bluuebunny/crossref_metadata_2025_split huggingface dataset:
Twisted Charge‐Transfer Antennae for Ultra‐Bright Terbium(III) and Dysprosium(III) Bioprobes
Authors: Bui Anh Thy , Roux Amandine , Grichine Alexei , Duperray Alain , Andraud Chantal , Maury Olivier 
Published: January 2018

AbstractThe design of original twisted charge transfer antennae in which a non‐planar geometry is enforced thanks to one or two bulky ortho‐Me substituents allows us to prepare the corresponding ultra‐bright TbIII and DyIII bioprobes. The brightness of the TbIII derivative compares well with that of the benchmark Tb‐Lumi4 complex. The first bio‐imaging experiments with a DyIII luminescent bioprobe are also reported.
Ligand‐ and Metal‐Based Reactivity of a Neutral Ruthenium Diolefin Diazadiene Complex: The Innocent, the Guilty and the Suspicious
Authors: Sinha Vivek , Pribanic Bruno , de Bruin Bas , Trincado Monica , Grützmacher Hansjörg 
Published: January 2018

AbstractCoordination of the diazadiene diolefin ligand (trop2dad) to ruthenium leads to various complexes of composition [Ru(trop2dad)(L)]. DFT studies indicate that the closed‐shell singlet (CSS), open‐shell singlet (OSS), and triplet electronic structures of this species are close in energy, with the OSS spin configuration being the lowest in energy for all tested functionals. Singlet‐state CASSCF calculations revealed a significant multireference character for these complexes. The closed‐shell singlet wavefunction dominates, but these complexes have a significant (≈8–16 %) open‐shell singlet [d7‐RuI(L)(trop2dad.−)] contribution mixed into the ground state. In agreement with their ambivalent electronic structure, these complexes reveal both metal‐ and ligand‐centered reactivity. Most notable are the reactions with AdN3, diazomethane, and a phosphaalkyne leading to scission of the C−C bond of the diazadiene (dad) moiety of the trop2dad ligand, resulting in net (formal) nitrene, carbene, or P≡C insertion in the dad C−C bond, respectively. Supporting DFT studies revealed that several of the ligand‐based reactions proceed via low‐barrier radical‐type pathways, involving the dad.− ligand radical character of the OSS or triplet species.
One‐Pot Synthesis of Functionalized Fused Furans via a BODIPY‐Catalyzed Domino Photooxygenation
Authors: Mauger Audrey , Farjon Jonathan , Nun Pierrick , Coeffard Vincent 
Published: January 2018

AbstractSix‐membered ring fused furans containing a tetrasubstituted tertiary carbon were prepared in an unprecedented one‐pot BODIPY‐catalyzed domino photooxygenation/reduction process. A series of functionalized furans was synthesized from readily available 2‐alkenylphenols and mechanistic studies were performed to account for the domino photosensitized oxygenation.
Chiral Phosphine–Phosphite Ligands in Asymmetric Gold Catalysis: Highly Enantioselective Synthesis of Furo[3,4‐d]‐Tetrahydropyridazine Derivatives through [3+3]‐Cycloaddition
Authors: Du Qingwei , Neudörfl Jörg‐Martin , Schmalz Hans‐Günther 
Published: January 2018

AbstractThe AuI‐catalyzed reaction of 2‐(1‐alkynyl)‐2‐alken‐1‐ones with azomethine imines regio‐ and diastereoselectively affords furo[3,4‐d]tetrahydropyridazines in a tandem cyclization/intermolecular [3+3]‐cycloaddition process under mild conditions. By employing a chiral gold catalyst (prepared in situ from a Taddol‐derived phosphine‐phosphite ligand, Me2SAuCl, and AgOTf) high yields and enantioselectivities (up to 94 % yield, up to 96 % ee) are obtained. The method provides an efficient modular route to substituted heterotricyclic furan derivatives and can be easily scaled up (using catalyst loads of only 0.15 mol %).
Alternative Liquid Fuels from Renewable Resources
Authors: Niethammer Benjamin , Wodarz Simon , Betz Matthias , Haltenort Philipp , Oestreich Dorian , Hackbarth Kathrin , Arnold Ulrich , Otto Thomas , Sauer Jörg 
Published: January 2018

AbstractRecent progress regarding the production of alternative liquid fuels is described with a focus on catalyst development. Fuels for spark ignition engines as well as diesel fuels are considered and their potentials regarding the reduction of harmful emissions are addressed. Two main strategies are described. The first implies production of synthesis gas from renewables or CO2 and subsequent synthesis of methanol or dimethyl ether. Both can be further converted to a series of valuable fuels, e.g., high‐quality gasoline or oxymethylene ethers. The second strategy comprises the production of ethanol and its conversion to gasoline.
Phylogeny and distribution of protein kinase C variants in the zebrafish
Authors: Haug Marion F. , Gesemann Matthias , Berger Manuela , Neuhauss Stephan C. F. 
Published: January 2018

AbstractConventional protein kinases—consisting of α, β, and γ family members—play key roles in numerous signal transduction events. Phylogenetic analysis demonstrated the existence of five prkcs (the genes representing PKCs) in zebrafish, two paralogous forms of prkca and prkcb and one prkcg variant. mRNA expression analysis showed distinct, mainly nervous system specific expression, for all five prkc genes. For prkca and prkcb paralogs prominent expression can be seen in the telencephalon, in diencephalic regions such as the habenula or the optic tectum, in hypothalamic areas and in distinct cerebellar structures. Each transcript is additionally expressed in distinct areas: prkcaa is highly abundant in cranial sensory ganglia and in dorsal neurons of the hindbrain and the spinal cord, prkcab is strongly expressed in additional cerebellar regions, prkcba shows expression in the pectoral fin, the otic vesicle and in the proximal convoluted tubule of the kidney, and prkcbb shows prominent expression in different hypothalamic areas. Expression of prkcg is most striking in the cerebellum. As zebrafish PKCs are expressed in structures that are equivalent to mammals, the zebrafish model is well suited to study evolutionary conserved functions of PKCs in development and disease.
Excitation Position Sensitive Upconversion Emission of Lanthanide Ions Doped β‐NaYF4 Single Microcrystals
Authors: Wang Bing , Wang Jiao , Huang Gaoshan , Li Shilong , Mei Yongfeng 
Published: January 2018

AbstractThe information about optical propagation properties and the directionality of emission light of individual microcrystal is essential for the applications of lanthanide ions doped (Ln‐doped) upconversion (UC) materials. In this work, we focus on the optical property of UC Yb3+ and Er3+ or Tm3+ doped β‐NaYF4 single crystal microrods and microdisks. Their optical propagation properties and directionality of the UC emission are investigated by the UC photoluminescence (PL) spectra and microarea PL microscopy images. The emission colors, directionality and intensity to the edges of the microcrystals are evidently sensitive to the initial excitation laser position. The waveguide effect and the self‐absorption effect of the doping ions are responsible for such anisotropic emission and emission color changing. And the ray‐dynamical interpretation can give well explanation on the emission light distribution.
Parallel imperialist competitive algorithms
Authors: Majd Amin , Sahebi Golnaz , Daneshtalab Masoud , Plosila Juha , Lotfi Shahriar , Tenhunen Hannu 
Published: January 2018

SummaryThe importance of optimization and NP‐problem solving cannot be overemphasized. The usefulness and popularity of evolutionary computing methods are also well established. There are various types of evolutionary methods; they are mostly sequential but some of them have parallel implementations as well. We propose a multi‐population method to parallelize the Imperialist Competitive Algorithm. The algorithm has been implemented with the Message Passing Interface on 2 computer platforms, and we have tested our method based on shared memory and message passing architectural models. An outstanding performance is obtained, demonstrating that the proposed method is very efficient concerning both speed and accuracy. In addition, compared with a set of existing well‐known parallel algorithms, our approach obtains more accurate results within a shorter time period.
Prospects and challenges of virtual machine migration in HPC
Authors: Pickartz Simon , Clauss Carsten , Breitbart Jens , Lankes Stefan , Monti Antonello 
Published: January 2018

SummaryThe continuous growth of supercomputers is accompanied by increased complexity of the intra‐node level and the interconnection topology. Consequently, the whole software stack ranging from the system software to the applications has to evolve, eg, by means of fault tolerance and support for the rising intra‐node parallelism. Migration techniques are one means to address these challenges. On the one hand, they facilitate the maintenance process by enabling the evacuation of individual nodes during runtime, ie, the implementation of fault avoidance. On the other hand, they enable dynamic load balancing for an improvement of the system's efficiency. However, these prospects come along with certain challenges. On the process level, migration mechanisms have to resolve so‐called residual dependencies to the source node, eg, the communication hardware. On the job level, migrations affect the communication topology, which should be addressed by the communication stack, ie, the optimal communication path between a pair of processes might change after a migration. In this article, we explore migration mechanisms for HPC and discuss their prospects as well as the challenges. Furthermore, we present solutions enabling their efficient usage in this domain. Finally, we evaluate our prototype co‐scheduler leveraging migration for workload optimization.
Design and extensive hardware performance analysis of an efficient pairwise key generation scheme for Smart Grid
Authors: Abbasinezhad‐Mood Dariush , Nikooghadam Morteza 
Published: January 2018

SummaryGenerating pairwise shared keys among different entities of Smart Grid is of great significance because it provides the possibility of subsequent fast and secure communications by means of symmetric key algorithms. Due to the constrained resources of the measurement devices or the smart meters, the shared key generation scheme must not only provide the security features but also put the least possible burden on the measurement devices. Several key generation schemes have been presented thus far. However, many require time and resource consuming operations, some are not suitable for hierarchical data collection in the honest‐but‐curious model, some rely on a third trusted party, and last but not least, most of them have not considered suitable hardware that can be employed for each entity of Smart Grid. Therefore, in this paper, we propose a key generation scheme that not only is free from the aforementioned issues but is also efficient in both communication and computational costs. Additionally, and more importantly, we have implemented the cryptographic elements on (a) an ARM Cortex‐M3 microcontroller, which is a proper candidate for the measurement devices; (b) an Intel Core i7‐4702MQ processor, which can be employed for either the data collectors or the power operator; and (c) 4 ARM processors, three 32‐bit and one 64‐bit. Eventually, we have evaluated the feasibility of using the ARM processors to be employed for the data collectors. We hope that the achieved results be useful for other researches in this field.
Experimental assessment of LNC‐based cooperative communication schemes using commercial off‐the‐shelf wireless sensor network nodes
Authors: Valle Odilson T. , Budke Gerson , Montez Carlos , Moraes Ricardo , Vasques Francisco 
Published: January 2018

SummaryThe use of wireless sensor network nodes to support reliable communication exposes some challenging issues. For instance, the reduced available bandwidth combined with an error‐prone communication medium impairs the provision of reliable communication services. Network coding techniques can be useful to mitigate some of these issues, where multiple message groups can be combined into single messages and retransmitted to their destinations, improving the network reliability and reducing the bandwidth consumption. However, an effective use of network coding requires the availability of wireless sensor network nodes able to encode/decode messages within the required timing constraints. This paper reports an experimental assessment of commercial off‐the‐shelf wireless sensor network nodes, running a set of network coding encoding/decoding tasks. The assessed nodes range from the high‐performance ARM Cortex‐M7 to the low capability Arduino Uno platforms, including some of the most popular ARM Cortex and ATMEL AVR processors. The performed experimental assessment demonstrates that highly complex network coding techniques (with fields as large as
) can be efficiently implemented on a wide range of wireless sensor network nodes, including ARM Cortex, ATMEL AVR, and Arduino Uno platforms, smoothing some relevant reliable communication implementation issues.
Which egg features predict egg rejection responses in American robins? Replicating Rothstein's (1982) study
Authors: Luro Alec B. , Igic Branislav , Croston Rebecca , López Analía V. , Shawkey Matthew D. , Hauber Mark E. 
Published: January 2018

AbstractRothstein (Behavioral Ecology and Sociobiology, 11, 1982, 229) was one of the first comprehensive studies to examine how different egg features influence egg rejection behaviors of avian brood parasite–hosts. The methods and conclusions of Rothstein (1982) laid the foundation for subsequent experimental brood parasitism studies over the past thirty years, but its results have never been evaluated with replication. Here, we partially replicated Rothstein's (1982) experiments using parallel artificial model egg treatments to simulate cowbird (Molothrus ater) parasitism in American robin (Turdus migratorius) nests. We compared our data with those of Rothstein (1982) and confirmed most of its original findings: (1) robins reject model eggs that differ from the appearance of a natural robin egg toward that of a natural cowbird egg in background color, size, and maculation; (2) rejection responses were best predicted by model egg background color; and (3) model eggs differing by two or more features from natural robin eggs were more likely to be rejected than model eggs differing by one feature alone. In contrast with Rothstein's (1982) conclusion that American robin egg recognition is not specifically tuned toward rejection of brown‐headed cowbird eggs, we argue that our results and those of other recent studies of robin egg rejection suggest a discrimination bias toward rejection of cowbird eggs. Future work on egg recognition will benefit from utilizing a range of model eggs varying continuously in background color, maculation patterning, and size in combination with avian visual modeling, rather than using model eggs which vary only discretely.
Impaired phagocytosis directs human monocyte activation in response to fungal derived β‐glucan particles
Authors: Camilli Giorgio , Eren Elif , Williams David L. , Aimanianda Vishukumar , Meunier Etienne , Quintin Jessica 
Published: January 2018

AbstractRecognition of the fungal cell wall carbohydrate β‐glucan by the host receptor Dectin‐1 elicits broad immunomodulatory responses, such as phagocytosis and activation of oxidative burst. These responses are essential for engulfing and killing fungal pathogens. Phagocytic monocytes are key mediators of these early host inflammatory responses to infection. Remarkably, whether phagocytosis of fungal β‐glucan leads to an inflammatory response in human monocytes remains to be established. Here, we show that phagocytosis of heat‐killed Candida albicans is essential to trigger inflammation and cytokine release. By contrast, inhibition of actin‐dependent phagocytosis of particulate (1‐3,1‐6)‐β‐glucan induces a strong inflammatory signature. Sustained monocyte activation, induced by fungal β‐glucan particles upon actin cytoskeleton disruption, relies on Dectin‐1 and results in the classical caspase‐1 inflammasome formation through NLRP3, generation of an oxidative burst, NF‐κB activation, and increased inflammatory cytokine release. PI3K and NADPH oxidase were crucial for both cytokine secretion and ROS generation, whereas Syk signaling mediated only cytokine production. Our results highlight the mechanism by which phagocytosis tightly controls the activation of phagocytes by fungal pathogens and strongly suggest that actin cytoskeleton dynamics are an essential determinant of the host's susceptibility or resistance to invasive fungal infections.
Deacidification of Crude Hazelnut Oil Using Molecular Distillation – Multiobjective Optimization for Free Fatty Acids and Tocopherol
Authors: Altuntas Ayse H. , Ketenoglu Onur , Cetinbas Sena , Erdogdu Ferruh , Tekin Aziz 
Published: January 2018

Hazelnut oil is a good source for its high oleic acid and tocopherol contents. Since tocopherols are beneficial compounds in human diet, preservation of tocopherols in oil plays a great role in refining process. The aim of this study is to determine the optimum molecular distillation conditions for deacidification of crude hazelnut oil at which free fatty acids (FFAs) are removed while tocopherols are preserved as much as possible. A short‐path distillation column is used with evaporation temperatures ranging from 110 to 190 °C and vacuums from 0.05 to 5 mmHg for deacidification. Multiobjective optimization is performed for minimizing tocopherol loss and maximizing FFA removal simultaneously. Results reveal that higher temperature and vacuums achieve more deacidification in residual oil. FFA content is reduced to 2.05% at 190 °C and 0.05 mmHg. On the other hand, tocopherol concentrations are considerably affected at this condition while they remain almost stable at other conditions. Optimized conditions for removal of FFAs and protecting of tocopherols in crude hazelnut oil are calculated as 188.65 °C and 0.14 mmHg. For verification, an additional distillation is carried out at the calculated conditions, and the results are found very close to that of optimized conditions.Practical Applications: Physical refining or vacuum distillation process is a substitute to conventional refining which causes excessive neutral oil losses during neutralization. However, heat treatment for long periods of time may inevitably cause degradation of beneficial compounds such as tocopherols. For this purpose, this study focuses on optimizing molecular distillation conditions at which maximum tocopherol and minimum FFA could be obtained simultaneously. Outcomes would be useful for industrial physical refining plants dealing with optimum points for the same purpose.Deacidification of crude hazelnut oil using molecular distillation – multiobjective optimization for tocopherol and FFA
Isobutanol Synthesis from Syngas over Zn‐Cr Catalyst: Effect of Zn/Cr Element Ratio
Authors: Tian Shaopeng , Wu Yingquan , Li Kexuan , Xie Hongjuan , Ren Huaping , Zhao Yuzhen , Miao Zongcheng , Tan Yisheng 
Published: January 2018

AbstractThis report demonstrated the effect of Zn/Cr element ratio on Zn−Cr catalyst for isobutanol formation from the reaction of carbon monoxide hydrogenation. The catalysts of different Zn/Cr element ratios including 1 : 3, 1 : 1, 3 : 1 and 5 : 1 have been prepared by a facile coprecipitation approach and their activity evaluation of isobutanol formation by carbon monoxide hydrogenation were tested. The Zn1Cr1 catalyst of Zn/Cr element ratio being 1 : 1 presented outstanding activity for iso‐butanol formation from the carbon monoxide hydrogenation, carbon monoxide conversion and isobutanol selectivity reached to the maximum to ∼32 % and ∼24 %, respectively. Multi‐Characterization including TEM, XRD, BET, XAS, H2‐TPR, CO2‐TPD and XPS were proceed to investigate the physico‐chemical property of catalysts. The characterization results display that the Zn1Cr1 catalyst presents more nonstoichiometric Zn−Cr spinel and oxygen vacancies as well as more defects. The Zn1Cr1 catalyst also presents better properties of basicity, reducibility and BET surface area which are some other factors for better result of activity evaluation for isobutanol formation by carbon monoxide hydrogenation.
Are trans diagnostic models of eating disorders fit for purpose? A consideration of the evidence for food addiction
Authors: Treasure Janet , Leslie Monica , Chami Rayane , Fernández‐Aranda Fernando 
Published: January 2018

AbstractExplanatory models for eating disorders have changed over time to account for changing clinical presentations. The transdiagnostic model evolved from the maintenance model, which provided the framework for cognitive behavioural therapy for bulimia nervosa. However, for many individuals (especially those at the extreme ends of the weight spectrum), this account does not fully fit. New evidence generated from research framed within the food addiction hypothesis is synthesized here into a model that can explain recurrent binge eating behaviour. New interventions that target core maintenance elements identified within the model may be useful additions to a complex model of treatment for eating disorders.
Spatial and temporal analysis of hillslope–channel coupling and implications for the longitudinal profile in a dryland basin
Authors: Michaelides Katerina , Hollings Rory , Singer Michael Bliss , Nichols Mary H. , Nearing Mark A. 
Published: January 2018

AbstractThe long‐term evolution of channel longitudinal profiles within drainage basins is partly determined by the relative balance of hillslope sediment supply to channels and the evacuation of channel sediment. However, the lack of theoretical understanding of the physical processes of hillslope–channel coupling makes it challenging to determine whether hillslope sediment supply or channel sediment evacuation dominates over different timescales and how this balance affects bed elevation locally along the longitudinal profile. In this paper, we develop a framework for inferring the relative dominance of hillslope sediment supply to the channel versus channel sediment evacuation, over a range of temporal and spatial scales. The framework combines distinct local flow distributions on hillslopes and in the channel with surface grain‐size distributions. We use these to compute local hydraulic stresses at various hillslope‐channel coupling locations within the Walnut Gulch Experimental Watershed (WGEW) in southeast Arizona, USA. These stresses are then assessed as a local net balance of geomorphic work between hillslopes and channel for a range of flow conditions generalizing decadal historical records. Our analysis reveals that, although the magnitude of hydraulic stress in the channel is consistently higher than that on hillslopes, the product of stress magnitude and frequency results in a close balance between hillslope supply and channel evacuation for the most frequent flows. Only at less frequent, high‐magnitude flows do channel hydraulic stresses exceed those on hillslopes, and channel evacuation dominates the net balance. This result suggests that WGEW exists mostly (~50% of the time) in an equilibrium condition of sediment balance between hillslopes and channels, which helps to explain the observed straight longitudinal profile. We illustrate how this balance can be upset by climate changes that differentially affect relative flow regimes on slopes and in channels. Such changes can push the long profile into a convex or concave condition. © 2018 The Authors. Earth Surface Processes and Landforms published by John Wiley & Sons Ltd.