors: Gebetsberger Jennifer , Micura Ronald 
Published: November 2016

The twister ribozyme motif has been identified by bioinformatic means very recently. Currently, four crystal structures with ordered active sites together with a series of chemical and biochemical data provide insights into how this RNA accomplishes its efficient self‐cleavage. Of particular interest for a mechanistic proposal are structural distinctions observed in the active sites that concern the conformation of the U‐A cleavage site dinucleotide (in‐line alignment of the attacking 2′‐O nucleophile to the to‐be‐cleaved PO5′ bond versus suboptimal alignments) as well as the presence/absence of Mg2+ ions at the scissile phosphate. All structures support the notion that an active site guanine and the conserved adenine at the cleavage site are important contributors to cleavage chemistry, likely being involved in general acid base catalysis. Evidence for innersphere coordination of a Mg2+ ion to the pro‐S nonbridging oxygen of the scissile phosphate stems from two of the four crystal structures. Together with the finding of thio/rescue effects for phosphorothioate substrates, this suggests the participation of divalent ions in the overall catalytic strategy employed by twister ribozymes. In this context, it is notable that twister retains wild‐type activity when the phylogenetically conserved stem P1 is deleted, able to cleave a single nucleotide only. WIREs RNA 2017, 8:e1402. doi: 10.1002/wrna.1402This article is categorized under:

RNA Structure and Dynamics > RNA Structure, Dynamics, and Chemistry
RNA-Based Catalysis > RNA-Mediated Cleavage
Regulatory RNAs/RNAi/Riboswitches > Riboswitches
Brexpiprazole in patients with schizophrenia: overview of short- and long-term phase 3 controlled studies
Authors: Marder Stephen R. , Hakala Mika Juhani , Josiassen Mette Krog , Zhang Peter , Ouyang John , Weiller Emmanuelle , Weiss Catherine , Hobart Mary 
Published: November 2016

ObjectiveReview efficacy, safety, and tolerability of brexpiprazole in patients with schizophrenia in short- and long-term phase 3 studies.MethodsPatients experiencing a current exacerbation of schizophrenia received brexpiprazole in two fixed-dose (2 and 4 mg), 6-week, placebo-controlled studies, one flexible-dose (2–4 mg), 6-week, placebo-control and active reference study, and one fixed-dose (1–4 mg), 52-week, placebo-controlled maintenance study.ResultsThe efficacy of brexpiprazole was demonstrated in the two short-term fixed-dose studies with statistically significant improvements from baseline in Positive and Negative Syndrome Scale (PANSS) total score compared with placebo. In the flexible-dose short-term study, treatment with brexpiprazole resulted in numerically greater improvements in PANSS total score than with placebo that approached statistical significance (p=0.056). A meta-analysis of these short-term studies showed a mean change in PANSS total score of −20.1, reflecting a clinically meaningful reduction in symptoms. In the maintenance study, brexpiprazole had a beneficial effect relative to placebo on time to exacerbation of psychotic symptoms/impending relapse (p<0.0001). For all studies, brexpiprazole demonstrated clinically meaningful treatment effects on the Personal and Social Performance scale. Brexpiprazole had a favourable safety profile, with a relatively low prevalence of activating and sedating side effects. Weight gain in the short-term studies was ~1 kg greater than placebo. No safety concerns were observed with brexpiprazole in laboratory values, electrocardiogram, or vital signs.ConclusionsOverall, the results indicate brexpiprazole, used either short-term or as part of a long-term maintenance treatment programme, is an efficacious therapy option in adults with schizophrenia and has a favourable safety/tolerability profile.
“¿Quién es? ¿Quién es?”: Revisiting the Racial Context of the Billy the Kid Legend
Authors: STERBA CHRISTOPHER M. 
Published: November 2016

Billy the Kid spoke his last words in Spanish. Calling out “¿Quién es? ¿Quién es?” before he was killed by Sheriff Pat Garrett, the young outlaw's final moments signal his diverse ethnic context. This article examines the Kid's close contact with the Southwest's communities of color – New Mexico's Mescalero Apache Indians, African American soldiers, and Hispano farmers – and why these communities have been removed from countless popular representations of the Kid's story. Their omission has helped to perpetuate a uniquely Western and white American ideal of individualism and served to legitimize a libertarian and ahistorical ideal of violence: the rebellion of an outlaw who defies the rest of his society and his times.
Child Maintenance and Social Security Interactions: the Poverty Reduction Effects in Model Lone Parent Families across Four Countries
Authors: SKINNER CHRISTINE , MEYER DANIEL R. , COOK KAY , FLETCHER MICHAEL 
Published: November 2016

AbstractIn most developed countries, children in lone parent families face a high risk of poverty. A partial solution commonly sought in English-speaking nations is to increase the amounts of private child maintenance paid by the other parent. However, where lone parent families are in receipt of social assistance benefits, some countries hold back a portion of the child maintenance to reduce public expenditures. This partial ‘pass-through’ treats child maintenance as a substitute for cash benefits which conceivably neutralises its poverty reduction potential. Such neutralising effects are not well understood and can be obscured further when more subtle interactions between child maintenance systems and social security systems operate. This research makes a unique contribution to knowledge by exposing the hidden interaction effects operating in similar child maintenance systems across four countries: the United Kingdom, United States (Wisconsin), Australia and New Zealand. We found that when child maintenance is counted as income in calculating benefit entitlements, it can reduce the value of cash benefits. Using model lone parent families with ten different employment and income scenarios, we show how the poverty reduction potential of child maintenance is affected by whether it is treated as a substitute for, or a complement to, cash benefits.
Commodification of natural resources and forest ecosystem services: examining implications for forest protection
Authors: KOPNINA HELEN 
Published: November 2016

SUMMARYThrough the commodification of nature, the framing of the environment as a ‘natural resource’ or ‘ecosystem service’ has become increasingly prominent in international environmental governance. The economic capture approach is promoted by international organizations such as the United Nations Environmental Program (UNEP) through Reducing Emissions from Deforestation and Forest Degradation (REDD), Payments for Ecosystem Services (PES) and The Economics of Ecosystems and Biodiversity (TEEB). This paper will inquire as to how forest protection is related to issues of social and ecological justice, exploring whether forest exploitation based on the top-down managerial model fosters an unequitable distribution of resources. Both top-down and community-based approaches to forest protection will be critically examined and a more inclusive ethical framework to forest protection will be offered. The findings of this examination indicate the need for a renewed focus on existing examples of good practice in addressing both social and ecological need, as well as the necessity to address the less comfortable problem of where compromise appears less possible. The conclusion argues for the need to consider ecological justice as an important aspect of more socially orientated environmental justice for forest protection.
Golden Rice: no progress to be seen. Do we still need it?
Authors: Wesseler Justus , Zilberman David 
Published: November 2016

AbstractIn the December 2014 issue of Environment and Development Economics, we published the article, ‘The economic power of the Golden Rice opposition’ by Wesseler and Zilberman. The paper generated substantial interest, not only in academia but also among civil society groups. In this note, we address some of the concerns that have been raised about our results. Our main conclusion remains that misguided regulations in the case of Golden Rice have cost millions of healthy life years and billions of dollars.
Myelinosome formation represents an early stage of oligodendrocyte damage in multiple sclerosis and its animal model
Authors: Romanelli Elisa , Merkler Doron , Mezydlo Aleksandra , Weil Marie-Theres , Weber Martin S. , Nikić Ivana , Potz Stephanie , Meinl Edgar , Matznick Florian E. H. , Kreutzfeldt Mario , Ghanem Alexander , Conzelmann Karl-Klaus , Metz Imke , Brück Wolfgang , Routh Matthew , Simons Mikael , Bishop Derron , Misgeld Thomas , Kerschensteiner Martin 
Published: November 2016

AbstractOligodendrocyte damage is a central event in the pathogenesis of the common neuroinflammatory condition, multiple sclerosis (MS). Where and how oligodendrocyte damage is initiated in MS is not completely understood. Here, we use a combination of light and electron microscopy techniques to provide a dynamic and highly resolved view of oligodendrocyte damage in neuroinflammatory lesions. We show that both in MS and in its animal model structural damage is initiated at the myelin sheaths and only later spreads to the oligodendrocyte cell body. Early myelin damage itself is characterized by the formation of local myelin out-foldings—‘myelinosomes’—, which are surrounded by phagocyte processes and promoted in their formation by anti-myelin antibodies and complement. The presence of myelinosomes in actively demyelinating MS lesions suggests that oligodendrocyte damage follows a similar pattern in the human disease, where targeting demyelination by therapeutic interventions remains a major open challenge.
Universal domain wall dynamics under electric field in Ta/CoFeB/MgO devices with perpendicular anisotropy
Authors: Lin Weiwei , Vernier Nicolas , Agnus Guillaume , Garcia Karin , Ocker Berthold , Zhao Weisheng , Fullerton Eric E. , Ravelosona Dafiné 
Published: November 2016

AbstractElectric field effects in ferromagnetic metal/dielectric structures provide a new route to control domain wall dynamics with low-power dissipation. However, electric field effects on domain wall velocities have only been observed so far in the creep regime where domain wall velocities are low due to strong interactions with pinning sites. Here we show gate voltage modulation of domain wall velocities ranging from the creep to the flow regime in Ta/Co40Fe40B20/MgO/TiO2 structures with perpendicular magnetic anisotropy. We demonstrate a universal description of the role of applied electric fields in the various pinning-dependent regimes by taking into account an effective magnetic field being linear with the electric field. In addition, the electric field effect is found to change sign in the Walker regime. Our results are consistent with voltage-induced modification of magnetic anisotropy. Our work opens new opportunities for the study and optimization of electric field effect at ferromagnetic metal/insulator interfaces.
Delayed wound healing after tooth extraction and self-reported kyphosis in Japanese men and women
Authors: Taguchi Akira , Kamimura Mikio , Nakamura Yukio , Sugino Noriyuki , Ichinose Akira , Maezumi Hisayoshi , Fukuzawa Takashi , Ashizawa Ryouhei , Takahara Kenji , Gushiken Susumu , Mukaiyama Keijiro , Ikegami Shota , Uchiyama Shigeharu , Kato Hiroyuki 
Published: November 2016

AbstractIt is unclear whether osteoporosis itself is a main risk factor for delayed wound healing after tooth extraction in humans. In this study, we evaluated the association between experience of delayed wound healing after last tooth extraction and self-reported kyphosis, with the possibility of having vertebral fractures, in Japanese patients. Among the 1,504 patients who responded to the structured questionnaire survey, 518 patients (134 men and 384 women) aged 55–97 years finally participated in this study. Patients who self-reported mild-moderate kyphosis were more likely to have problematic delayed wound healing after last tooth extraction than those who reported severe kyphosis (odds ratio [OR] 4.98; 95% confidence interval [CI], 1.86–13.38 and OR 2.30; 95% CI, 0.52–10.22, respectively) (p for trend = 0.005). Japanese patients with vertebral fractures may have a higher risk of having problematic delayed wound healing after tooth extraction.
Listeria monocytogenes sequence type 1 is predominant in ruminant rhombencephalitis
Authors: Dreyer Margaux , Aguilar-Bultet Lisandra , Rupp Sebastian , Guldimann Claudia , Stephan Roger , Schock Alexandra , Otter Arthur , Schüpbach Gertraud , Brisse Sylvain , Lecuit Marc , Frey Joachim , Oevermann Anna 
Published: November 2016

AbstractListeria (L.) monocytogenes is an opportunistic pathogen causing life-threatening infections in diverse mammalian species including humans and ruminants. As little is known on the link between strains and clinicopathological phenotypes, we studied potential strain-associated virulence and organ tropism in L. monocytogenes isolates from well-defined ruminant cases of clinical infections and the farm environment. The phylogeny of isolates and their virulence-associated genes were analyzed by multilocus sequence typing (MLST) and sequence analysis of virulence-associated genes. Additionally, a panel of representative isolates was subjected to in vitro infection assays. Our data suggest the environmental exposure of ruminants to a broad range of strains and yet the strong association of sequence type (ST) 1 from clonal complex (CC) 1 with rhombencephalitis, suggesting increased neurotropism of ST1 in ruminants, which is possibly related to its hypervirulence. This study emphasizes the importance of considering clonal background of L. monocytogenes isolates in surveillance, epidemiological investigation and disease control.