bluuebunny/crossref_metadata_2025_split huggingface dataset:
Gold(III) Triggered Transformations of 22‐Methyl‐m‐benziporphyrin Involving an Effective Contraction of Benzene to Cyclopentadiene
Authors: Hurej Karolina , Pawlicki Miłosz , Latos‐Grażyński Lechosław 
Published: November 2016

AbstractA structurally prearranged carbaporphyrin, 22‐methyl‐m‐benziporphyrin, provided the perfect macrocyclic platform to form gold(III) 22‐methyl‐m‐benziporphyrin, which facilitates the specific m‐benzene ring contraction yielding gold(III) 21‐methyl 21‐carbaporphyrin with remarkably high yield.
Proof of Principle: Immobilisation of Robust CuII3TbIII‐Macrocycles on Small, Suitably Pre‐functionalised Gold Nanoparticles
Authors: Feltham Humphrey L. C. , Dumas Christophe , Mannini Matteo , Otero Edwige , Sainctavit Philippe , Sessoli Roberta , Meledandri Carla J. , Brooker Sally 
Published: November 2016

AbstractIn a proof‐of‐principle study, a soluble macrocyclic single‐molecule magnet (SMM) containing a CuII3TbIII magnetic core was covalently grafted onto small gold nanoparticles pre‐functionalised with carboxylate‐terminated tethers. A modified microemulsion method allowed production of the small and monodisperse nanoparticles (approximately 3.5 nm in diameter) for the chemisorption of a large amount of intact macrocyclic complexes in the hybrid system.
From Packed “Sandwich” to “Russian Doll”: Assembly by Charge‐Transfer Interactions in Cucurbit[10]uril
Authors: Gong Wanjun , Yang Xiran , Zavalij Peter Y. , Isaacs Lyle , Zhao Zhiyong , Liu Simin 
Published: November 2016

AbstractInvited for the cover of this issue is the group of Lyle Isaacs and Simin Liu at the University of Maryland and Wuhan University of Science and Technology. The image depicts two packed “sandwiches” and one supramolecular “Russian doll” that are assembled by host–guest and charge‐transfer interactions. Read the full text of the article at 10.1002/chem.201604149.
Analyse der Geschichte der Schankanlagentechnik und ihre Auswirkungen auf den heutigen Stand der Technik
Authors: Tippmann Johannes , Becker Thomas 
Published: November 2016

AbstractSeit jeher hat gezapftes Bier eine besondere Aura auf den Konsumenten und gilt oft als qualitativ besser verglichen mit Flaschenbier. Dies ist häufig auf die vorherrschenden technischen Standards und Möglichkeiten zurückzuführen. Die Entwicklungen der Schankanlagentechnik wurden analysiert und die wichtigsten technischen Erfindungen mit den über die Zeit entstanden Anforderungen an Materialien, Physik, Hygiene und Sicherheit werden beschrieben. Das Verständnis verfahrenstechnischer Grundoperationen diente dabei oft als Lösungsweg, z. B. bei der Widerlage der Geschichte des 7‐Minuten‐Pils.
Elektronentheorie auf dem Smartphone
Authors: Giel Patrick , Müller‐Plathe Florian , Böhm Michael C. 
Published: November 2016

AbstractMit einem neuen Lehrwerkzeug lassen sich Hückel‐Molekülorbital‐Rechnungen durch eine zeichnerisch‐spielerische Eingabe auf einem Smartphone schnell und einfach durchführen. Die App gibt die üblichen Resultate von Hückel‐Rechnungen graphisch oder numerisch aus. Fortgeschrittene können die App auch für Möbius‐Ringe und π‐Systeme mit Heteroatomen nutzen, ebenso für die Analyse von Pauli‐Antisymmetrie‐Restriktionen in Monozyklen. Das Tool gestattet nicht nur den Einsatz in der Lehre, sondern erlaubt auch eine schnelle Bearbeitung wissenschaftlicher Fragestellungen, und sei es nur die Abschätzung, ob sich aufwändigere quantenchemische Rechnungen lohnen.
A new straightforward method for measuring xylene soluble for high impact polypropylene
Authors: Boyron Olivier , Cancelas Aarón J. , Taam Manel , Boisson Christophe , McKenna Timothy 
Published: November 2016

AbstractThe determination of the xylene soluble fraction in high impact polypropylene is used to estimate the rubber content in the polymer material. In analytical laboratories, the soluble fraction is measured by solvent extraction using gravimetric methods according to ASTM5492 or ISO6427. These methods require a large quantity of polymers, large volume of solvent, and long extraction times. It is therefore highly desirable to develop other laboratory methodologies for this task; preferably methodologies that employ existing laboratory equipment. It is found that the SEC method proposed here yields estimates of rubber contents very close to those found using standardized technics but in much shorter times.
Organocatalyzed Synthesis of Oleochemical Carbonates from CO2 and Renewables
Authors: Büttner Hendrik , Steinbauer Johannes , Wulf Christoph , Dindaroglu Mehmet , Schmalz Hans‐Günther , Werner Thomas 
Published: November 2016

AbstractBifunctional phosphorus‐based organocatalysts proved to be highly efficient for the atom‐economic reaction of CO2 and epoxidized oleochemicals. Notably, those products are obtained from CO2 and renewable feedstocks only. Structure–activity relationships have been deduced from a screening of 22 organocatalysts in a test reaction. Bifunctional catalysts based on a phosphonium salt bearing a simple phenolic moiety proved to be extraordinarily active under comparatively mild and solvent‐free reaction conditions. In the presence of the most active organocatalyst 12 oleochemical carbonates were isolated in excellent yields up to 99 %. This organocatalyzed reaction represents an excellent example for the realization of the 12 Principles of Green Chemistry as well as the 12 Principles of CO2 Chemistry.
Habitat restoration alters adult butterfly morphology and potential fecundity through effects on host plant quality
Authors: Sivakoff Frances S. , Morris William F. , Aschehoug Erik T. , Hudgens Brian R. , Haddad Nick M. 
Published: November 2016

AbstractConservation strategies for threatened species frequently include habitat restoration, but the success of such recovery efforts has been mixed. When the target is an insect herbivore, restoration efforts have traditionally attempted to increase the abundance of its host plant, but these actions' impact on host plant quality has largely been ignored. Here, we test the impact of two forms of habitat restoration, tree removal and stream damming, on the physical and chemical properties of a wetland sedge and on the adult traits of its larval consumer, a wetland butterfly. Tree removal altered plant physical and chemical traits in a manner largely consistent with reduced host plant quality. Females emerging from these plots had fewer mature oocytes in their ovaries upon emergence, suggesting that tree removal has a negative effect on butterfly potential fecundity. Stream damming did not affect plant traits but forewing length increased more steeply with body mass for females from these plots, indicating that small females from dammed plots have a relatively higher wing loading ratio that likely increases the energetic cost of flight. This idea was supported by results from our subsequent capture–mark–recapture study, where both female and male butterflies were less likely to emigrate from dammed plots. Male dispersal was also affected by restoration, but individual body mass rather than wing allometry mediated this effect. Our results highlight the need to consider restoration's impact on host plant quality, in addition to other aspects of habitat quality, when undertaking habitat restoration for threatened herbivores.
Whether disturbances alter salt marsh soil structure dramatically affects Spartina alterniflora recolonization rate
Authors: Sharp Sean J. , Angelini Christine 
Published: November 2016

AbstractDisturbance regimes are shifting in response to climate change, land‐use change, species' invasions, and other stressors, challenging ecologists to improve understanding of the mechanisms controlling plant recovery under different conditions. In this study, we investigate mechanisms that underpin plant recolonization of two types of disturbance: disturbances that remove standing plant biomass, but leave the underlying soil structure largely intact, and those that remove standing biomass and physically disrupt soil structure. In the southeastern United States, salt marshes, drought and invasive feral hogs (Sus scrofa) are associated with disturbances of these respective types and both leave behind mudflats dotted with patches of cordgrass (Spartina alterniflora), the system's dominant foundation species. To test how disturbance type and remnant patch size may interact to affect cordgrass recolonization, we transplanted replicate cordgrass patches of three sizes into one mudflat that experienced vegetation‐only disturbance (VD) during a recent drought, and a second mudflat where hog activities had disrupted the soil structure creating a soil + vegetation disturbance (soil + VD). Over one year, we monitored plant performance and properties of soil. Compared with the drought‐associated VD where patches, regardless of their size, expanded vigorously, large and medium patches grew little and smaller patches even less in the hog‐associated soil + VD mudflat. Moreover while biogeochemical properties varied little in the VD compared with adjacent vegetated marsh areas, the mudflats with soil + VD had less soil‐binding organic matter and, hence, were too soft to support crab burrows, leading to a reduction in oxygen availability and cordgrass expansion. These results indicate that cordgrass recovery is far faster from disturbances that do not degrade soil structure than those that do and therefore advocate for disturbance‐specific management strategies. Specifically, while transplanting patches is effective in restoring marshes disturbed by drought, wrack, or other factors that leave soil structure intact, preventative measures, like hog population culling, are essential to mitigating the ecological impacts of soil structure‐altering disturbances.
Laws, place, history and the interpretation of landforms
Authors: Phillips Jonathan D. 
Published: November 2016

AbstractThe state of an Earth surface system (ESS) is determined by three sets of factors: laws, place, and history. Laws (L = L1, L2, . . . , Ln) are the n general principles applicable to any such system at any time. Place factors (P = P1, P2, . . . , Pm) are the m relevant characteristics of the local or regional environment. History factors (H = H1 , H2, . . . , Hq) include the previous evolutionary pathway of the ESS, its stage of development, past disturbance, and initial conditions. Geoscience investigation may focus on laws, place, or history, but ultimately all three are necessary to understand and explain ESS. The LPH triad is useful as a pedagogical device, illustrated here via application to explaining the world's longest cave (Mammoth Cave, KY). Beyond providing a useful checklist, the LPH framework provides analytical traction to some difficult research problems. For example, studies of the avulsions of three southeast Texas rivers showed substantial differences in avulsion regimes and resulting alluvial morphology, despite the proximity and superficial similarity of the systems. Avulsions are governed by the same laws in all cases [L(A) = L(B) = L(C)], and the three rivers have undergone the same sea‐level, climate, and tectonic histories, as well as the same general anthropic impacts [H(A) ≈ H(B) ≈ H(C)]. Though regional environmental controls are similar, local details such as the location of the modern main channel relative to Pleistocene meander channels differ, and thus these place factors explain the differences between the rivers. The LPH framework, or similar types of reasoning, is implicit in many types of geoscience analysis. Explicit attention to the triad can help solve or address many specific problems and remind us of the importance of all three sets of factors. Copyright © 2016 John Wiley & Sons, Ltd.
Modelling and Trading the English and German Stock Markets with Novelty Optimization Techniques
Authors: Karathanasopoulos Andreas , Mitra Sovan , Skindilias Konstantinos , Lo Chia Chun 
Published: November 2016

AbstractThe motivation for this paper was the introduction of novel short‐term models to trade the FTSE 100 and DAX 30 exchange‐traded funds (ETF) indices. There are major contributions in this paper which include the introduction of an input selection criterion when utilizing an expansive universe of inputs, a hybrid combination of partial swarm optimizer (PSO) with radial basis function (RBF) neural networks, the application of a PSO algorithm to a traditional autoregressive moving model (ARMA), the application of a PSO algorithm to a higher‐order neural network and, finally, the introduction of a multi‐objective algorithm to optimize statistical and trading performance when trading an index. All the machine learning‐based methodologies and the conventional models are adapted and optimized to model the index. A PSO algorithm is used to optimize the weights in a traditional RBF neural network, in a higher‐order neural network (HONN) and the AR and MA terms of an ARMA model. In terms of checking the statistical and empirical accuracy of the novel models, we benchmark them with a traditional HONN, with an ARMA, with a moving average convergence/divergence model (MACD) and with a naïve strategy. More specifically, the trading and statistical performance of all models is investigated in a forecast simulation of the FTSE 100 and DAX 30 ETF time series over the period January 2004 to December 2015 using the last 3 years for out‐of‐sample testing. Finally, the empirical and statistical results indicate that the PSO‐RBF model outperforms all other examined models in terms of trading accuracy and profitability, even with mixed inputs and with only autoregressive inputs. Copyright © 2016 John Wiley & Sons, Ltd.
Injection risk assessment for intra‐formational seal geological model in a carbon sequestration application in Taiwan
Authors: Yu Chi‐Wen , Lei Shih‐Chang , Chiao Chung‐Hui , Hwang Lian‐Tong , Yang Wan‐Huei , Yang Ming‐Wei 
Published: November 2016

AbstractAs a deep saline aquifer, the Tai‐hsi Foreland Basin in western Taiwan is regarded as an excellent locality to sequester the huge carbon emission from domestic coal‐fired power plants. Existing geological data show that an intra‐formational seal capability characterized by multilayered shale baffles can act as the primary or ultimate cap system. In this study, the relevant ranges of rock parameter of porosity (20∼35%) and permeability (0.0001∼1300 mD), respectively, for the storage layers (sandstone) and seals (shale) have been selected according to large amount of laboratory core test from a nearby pioneering 3000 m drilling and sampling within the southern flank of the Tai‐hsi Basin. Comprehensive geological models considering both homogeneous and heterogeneous cases, and a typical plume migration scenario under a single‐well injection were simulated under a 20‐year continuous injection (1 MtCO2 per year) followed by post‐injection monitoring up to 1000 years. Corresponding 2D maximum horizontal migration distances (MHMD) of CO2 plume in the storage reservoir were calculated with respect to a homogeneous reservoir model and its heterogeneous counterparts. In addition, the induced pressures at critical monitoring points were also evaluated and compared. As a consequence, the ubiquitous shale baffles of intra‐formational seal in a heterogeneous saline aquifers were proven to be a successful trapping mechanism controlling the migration distances of lateral and upward movement. Furthermore, safe carbon storage operation within Tai‐hsi Basin with formation depth range about 2135 to 2450 mRT can be ensured by checking statistically the calculated maximum MHMD and the induced pressure magnitude. © 2016 Society of Chemical Industry and John Wiley & Sons, Ltd.
Family members' helping behavior: Alliance formations during naturalistic polyadic conflicts
Authors: Persram Ryan J. , Howe Nina , Della Porta Sandra , Ross Hildy S. 
Published: November 2016

AbstractThe present study investigated the role of alliances in naturalistic polyadic conflicts, which involved at least three family members, through a comparative analysis of parent–child‐ and sibling‐originated conflicts. Thirty‐nine families with two children (aged 4 and 6 years) were observed in the home setting. Transcripts of six 90‐min observational sessions per family resulted in identifying 306 polyadic family sequences; conflict initiators, topic, and resolution, as well as additional party roles (e.g., ally, judge, additional combatant, and mediator), were coded. Findings reveal that despite all family members being involved in polyadic conflicts, children tended to be initiators, while parents were more involved as additional parties. Alliances occurred more often than the other types of additional party roles. Alliance partnerships were most evident between mothers and fathers in parent–child‐originated conflicts, and mothers were more likely to ally with the younger child in sibling‐originated conflicts. Finally, submission was the most common resolution of polyadic conflicts; however, allies were more likely to win conflicts than to compromise or lose. This study highlights the dynamic nature of family conflict at home and is discussed in terms of links between relationships with family members, as well as informal learning of conflict behaviors.Highlights

Conflicts involving three or more family members occurs quite often at home.
Alliances are a common role that family members assume in conflict, as they try to achieve a favourable outcome for their side.
Children's involvement both as initiators and additional parties highlight their learning of various complex conflict behaviours in childhood.
Strategy Evolution in the Total Synthesis of (−)‐Leiodermatolide
Authors: Paterson Ian , Williams Simon 
Published: November 2016

AbstractThis review highlights the various challenges overcome during our recent synthetic campaign towards (−)‐leiodermatolide, a potent cytotoxic and antimitotic macrolide isolated from the marine sponge Leiodermatium sp. This structurally unprecedented macrocyclic chemotype represents a promising lead for anticancer drug discovery, provided a sustainable supply can be realised by an efficient chemical synthesis. Faced with the stereochemical ambiguities arising from our structural assignment work, a flexible and modular synthetic strategy was adopted for the construction of various key fragments, as a prelude to the controlled assembly of the two diene moieties. Installation of the nine stereocentres was achieved by the strategic use of boron‐mediated aldol reactions of chiral ketone building blocks. Following the exploratory construction of the macrocyclic core, we revised our strategy to circumvent some problematic steps, enabling a highly convergent total synthesis of (−)‐leiodermatolide.
Preparation of fluoride‐loaded microcapsules for anticariogenic bacterial growth using a coaxial ultrasonic atomizer
Authors: Choi Hae‐Won , Um Seung‐Hoon , Rhee Sang‐Hoon 
Published: November 2016

AbstractA new method to deliver fluoride using biodegradable poly(lactic‐co‐glycolic acid) microcapsules to suppress cariogenic bacterial growth during orthodontic treatment was investigated. A coaxial ultrasonic atomizer was used to encapsulate KF solution into microcapsules. The orthodontic adhesive resin disk containing fluoride loaded microcapsules (DFLM) was prepared by LED light curing. The microstructure of microcapsules, successful loading of KF, fracture strength, and shear bonding strength were assessed by FE‐SEM, confocal laser scanning microscope, and general purpose testing machine, respectively. Fluoride release from the DFLM in phosphate buffered saline and pH changes were measured after different periods of soaking time. Antibacterial activity of the DFLM was assessed in tryptic soy broth containing mutant streptococci. The starting inoculum and the orthodontic resin disk containing microcapsules not loaded with KF were used as negative and positive controls, respectively. As results, the cumulative amount of KF after 49 days was about 85% of the initial amount of fluoride contained in the microcapsules. The fracture and shear bonding strengths of the orthodontic resin disks with and without the microcapsules were similar to each other. The DFLM showed lower bacterial growth than the control groups, whereas no statistically significant differences were found between the negative and positive controls. It can be concluded that the microcapsules loaded with fluoride prepared by a coaxial ultrasonic atomizer have good potential for application as an antibacterial agent due to their excellent cariogenic antibacterial activity when incorporated into orthodontic adhesive resin. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 31–39, 2018.
The combined effect of thermal and chemotherapy on HeLa cells using magnetically actuated smart textured fibrous system
Authors: Tiwari Pranav , Agarwal Sakshi , Srivastava Sachchidanand , Jain Shilpee 
Published: November 2016

AbstractThermal therapy combined with chemotherapy is one of the advanced and efficient methods to eradicate cancer. In this work, we fabricated magnetically actuated smart textured (MAST) fibrous systems and studied their candidacy for cancer treatment. The polycaprolactone‐Fe3O4 based MAST fibers were fabricated using electrospinning technique. These MAST fibrous systems contained carbogenic quantum dots as a tracking agent and doxorubicin hydrochloride anticancer drug. Additionally, as fabricated MAST fibrous systems were able to deliver anticancer drug and heat energy simultaneously to kill HeLa cells in a 10 min period in vitro. After treatment, the metabolic activity and morphology of HeLa cells were analyzed. In addition, the mechanism of cell death was studied using flow cytometry. Interestingly, the navigation of these systems in the fluid can be controlled with the application of gradient magnetic field. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 40–51, 2018.
Shape sensitivity analysis of metallic nano particles
Authors: Sargheini Sahar , Paganini Alberto , Hiptmair Ralf , Hafner Christian 
Published: November 2016

AbstractShape sensitivity measures the impact of small perturbations of geometric features of a problem on certain quantities of interest. The shape sensitivity of PDE (partial differential equation) constrained output functionals is derived with the help of shape gradients. In electromagnetic scattering problems, the standard procedure of the Lagrangian approach cannot be applied because of solution of the state problem is complex valued. We derive a closed‐form formula of the shape gradient of a generic output functional constrained by Maxwell's equations. We employ cubic B‐splines to model local deformations of the geometry and derive sensitivity probings over the surface of the scatterer. We also define a sensitivity representative function over the surface of the scatterer on the basis of local sensitivity measurements. Several numerical experiments are conducted to investigate the shape sensitivity of different output functionals for different geometric settings.