bluuebunny/crossref_metadata_2025_split huggingface dataset:
In‐Depth Understanding of the Chemical Properties of Rarely Explored Carbide Cluster Metallofullerenes: A Case Study of Sc2C2@C3v(8)‐C82 that Reveals a General Rule
Authors: Cai Wenting , Chen Muqing , Bao Lipiao , Xie Yunpeng , Akasaka Takeshi , Lu Xing 
Published: January 2015

AbstractThe chemical properties of carbide‐cluster metallofullerenes (CCMFs) remain largely unexplored, although several new members of CCMFs have been discovered recently. Herein, we report the reaction between Sc2C2@C3v(8)‐C82, which is viewed as a prototypical CCMF because of its high abundance, and 3‐triphenylmethyl‐5‐oxazolidinone (1) to afford the corresponding pyrrolidino derivative Sc2C2@C3v(8)‐C82(CH2)2NTrt (2; Trt=triphenylmethyl). Single‐crystal X‐ray crystallography studies of 2 revealed that the reaction takes place at a [6,6]‐bond junction, which is directly over the encapsulated C2 unit and is far from either of the two scandium atoms. On the basis of theoretical calculations and by considering previously reports, we have found that a hexagonal carbon ring on the cage of Sc2C2@C3v(8)‐C82 is highly reactive toward different reagents due to the overlap of high p‐orbital axis vector (POAV) angles and large LUMO coefficients. We propose that this highly concentrated area of reactivity is generated by the encapsulation of the Sc2C2 cluster because this region is absent from the empty fullerene C3v(8)‐C82. Moreover, the absorption and electrochemical results confirm that derivative 2 is more stable than pristine Sc2C2@C3v(8)‐C82, thus illuminating its potential applications.
Probing the Mechanism of Allylic Substitution of Morita–Baylis–Hillman Acetates (MBHAs) by using the Silyl Phosphonite Paradigm: Scope and Applications of a Versatile Transformation
Authors: Kalyva Maria , Zografos Alexandros L. , Kapourani Era , Giambazolias Evaggelos , Devel Laurent , Papakyriakou Athanasios , Dive Vincent , Lazarou Yannis G. , Georgiadis Dimitris 
Published: January 2015

AbstractA PC bond‐forming reaction between silyl phosphonites and Morita–Baylis–Hillman acetates (MBHAs) is explored as a general alternative towards medicinally relevant β‐carboxyphosphinic structural motifs. Conversion rates of diversely substituted MBHAs to phosphinic acids 9 or 14 that were recorded by using 31P NMR spectroscopy revealed unexpected reactivity differences between ester and nitrile derivatives. These kinetic profiles and DFT calculations support a mechanistic scenario in which observed differences can be explained from the “lateness” of transition states. In addition, we provide experimental evidence suggesting that enolates due to initial P‐Michael addition are not formed. Based on the proposed mechanistic scenario in conjunction with DFT calculations, an interpretation of the E/Z stereoselectivity differences between ester and nitriles is proposed. Synthetic opportunities stemming from this transformation are presented, which deal with the preparation of several synthetically capricious phosphinic building blocks, whose access through the classical P‐Michael synthetic route is not straightforward.
Linked Supramolecular Building Blocks for Enhanced Cluster Formation
Authors: McLellan Ross , Palacios Maria A. , Beavers Christine M. , Teat Simon J. , Piligkos Stergios , Brechin Euan K. , Dalgarno Scott J. 
Published: January 2015

AbstractMethylene‐bridged calix[4]arenes have emerged as extremely versatile ligand supports in the formation of new polymetallic clusters possessing fascinating magnetic properties. Metal ion binding rules established for this building block allow one to partially rationalise the complex assembly process. The ability to covalently link calix[4]arenes at the methylene bridge provides significantly improved control over the introduction of different metal centres to resulting cluster motifs. Clusters assembled from bis‐calix[4]arenes and transition metal ions or 3d‐4f combinations display characteristic features of the analogous calix[4]arene supported clusters, thereby demonstrating an enhanced and rational approach towards the targeted synthesis of complex and challenging structures.
Controlled Synthesis of Nanoporous Nickel Oxide with Two‐Dimensional Shapes through Thermal Decomposition of Metal–Cyanide Hybrid Coordination Polymers
Authors: Zakaria Mohamed B. , Hu Ming , Salunkhe Rahul R. , Pramanik Malay , Takai Kimiko , Malgras Victor , Choi Seyong , Dou Shi Xue , Kim Jung Ho , Imura Masataka , Ishihara Shinsuke , Yamauchi Yusuke 
Published: January 2015

AbstractInvited for the cover of this issue is the group of Yusuke Yamauchi at the National Institute for Materials Science (NIMS), Japan. The image depicts the formation of metal–cyanide hybrid coordination polymers—the rate of formation is slow as the reactant appears to be fairly stable, leading to a preferential growth. Read the full text of the article at 10.1002/chem.201404895.
Electrochemical Intramolecular CH Amination: Synthesis of Benzoxazoles and Benzothiazoles
Authors: Morofuji Tatsuya , Shimizu Akihiro , Yoshida Jun‐ichi 
Published: January 2015

AbstractA new method for metal‐free intramolecular CH amination has been developed. Electrochemical oxidation of 2‐pyrimidyloxybenzenes and 2‐pyrimidylthiobenzenes, which can be easily prepared from phenols and thiophenols, respectively, followed by the treatment of the resulting pyrimidinium ions with piperidine gives 2‐aminobenzoxazoles and 2‐aminobenzothiazoles, respectively.
Simultane Atline‐Quantifizierung von Magnetpartikeln und Mikroorganismen bei einer HGMS‐Filtration
Authors: Schumann Christiane , Rogin Sabine , Schneider Horst , Tippkötter Nils , Oster Jürgen , Kampeis Percy 
Published: January 2015

AbstractEs wird eine neue Atline‐Messmethode vorgestellt, mit der während einer Hochgradienten‐Magnetseparation (HGMS)‐Filtration eine simultane Quantifizierung von Magnetpartikeln und Mikroorganismen im Filtrat vorgenommen werden kann. Dabei gelingt die Quantifizierung signifikant besser als mit bisher verwendeten Messmethoden. Mit dieser Methode ist es möglich, die Trennleistung einer HGMS‐Filtration zu bestimmen und einen Filterdurchbruch durch Konzentrationsanstiege im Bereich einiger µg L−1 von Magnetpartikeln im Filtrat frühzeitig zu detektieren, ohne dass nennenswerte Partikelmengen verloren gehen.
Control of Charge Transport in the Perovskite CH3NH3PbI3 Thin Film
Authors: Shi Jiangjian , Wei Huiyun , Lv Songtao , Xu Xin , Wu Huijue , Luo Yanhong , Li Dongmei , Meng Qingbo 
Published: January 2015

AbstractCarrier density and transport properties in the CH3NH3PbI3 thin film have been investigated. It is found that the carrier density, the depletion field, and the charge collection and transport properties in the CH3NH3PbI3 absorber film can be controlled effectively by different concentrations of reactants. That is, the carrier properties and the self‐doping characteristics in CH3NH3PbI3 films are strongly influenced by the reaction thermodynamic and kinetic processes. Furthermore, by employing mixed solvents with ethanol and isopropanol to deposit the CH3NH3PbI3 film, the charge collection and transport efficiencies are improved significantly, thereby yielding an overall enhanced cell performance.
Electrodeposited Lamellar Photoconductor Nanohybrids Driven by Peptide Self‐Assembly
Authors: Manna Manoj K. , Pandey Sushil K. , Maity Indrajit , Mukherjee Shaibal , Das Apurba K. 
Published: January 2015

AbstractAromatic organic molecules serve as optoelectronic materials owing to their intrinsic optical and electronic properties. Herein, self‐assembled lamellar nanostructures as photoconductor hybrids, which are obtained from naphthalene‐2‐methoxycarbonyl (Nmoc)‐capped peptide amphiphiles, are described. Hybrid nanostructures are constructed in a controlled manner by an electrochemical deposition technique in combination with the inorganic Zn(OH)2 phase. Inorganic Zn(OH)2 layers turn into semiconductor ZnO layers upon annealing at 150 °C and lamellar nanostructures are formed in a periodic manner. Synergistic effects of hydrogen bonding and π–π stacking interactions of aromatic peptide amphiphiles are the driving force for the formation of self‐assembled lamellar nanostructures. Morphological, structural, and optical studies of such lamellar hybrid nanostructures are reported. Photoconduction of these hybrid nanostructures is also examined in detail.
A Highly Resilient Mesoporous SiOx Lithium Storage Material Engineered by Oil–Water Templating
Authors: Park Eunjun , Park Min‐Sik , Lee Jaewoo , Kim Ki Jae , Jeong Goojin , Kim Jung Ho , Kim Young‐Jun , Kim Hansu 
Published: January 2015

AbstractMesoporous silicon‐based materials gained considerable attention as high‐capacity lithium‐storage materials. However, the practical use is still limited by the complexity and limited number of available synthetic routes. Here, we report carbon‐coated porous SiOx as high capacity lithium storage material prepared by using a sol–gel reaction of hydrogen silsesquioxane and oil–water templating. A hydrophobic oil is employed as a pore former inside the SiOx matrix and a precursor for carbon coating on the SiOx. The anode exhibits a high capacity of 730 mAh g−1 and outstanding cycling performance over 100 cycles without significant dimensional changes. Carbon‐coated porous SiOx also showed highly stable thermal reliability comparable to that of graphite. These promising properties come from the mesopores in the SiOx matrix, which ensures reliable operation of lithium storage in SiOx. The scalable sol–gel process presented here can open up a new avenue for the versatile preparation of porous SiOx lithium storage materials.
Estimating the spatial position of marine mammals based on digital camera recordings
Authors: Hoekendijk Jeroen P. A. , de Vries Jurre , van der Bolt Krissy , Greinert Jens , Brasseur Sophie , Camphuysen Kees C. J. , Aarts Geert 
Published: January 2015

AbstractEstimating the spatial position of organisms is essential to quantify interactions between the organism and the characteristics of its surroundings, for example, predator–prey interactions, habitat selection, and social associations. Because marine mammals spend most of their time under water and may appear at the surface only briefly, determining their exact geographic location can be challenging. Here, we developed a photogrammetric method to accurately estimate the spatial position of marine mammals or birds at the sea surface. Digital recordings containing landscape features with known geographic coordinates can be used to estimate the distance and bearing of each sighting relative to the observation point. The method can correct for frame rotation, estimates pixel size based on the reference points, and can be applied to scenarios with and without a visible horizon. A set of R functions was written to process the images and obtain accurate geographic coordinates for each sighting. The method is applied to estimate the spatiotemporal fine‐scale distribution of harbour porpoises in a tidal inlet. Video recordings of harbour porpoises were made from land, using a standard digital single‐lens reflex (DSLR) camera, positioned at a height of 9.59 m above mean sea level. Porpoises were detected up to a distance of ~3136 m (mean 596 m), with a mean location error of 12 m. The method presented here allows for multiple detections of different individuals within a single video frame and for tracking movements of individuals based on repeated sightings. In comparison with traditional methods, this method only requires a digital camera to provide accurate location estimates. It especially has great potential in regions with ample data on local (a)biotic conditions, to help resolve functional mechanisms underlying habitat selection and other behaviors in marine mammals in coastal areas.
Model Uncertainty and Forecast Combination in High‐Dimensional Multivariate Volatility Prediction
Authors: Amendola Alessandra , Storti Giuseppe 
Published: January 2015

AbstractIn multivariate volatility prediction, identifying the optimal forecasting model is not always a feasible task. This is mainly due to the curse of dimensionality typically affecting multivariate volatility models. In practice only a subset of the potentially available models can be effectively estimated, after imposing severe constraints on the dynamic structure of the volatility process. It follows that in most applications the working forecasting model can be severely misspecified. This situation leaves scope for the application of forecast combination strategies as a tool for improving the predictive accuracy. The aim of the paper is to propose some alternative combination strategies and compare their performances in forecasting high‐dimensional multivariate conditional covariance matrices for a portfolio of US stock returns. In particular, we will consider the combination of volatility predictions generated by multivariate GARCH models, based on daily returns, and dynamic models for realized covariance matrices, built from intra‐daily returns. Copyright © 2015 John Wiley & Sons, Ltd.
The toxicity and distribution of iron oxide–zinc oxide core‐shell nanoparticles in C57BL/6 mice after repeated subcutaneous administration
Authors: Yun Jun‐Won , Yoon Jung‐Hee , Kang Byeong‐Cheol , Cho Nam‐Hyuk , Seok Seung Hyeok , Min Seung‐Kee , Min Ji Hyun , Che Jeong‐Hwan , Kim Young Keun 
Published: January 2015

AbstractTherapeutic cancer vaccines promote immune responses by delivering tumour‐specific antigens. Recently, we developed iron oxide (Fe3O4)–zinc oxide (ZnO) core‐shell nanoparticles (CSNPs) as carriers for antigen delivery into dendritic cells (DCs), and the CSNPs were injected subcutaneously into C57BL/6 mice to examine the systemic toxicity, tissue distribution and excretion of the CSNPs. The doses injected were 0, 4, 20 and 200 mg kg–1 weekly for 4 weeks. No significant changes were observed after the CSNPs administration with respect to mortality, clinical observations, body weight, food intake, water consumption, urinalysis, haematology, serum biochemistry,and organ weights. A dose‐dependent increase in granulomatous inflammation was observed at the injection site of the CSNP‐treated animals, but no other histopathological lesions in other organs could be attributed to the CSNPs. The Zn concentration, which is an indicator for CSNPs, was not significantly higher in the sampled tissues, urine, or faeces after the CSNP injection. In contrast, the Zn concentration at the subcutaneous skin of the site injected with the CSNPs increased in a dose‐dependent manner, along with a macroscopic deposition of the CSNPs. The CSNP residue at the injection site resulted in a foreign body response with the appearance of macrophage infiltration, but otherwise did not show any systemic distribution or toxicity at up to 200 mg kg–1 during this study. In conclusion, CSNPs could be used as good antigen carriers for DC‐based immunotherapy, although further study is needed to completely clear the residue of the CSNPs at the injection site. Copyright © 2015 John Wiley & Sons, Ltd.
Estimating cumulative exposure of wildlife to non‐lethal disturbance using spatially explicit capture–recapture models
Authors: Christiansen Fredrik , Bertulli Chiara G. , Rasmussen Marianne H. , Lusseau David 
Published: January 2015

ABSTRACTImpact assessments often focus on short‐term behavioral responses of animals to human disturbance. However, the cumulative effects caused by repeated behavioral disruptions are of management concern because these effects have the potential to influence individuals’ survival and reproduction. We need to estimate individual exposure rates to disturbance to determine cumulative effects. We present a new approach to estimate the spatial exposure of minke whales to whalewatching boats in Faxaflói Bay, Iceland. We used recent advances in spatially explicit capture–recapture modeling to estimate the probability that whales would encounter a disturbance (i.e., whalewatching boat). We obtained spatially explicit individual encounter histories of individually identifiable animals using photo‐identification. We divided the study area into 1‐km2 grid cells and considered each cell a spatially distinct sampling unit. We used capture history of individuals to model and estimate spatial encounter probabilities of individual minke whales across the study area, accounting for heterogeneity in sampling effort. We inferred the exposure of individual minke whales to whalewatching vessels throughout the feeding season by estimating individual whale encounters with vessels using the whale encounter probabilities and spatially explicit whalewatching intensity in the same area, obtained from recorded whalewatching vessel tracks. We then estimated the cumulative time whales spent with whalewatching boats to assess the biological significance of whalewatching disturbances. The estimated exposure levels to boats varied considerably between individuals because of both temporal and spatial variations in the activity centers of whales and the whalewatching intensity in the area. However, although some whales were repeatedly exposed to whalewatching boats throughout the feeding season, the estimated cumulative time they spent with boats was very low. Although whalewatching boat interactions caused feeding disruptions for the whales, the estimated low cumulative exposure indicated that the whalewatching industry in its current state likely is not having any long‐term negative effects on vital rates. © 2015 The Wildlife Society.
Determination of soil properties for plane strain condition from the triaxial tests results
Authors: Nanda S. , Patra N. R. 
Published: January 2015

SummarySignificant difference in stress–strain behavior of dense cohesionless soil has been observed between plane strain and triaxial test conditions. At present, majority of geotechnical laboratories have no plane strain testing facility. Therefore, geotechnical professionals are more dependent on the conventional triaxial test for soil properties, whereas many geotechnical structures prevail close to plane strain condition. A method has been proposed to determine soil properties for plane strain condition from the conventional triaxial tests. This method can especially be used to determine the internal friction angle and stress–strain relationship for plane strain condition from triaxial tests results. Copyright © 2015 John Wiley & Sons, Ltd.
Money donations intentions among Muslim donors: an extended theory of planned behavior model
Authors: Kashif Muhammad , De Run Ernest Cyril 
Published: January 2015

The investigation into determinants of money donation intentions while employing an extended theory of planned behavior model is limited to developed country contexts. However, given the challenges facing charitable organizations and scant theoretical evidence from developing world, such an examination can contribute pragmatically. The current study establishes the impact of subjective norms, perceived behavioral control, past behavior, and attitude on respondents' money donation intentions to charities in Pakistan. The respondents (N = 223), a non‐student population living in the city of Gujranwala, completed a survey. The collected data are analyzed by means of a multivariate analysis, which was comprised of regression and correlation. The results reveal a strong support to the extended theory of planned behavior model in establishing the relationship between identified independent and dependent variables in a developing country context of Pakistan. The study contributes to the establishment of a few strategies, which are useful for managers working in charitable organizations to attract and retain donors to support several causes.Copyright © 2015 John Wiley & Sons, Ltd.
Performance‐based seismic design of an irregular tall building in Istanbul
Authors: Özuygur Ali Ruzi 
Published: January 2015

SummaryStructural design of a 50‐story tall reinforced concrete residential building, which was planned to be constructed in Istanbul and given up afterwards by the investor, has been completed in accordance with the draft version of Seismic Design Code for Tall Buildings in Istanbul that adopts performance‐based seismic design as the basic approach as Tall Buildings Initiative Guidelines do. Seismic design of the building has formed the main part of the structural design process due to high seismicity of the proposed location and extremely irregular floor plan not conforming to usual tall building structures. The building consists of two individual buildings linked through sky floors at the top 12 stories whose design was one of the most challenging works. The building has been designed for design basis earthquake by elastic response spectrum analysis, and its seismic performance has been checked for maximum considered earthquake by nonlinear time‐history analyses carried out using PERFORM‐3D. Copyright © 2015 John Wiley & Sons, Ltd.
Instructional Challenges in Developing Young Children's Science Concepts
Authors: Hoffman Jessica L. , Collins Molly F. , Schickedanz Judith A. 
Published: January 2015

AbstractEarly childhood instruction tends to focus heavily on literacy development, sometimes at the expense of rich concept development (CEP, 2007; Neuman, 2006; NRC, 2012; NSTA, 2014). Because of the emphasis on literacy instruction, many early childhood teachers integrate content areas, such as science, in literacy instruction through read alouds of texts that involve science concepts. This article explores the challenges some teachers experience when trying to integrate science and literacy instruction in early childhood and explains ways in which teachers can effectively support science concept development in read alouds. We argue against the use of narrative texts to teach scientific concepts, explain how and why informational texts are much better suited to that task, and present four guiding principles and instructional challenges for teaching science concepts in read alouds of informational texts, illustrated using classroom examples.
Morphogen transport: theoretical and experimental controversies
Authors: Akiyama Takuya , Gibson Matthew C. 
Published: January 2015

AbstractAccording to morphogen gradient theory, extracellular ligands produced from a localized source convey positional information to receiving cells by signaling in a concentration‐dependent manner. How do morphogens create concentration gradients to establish positional information in developing tissues? Surprisingly, the answer to this central question remains largely unknown. During development, a relatively small number of morphogens are reiteratively deployed to ensure normal embryogenesis and organogenesis. Thus, the intracellular processing and extracellular transport of morphogens are tightly regulated in a tissue‐specific manner. Over the past few decades, diverse experimental and theoretical approaches have led to numerous conflicting models for gradient formation. In this review, we summarize the experimental evidence for each model and discuss potential future directions for studies of morphogen gradients. WIREs Dev Biol 2015, 4:99–112. doi: 10.1002/wdev.167This article is categorized under:

Establishment of Spatial and Temporal Patterns > Gradients
Signaling Pathways > Cell Fate Signaling
Early Embryonic Development > Development to the Basic Body Plan