bluuebunny/crossref_metadata_2025 huggingface dataset:
Turbulent Times Management Tolerance and Personal Power of Secondary School Administrators
Authors: Baliton Fructuoso C.
Published: November 2016

Turbulence refers to both internal and external changes within organizations, and demands from their environments. Power involves the potential to influence others, both in what they do and how they feel about something. This descriptive survey-correlation method of research aimed to determine whether the tolerance for managing in turbulent times of secondary school administrators of Leyte, Philippines were related to their personal power profile. A set of data-gathering questionnaire, composed of two parts was utilized. The results showed that the respondents have to work on improving their tolerance for managing in turbulent times and must have something likely to characterize in the world of work into the next century. Expert Power is the dimension of power that is subscribed by them, which is considered to be their behavior in work organizations since as suggested by the results, the respondents prefer to influence others by employing this particular form of power. Chi-square established that the non-significant relationships between the two variables imply that being ready to face turbulence and change, has nothing to do with their personal power profile or how they prefer to influence others.
Staff Attitudes and Compliance Toward the Surgical Safety Checklist in North Queensland
Authors: Wangoo Laltaksh , Ray Robin A. , Ho Yik-Hong
Published: November 2016

The Surgical Safety Checklist (SSC) has been reported to decrease complications and mortality; however, it is unclear which aspects are most crucial in producing its associated benefits and whether the positive attitudes of the operating room (OR) staff toward the SSC translates into better checklist compliance. This study aims to compare staff attitudes about reported benefits of and potential barriers to the SSC against observed compliance in 3 multispecialty North Queensland hospitals. SSC compliance, attitudes, and socio-professional factors were assessed via a staff survey consisting of a modified OR version of the Surgical Attitudes Questionnaire. A direct observation study of 165 procedures was concurrently performed to assess compliance with and accuracy of SSC completion at The Townsville Hospital. A total of 205 responses were received (response rate, 70%). Of these, 29.6% of responses were from private hospital staff. Survey responses versus observations indicated a 20% margin between satisfactory initiation and verbal completion of the SSC, with Sign Out both unsatisfactorily initiated (26%) and verbally completed (18%) (P < 0.05). “Staff introduction” was poorly completed and reported as not important (P = 0.005). Disinterest from other staff as perceived by nurses was seen as the greatest barrier to SSC completion. Surgeons and anesthesiologists valued the importance and benefits of the checklist less than half as much as nurses (P < 0.05). The SSC in its present form is not fully embraced in North Queensland hospitals. Making amendments to the checklist and its implementation protocols that reflect local cultural and social settings is desirable to improve compliance.
The temperature of the Icelandic mantle from olivine‐spinel aluminum exchange thermometry
Authors: Matthews S. , Shorttle O. , Maclennan J.
Published: November 2016

New crystallization temperatures for four eruptions from the Northern Volcanic Zone of Iceland are determined using olivine‐spinel aluminum exchange thermometry. Differences in the olivine crystallization temperatures between these eruptions are consistent with variable extents of cooling during fractional crystallization. However, the crystallization temperatures for Iceland are systematically offset to higher temperatures than equivalent olivine‐spinel aluminum exchange crystallization temperatures published for MORB, an effect that cannot be explained by fractional crystallization. The highest observed crystallization temperature in Iceland is 1399 ± 20°C. In order to convert crystallization temperatures to mantle potential temperature, we developed a model of multilithology mantle melting that tracks the thermal evolution of the mantle during isentropic decompression melting. With this model, we explore the controls on the temperature at which primary melts begin to crystallize, as a function of source composition and the depth from which the magmas are derived. Large differences (200°C) in crystallization temperature can be generated by variations in mantle lithology, a magma's inferred depth of origin, and its thermal history. Combining this model with independent constraints on the magma volume flux and the effect of lithological heterogeneity on melt production, restricted regions of potential temperature‐lithology space can be identified as consistent with the observed crystallization temperatures. Mantle potential temperature is constrained to be
°C for Iceland and
°C for MORB.
The effects of 10 to >160 GPa shock on the magnetic properties of basalt and diabase
Authors: Bezaeva N. S. , Swanson‐Hysell N. L. , Tikoo S. M. , Badyukov D. D. , Kars M. , Egli R. , Chareev D. A. , Fairchild L. M. , Khakhalova E. , Strauss B. E. , Lindquist A. K.
Published: November 2016

Hypervelocity impacts within the solar system affect both the magnetic remanence and bulk magnetic properties of planetary materials. Spherical shock experiments are a novel way to simulate shock events that enable materials to reach high shock pressures with a variable pressure profile across a single sample (ranging between ∼10 and >160 GPa). Here we present spherical shock experiments on basaltic lava flow and diabase dike samples from the Osler Volcanic Group whose ferromagnetic mineralogy is dominated by pseudo‐single‐domain (titano)magnetite. Our experiments reveal shock‐induced changes in rock magnetic properties including a significant increase in remanent coercivity. Electron and magnetic force microscopy support the interpretation that this coercivity increase is the result of grain fracturing and associated domain wall pinning in multidomain grains. We introduce a method to discriminate between mechanical and thermal effects of shock on magnetic properties. Our approach involves conducting vacuum‐heating experiments on untreated specimens and comparing the hysteresis properties of heated and shocked specimens. First‐order reversal curve (FORC) experiments on untreated, heated, and shocked specimens demonstrate that shock and heating effects are fundamentally different for these samples: shock has a magnetic hardening effect that does not alter the intrinsic shape of FORC distributions, while heating alters the magnetic mineralogy as evident from significant changes in the shape of FORC contours. These experiments contextualize paleomagnetic and rock magnetic data of naturally shocked materials from terrestrial and extraterrestrial impact craters.
Reply to comment by Iverson on “The reduction of friction in long runout landslides as an emergent phenomenon”
Authors: Johnson Brandon C. , Campbell Charles S. , Melosh H. Jay
Published: November 2016

Here we address the comments by Iverson (2016) on our recent work concerning the reduction of friction in long runout landslides. Iverson (2016) questions the veracity of our models and suggests that high basal pore fluid pressure is the dominant mechanism reducing friction in long runout landslides. The main goal of our work was to elucidate the mechanism responsible for the apparent reduction of friction and long runout occurring in the landslide simulations of Campbell et al. (1995), which did not include an interstitial fluid. We found that the apparent reduction of friction in large slides could be explained by acoustic waves causing sliding to preferentially occur at pressures below the expected overburden, a mechanism reminiscent of acoustic fluidization. Such a mechanism is required to explain the long runout of dry landslides such as those on the Moon and other airless or waterless bodies. While our models provide no estimates of the effect of fluids on landslide runout, we have demonstrated a mechanism that increases runout distances that does not involve fluids.
Tunable Optical Modulator by Coupling a Triboelectric Nanogenerator and a Dielectric Elastomer
Authors: Chen Xiangyu , Pu Xiong , Jiang Tao , Yu Aifang , Xu Liang , Wang Zhong Lin
Published: November 2016

A conjunction system based on triboelectric nanogenerator (TENG) and dielectric elastomer actuator (DEA) is a promising demonstration for the application of TENG in the field of electronic skin and soft robotics. In this paper, a triboelectric tunable smart optical modulator (SOM) has been proposed based on this TENG‐DEA system. The SOM has a very simple structure of an elastomer film and electrodes made of dispersed silver nanowires. Owing to the voltage induced rippling of the elastomer, the output of the TENG for a contact‐separation motion at a velocity ranging from 0.5 to 10 cm s−1 can decrease the SOM's transmittance from 72% to 40%, which is enough for realizing the function of privacy protection. Meanwhile, an effective operation method is also proposed for this SOM. By serially connecting an accessory DEA to the SOM, an external bias voltage can be applied on the SOM to tune its “threshold” voltage and the output from TENG can smoothly regulate the transmittance on the basis of the bias. The proposed operation method has excellent applicability for all DEA‐based devices, which can promote the practical study of TENG‐DEA system in the field of micro‐electro‐mechanical system and human–robots interaction.
Mesoscopic Fabric Sheet Racks and Blocks as Catalysts with Efficiently Exposed Surfaces for Methanol and Ethanol Electrooxidation
Authors: Shenashen Mohamed A. , Hassen Diab , El‐Safty Sherif A. , Selim Mahmoud M. , Akhtar Naeem , Chatterjee Abhijit , Elmarakbi Ahmed
Published: November 2016

Electrode designs based on sheet racks and blocks with multidiffuse groove spaces and enriched active sites and scales would promote the commercial applications of electroactive materials. A facile one‐pot hydrothermal approach is reported to synthesize mesoscopic porous Co3O4 or hybrid graphene (GO)/Co3O4 sheet‐on‐sheet racks and blocks. Three basic types of sheet scalability racks can be built in vertical and nonstacked edge orientations, such as neat micro/nanogroove rooms, butterfly wing scales, and wall groves, leading to highly exposed surface converges and sites. In particular, the stacked GO/Co3O4 sheet‐on‐sheet blocks (GO/Co3O4 blocks) can be oriented in vertical tower buildings. The atomic structures of the developed Co3O4 catalysts are dominant along the highly dense {112/111} interfaces and single crystal {111} and {112} facets. The electrochemical performance of the mesoscopic porous Co3O4 catalyst toward methanol and ethanol electrooxidation is evaluated in alkaline conditions. The mesoscopic hybrid GO/Co3O4 racks reveal superior catalytic activity in terms of oxidation currents and onset potentials, indicating the effect of the synergetic role of active Co3+ sites along the densely exposed {112} facets, graphene counterparts, and hierarchically nonstacked sheet racks on the electroactive functionality. Results indicate that the mesoscopic GO/Co3O4 sheet catalyst is suitable for highly efficient electrochemical reactions.
Real‐Time Controls of Designer Surface Plasmon Polaritons Using Programmable Plasmonic Metamaterial
Authors: Zhang Hao Chi , Cui Tie Jun , Xu Jie , Tang Wenxuan , Liu Jun Feng
Published: November 2016

Manipulating the dispersion behaviors of electromagnetic (EM) waves at subwavelength scale provides many exciting physical phenomena and functionalities such as the phase matching, gain enhancement, super resolution, and slow light. Among the dispersion manipulations, surface plasmon polaritons (SPPs) are typical EM modes to control the wave flows owing to their sensitivity to the designed decorations on the metal–dielectric interfaces. However, either on metal–dielectric interfaces or decoration surfaces, it is challenging to construct reconfigurable and programmable SPPs to control SPP waves dynamically in real time. Here, the authors propose the concepts of coding and programmable designer SPPs, which are realized by an ultrathin corrugated metallic strip loaded with active devices and a digital system. Based on the big freedom provided by the coding representation, the authors experimentally demonstrate that a simple programmable SPP system can reach at least three different digital‐analog functionalities: (1) SPP logical gate based on 1‐bit coding; (2) SPP digital phase shifter based on 2‐bit coding; and (3) controllable SPP slow waves based on 4‐bit coding. Such functionalities can be switched in real time using a single prototype and the digital control system.
Iron‐Catalyzed Annulation of 1,2‐Diamines and Diazodicarbonyls for Diverse and Polyfunctionalized Quinoxalines, Pyrazines, and Benzoquinoxalines in Water
Authors: Pandit Rameshwar Prasad , Kim Sung Hong , Lee Yong Rok
Published: November 2016

A novel and facile iron‐catalyzed tandem annulation of o‐phenylenediamines and diazocarbonyls in water for the construction of polyfunctionalized quinoxalines has been developed. The key strategy includes the one‐pot domino N−H insertion, cyclization, and oxidation reactions. This protocol offers a safe and mild synthetic approach to access a variety of quinoxaline derivatives in high yields. This methodology also allows the formation of biologically interesting pyrazines and benzoquinoxalines.

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Monitoring of Energy Conservation and Losses in Molecular Junctions through Characterization of Light Emission
Authors: Ivashenko Oleksii , Bergren Adam Johan , McCreery Richard L.
Published: November 2016

Emission of visible light from large area molecular junctions provides a direct measure of the energy of carriers when they encounter a conducting contact and stimulate photon emission. For carbon/molecule/carbon molecular junctions containing aromatic molecular layers with thicknesses less than 5 nm, transport is elastic, and the maximum emitted photon energy (i.e., “cut‐off” energy, hvco) is equal to eVapp, where Vapp is the bias across the molecular junction. hvco increases monotonically with Vapp, is symmetric with polarity, but is weakly dependent on the nature of the contact material. Light emission from molecular junctions containing oligomeric films of anthraquinone, nitroazobenzene, naphthalene diimide, and bis‐thienyl benzene with thicknesses of 4.5–59 nm is observed as a function of bias. For layers thicker than 5–7 nm, hvco < eVapp, indicating loss of energy and therefore inelastic transport. The energy loss depends strongly on molecular structure and is linear with molecular layer thickness. When the molecular layer thickness exceeds 5–7 nm, the results provide strong evidence for a transition from elastic to inelastic transport and for stepwise, activationless transport up to 65 nm molecular layer thicknesses. Such information proves valuable for determining transport mechanisms and ultimately designing molecular junctions with desirable electronic properties.
Deposition Methods of Graphene as Electrode Material for Organic Solar Cells
Authors: Garg Rajni , Elmas Sait , Nann Thomas , Andersson Mats R.
Published: November 2016

Advances in the research of graphene in the development of optoelectronic devices have clearly witnessed a strong increase in the past few years. Graphene, a zero bandgap semiconducting material exhibits exceptional properties such as high conductivity, mechanical robustness, optical transparency, flexibility and much more yet to be discovered. Due to its extraordinary properties, graphene is believed to have the potential to replace many traditional electrode materials that are being used in optoelectronic devices. To achieve a high device performance various deposition techniques have been developed to deposit a thin, transparent, and uniform layer of graphene on different substrates. However, the success of these methods strongly relies on the processing conditions, resulting morphology and the work function of the graphene films. This review summarizes the developments in the synthesis and deposition methods of graphene electrodes in combination with organic solar cells over the past 10 years.
Acute myeloid leukemia‐associated DNMT3A p.Arg882His mutation in a patient with Tatton‐Brown–Rahman overgrowth syndrome as a constitutional mutation
Authors: Kosaki Rika , Terashima Hiroshi , Kubota Masaya , Kosaki Kenjiro
Published: November 2016

DNA methylation plays a critical role in both embryonic development and tumorigenesis and is mediated through various DNA methyltransferases. Constitutional mutations in the de novo DNA methyltransferase DNMT3A cause a recently identified Tatton‐Brown–Rahman overgrowth syndrome (TBRS). Somatically acquired mutations in DNMT3A are causally associated with acute myeloid leukemia (AML), and p.Arg882His represents the most prevalent hotspot. So far, no patients with TBRS have been reported to have subsequently developed AML. Here, we report a live birth and the survival of a female with the TBRS phenotype who had a heterozygous constitutional DNMT3A mutation at the AML somatic mutation hotspot p.Arg882His in her DNA from peripheral blood and buccal tissue. Her characteristic features at birth included hypotonia, narrow palpebral fissures, ventricular septal defect, umbilical hernia, sacral cyst, Chiari type I anomaly. At the age of 6 years, she exhibited overgrowth (> 3 SD) and round face and intellectual disability. This report represents the first documentation of the same variant (DNMT3A p.Arg882His) as both the constitutional mutation associated with TBRS and the somatic mutation hotspot of AML. The observation neither confirms nor denies the notion that mutations responsible for TBRS and those for AML might share the same mode of action. Larger data sets are required to determine whether TBRS patients with constitutional DNMT3A mutations are at an increased risk for AML. © 2016 Wiley Periodicals, Inc.
Six uneventful pregnancy outcomes in an extended vascular Ehlers–Danlos syndrome family
Authors: Baas Annette F. , Spiering Wilko , Moll Frans L. , Page‐Christiaens Lieve , Beenakkers Ingrid C. M. , Dooijes Dennis , Vonken Evert‐Jan P. A. , van der Smagt Jasper J. , Knoers Nine V. , Koenen Steven V. , van Herwaarden Joost A. , Sieswerda Gertjan Tj.
Published: November 2016

Vascular Ehlers–Danlos Syndrome (vEDS) is caused by heterozygous mutations in COL3A1 and is characterized by fragile vasculature and hollow organs, with a high risk of catastrophic events at a young age. During pregnancy and delivery, maternal mortality rates up until 25% have been reported. However, recent pedigree analysis reported a substantial lower pregnancy‐related mortality rate of 4.9%. Here, we describe an extended vEDS family with multiple uneventful pregnancy outcomes. In the proband, a 37‐year‐old woman, DNA‐analysis because of an asymptomatic iliac artery dissection revealed a pathogenic mutation in COL3A1 (c.980G>A; p. Gly327Asp). She had had three uneventful vaginal deliveries. At the time of diagnosis, her 33‐year‐old niece was 25 weeks pregnant. She had had one uneventful vaginal delivery. Targeted DNA‐analysis revealed that she was carrier of the COL3A1 mutation. Ultrasound detected an aneurysm in the abdominal aorta with likely a dissection. An uneventful elective cesarean section was performed at a gestational age of 37 weeks. The 40‐year‐old sister of our proband had had one uneventful vaginal delivery and an active pregnancy wish. Cascade DNA‐screening showed her to carry the COL3A1 mutation. Computed Tomography Angiography (CTA) of her aorta revealed a type B dissection with the most proximal entry tear just below the superior mesenteric artery. Pregnancy was therefore discouraged. This familial case illustrates the complexity and challenges of reproductive decision‐making in a potentially lethal condition as vEDS, and highlights the importance of a multidisciplinary approach. Moreover, it suggests that previous pregnancy‐related risks of vEDS may be overestimated. © 2016 Wiley Periodicals, Inc.
Evaluating metrics of responsiveness using patient‐reported outcome measures in chronic rhinosinusitis
Authors: Lidder Alcina K. , Detwiller Kara Y. , Price Caroline P.E. , Kern Robert C. , Conley David B. , Shintani‐Smith Stephanie , Welch Kevin C. , Chandra Rakesh K. , Peters Anju T. , Grammer Leslie C. , Man Li‐Xing , Schleimer Robert P. , Tan Bruce K.
Published: November 2016

Background

Responsiveness, or sensitivity to clinical change, is important when selecting patient‐reported outcome measures (PROMs) for research and clinical applications. This study compares responsiveness of PROMs used in chronic rhinosinusitis (CRS) to inform the future development of a highly responsive instrument that accurately portrays CRS patients’ symptom experiences.

Methods

Adult CRS patients initiating medical therapy (MT; n = 143) or undergoing endoscopic sinus surgery after failing MT (ESS; n = 123) completed the 22‐item Sino‐Nasal Outcome Test (SNOT‐22), European Position Statement on Rhinosinusitis (EPOS) visual analog scale (VAS), and 29‐item Patient‐Reported Outcomes Measurement Information System (PROMIS‐29) at baseline and 3 months after treatment. Cohen's d and paired t statistics were used to evaluate the responsiveness of each measure.

Results

Fifty‐two (36.4%) subjects and 42 (34.1%) subjects in the MT and ESS groups, respectively, completed baseline and 3‐month questionnaires. Subjects with and without 3‐month data were similar with respect to baseline demographics, VAS scores, and SNOT‐22 scores (p > 0.05). In MT patients, CRS‐specific measures, like VAS (d = −0.58, p < 0.01; t = −1.81, p > 0.05) and SNOT‐22 (d = −0.70, p < 0.01; t = −3.29, p < 0.05) scores, were more responsive than PROMIS‐29 general health domains (p > 0.05 for Cohen's d). In ESS patients, VAS (d = −1.97; t = −9.63, both p < 0.01) and SNOT‐22 (d = −1.56; t = −9.99, both p < 0.01) scores were similarly more responsive, although changes in PROMIS‐29 domains of Fatigue (d = −0.82, p = 0.01; t = −4.63, p < 0.01), Sleep Disturbance (d = −0.83; t = −3.77, both p < 0.01), and Pain Intensity (d = −1.0; t = −5.67, both p < 0.01) were significant. All 22 individual SNOT‐22 items differed significantly after surgery, whereas only 8 items were consistently responsive after MT.

Conclusions

For both MT and ESS patients, CRS‐specific PROMs are more responsive to posttreatment clinical changes than general health measures. Still, the SNOT‐22 contains items that likely decrease its overall responsiveness. Our findings also indicate that existing PROMs had a greater response to ESS than MT.
Bestimmung von Strukturinformation aus experimentellen Messdaten für Biomoleküle
Authors: van Gunsteren Wilfred F. , Allison Jane R. , Daura Xavier , Dolenc Jožica , Hansen Niels , Mark Alan E. , Oostenbrink Chris , Rusu Victor H. , Smith Lorna J.
Published: November 2016

Während des letzten halben Jahrhunderts hat die Anzahl und die Genauigkeit von experimentellen Verfahren, welche imstande sind, Werte von beobachtbaren Größen für biomolekulare Systeme zu liefern, stetig zugenommen. Die Umwandlung eines Messwerts Qexp einer beobachtbaren Größe Q in strukturelle Information stellt jedoch eine Aufgabe dar, welche theoretische und praktische Probleme mit sich bringt: 1) mangelhafte oder ungenaue Werte Qexp, 2) Ungenauigkeiten im verwendeten funktionalen Zusammenhang
, zur Verknüpfung der Größe Q mit der Struktur
, 3) die Beschreibung der messungsinhärenten Mittelung von Qexp, 4) die Handhabung einer mehrdeutigen Umkehrfunktion
zur Funktion
, um nur einige zu nennen. Diese Problemstellungen treffen auf eine Vielzahl beobachtbarer Größen Q und Messverfahren zu, wie z. B. Röntgen‐ und Neutronenbeugung, Kleinwinkel‐ und Weitwinkel‐Röntgenstreuung, Bildgebung mittels Freier‐Elektronen‐Laser, Kryo‐Elektronenmikroskopie, Kernspinresonanz, paramagnetische Elektronenresonanz, Infrarot‐ und Raman‐Spektroskopie, Zirkulardichroismus, Förster‐Resonanz‐Energietransfer, Rasterkraftmikroskopie und Ionenmobilitäts‐Massenspektrometrie. Das Vorgehen, Strukturinformation aus Messdaten zu gewinnen, wird anhand von Beispielen aus der Literatur, welche die Auswirkungen der vielfältigen zu treffenden Entscheidungen und Näherungen aufzeigen, besprochen. Die Ausführungen richten sich dabei in erster Linie an Nichtexperten und Anfänger auf dem Gebiet. Eine Auflistung an Entscheidungen, die es zu vermeiden gilt, wird bereitgestellt.
Decarboxylative [4+2] Cycloaddition by Synergistic Palladium and Organocatalysis
Authors: Leth Lars A. , Glaus Florian , Meazza Marta , Fu Liang , Thøgersen Mathias K. , Bitsch Emma A. , Jørgensen Karl Anker
Published: November 2016

A novel reaction based on synergistic catalysis, combining palladium‐ and organocatalysis has been developed. The palladium catalyst activates vinyl benzoxazinanones via a decarboxylation to undergo a [4+2] cycloaddition with iminium‐ion activated α,β‐unsaturated aldehydes. The reaction is demonstrated to proceed for a number of combinations of vinyl benzoxazinanones reacting with α,β‐unsaturated aldehydes, providing highly substituted vinyl tetrahydroquinolines in good to high yields, and excellent enantio‐ and diastereoselectivities (>98 % ee and >20:1 d.r.). The palladium catalyst used in the synergistic catalysis can be re‐used in a one‐pot sequential coupling reaction with an aromatic boronic acid forming the coupling product in 95 % yield, >20:1 d.r. and 99 % ee.
Sugar–Edge Interactions in a DNA–RNA G‐Quadruplex: Evidence of Sequential C−H⋅⋅⋅O Hydrogen Bonds Contributing to RNA Quadruplex Folding
Authors: Dickerhoff Jonathan , Appel Bettina , Müller Sabine , Weisz Klaus
Published: November 2016

DNA G‐quadruplexes were systematically modified by single riboguanosine (rG) substitutions at anti‐dG positions. Circular dichroism and NMR experiments confirmed the conservation of the native quadruplex topology for most of the DNA–RNA hybrid structures. Changes in the C8 NMR chemical shift of guanosines following rG substitution at their 3′‐side within the quadruplex core strongly suggest the presence of C8−H⋅⋅⋅O hydrogen‐bonding interactions with the O2′ position of the C2′‐endo ribonucleotide. A geometric analysis of reported high‐resolution structures indicates that such interactions are a more general feature in RNA quadruplexes and may contribute to the observed preference for parallel topologies.
Preparation and characterization of soluble bismaleimide‐triazine resins based on asymmetric bismaleimide
Authors: Ren Zhidong , Cheng Yuanrong , Li Yan , Xiao Fei
Published: November 2016

A series of bismaleimide‐triazine resins (EBT) were prepared from 2‐(4′‐maleimido)phenyl‐2‐(4′‐maleimidophenoxyl)phenylbutane (EBA‐BMI) and 2,2‐bis(4‐cyanatophenyl)propane (BADCy). The resins show attractive processability with good solubility in low boiling point solvents and wide processing temperature windows. Introduction of diallylbisphenol A (DBA) can decrease the curing temperature of EBT resins that the curing exothermic peak temperature shifted from 291 to 237 °C as the content of DBA increased from 0 to 20%. The curing condition influenced the thermal properties of the cured EBT resins. The glass transition temperature increased as the curing temperature and curing time increased. The cured EBT resins show high glass transition temperature up to 352 °C, high thermal stability with 5% weight loss temperature over 405 °C, low coefficient of thermal expansion about 45 to 52 ppm/°C, and high storage modulus up to 2.6 GPa at 250 °C. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44519.
In situ formed internal water channels improving water swelling and mechanical properties of water swellable rubber composites
Authors: Dehbari Nazila , Tavakoli Javad , Zhao Jinchao , Tang Youhong
Published: November 2016

In this study, electrospun nanofibers of poly (vinyl alcohol) (PVA) and styrene–butadiene–styrene triblock copolymer (SBS) were employed in conventional water‐swellable rubber (WSR) to design WSR composites with improved water swelling and mechanical properties. With the introduction of PVA nanofibers, considerable improvement in elasticity, strength, and water‐swelling behavior was observed. After immersion, PVA nanofibers dissolved within the composite to in situ form water channels to connect isolated super‐absorbent polymers (SAPs). Those water channels led to an increase in water uptake by the WSR composite. Furthermore, the secondary water‐swelling behaviors of the WSR composite showed a remarkable increase in swelling rate as well as in mechanical properties. The addition of SBS nanofibers had a marked impact on the mechanical properties of the WSR composite. Their roles became more pronounced after water immersion. The proposed enhancement mechanism is also discussed. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44548.
Sulfated katira gum‐graft‐poly(N‐vinyl imidazole): A useful scavenger of mercury(II) ions
Authors: Kolya Haradhan , Jana Debprasad , Sasmal Dinabandhu , Jana Subinoy , Tripathy Tridib
Published: November 2016

Katira gum‐graft‐poly(N‐vinyl imidazole) was synthesized in a water medium with potassium perdisulfate as the free‐radical initiator at 70 ± 1 °C. The graft copolymer was sulfated by chlorosulfonic acid in the presence of pyridine and formamide. Various characterization techniques, including Fourier transform infrared (FTIR) spectroscopy and field emission scanning electron microscopy, were used to characterize both the unsulfated and sulfated graft copolymers. The sulfated graft copolymer was used for the adsorption of Hg(II) ions from its aqueous solution. The operating variables affecting the Hg(II) adsorption, including the solution pH, amount of sulfated graft copolymer, contact time, and concentration of Hg(II), were investigated extensively. The sulfated graft copolymer was also used for competitive metal‐ion removal with Pb(II), Cd(II), Cu(II), and Zn(II). Metal complexation was studied with FTIR spectroscopy, ultraviolet–visible (UV–vis) spectroscopy, and cyclic voltammetry analysis. The Hg(II) adsorption data of the sulfated graft copolymer were described well by the pseudo‐second‐order rate equation. The Langmuir adsorption isotherm provided the best correlation for the adsorption data. Various thermodynamic parameters for the adsorption were calculated. FTIR and UV–vis spectroscopy and cyclic voltammetry analysis before and after the adsorption of Hg(II) on the sulfated graft copolymer showed that columbic attraction was mainly responsible for the binding of the Hg(II) ions with the 
groups present in the sulfated graft copolymer. The sulfated graft copolymer showed a better adsorption performance than the graft copolymer itself under optimized conditions. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44565.
Development of chitosan/Spirulina bio‐blend films and its biosorption potential for dyes
Authors: Silva J. M. , Farias B. S. , Gründmann D. D. R. , Cadaval T. R. S. , Moura J. M. , Dotto G. L. , Pinto L. A. A.
Published: November 2016

Chitosan/Spirulina bio‐blends (CSBB) in films form were developed to be an alternative/renewable biosorbent, able to remove anionic and cationic dyes from aqueous solutions. CSBB potential as biosorbent was investigated for cationic dye Methylene Blue (MB), and anionic dyes Tartrazine Yellow (TY) and Reactive Black 5 (RB5). Chitosan and Spirulina samples were obtained and characterized, and CSBB films were prepared with different chitosan/Spirulina ratios. The CSBB films characteristics, as, mechanical properties, thermal profile, crystallinity, functional groups, morphology, and biosorption potential were strongly dependent of chitosan/Spirulina ratio. CSBB films preserved its mechanical structures at pH from 4.0 to 8.0. The biosorption capacities were 120, 110, and 100 mg g−1 for RB5, TY, and MB, respectively. The increase of chitosan amount favored the TY and RB5 biosorption; however, the increase of Spirulina amount favored the MB biosorption. Thus, the CSBB in film form is a renewable biosorbent suitable to remove anionic and cationic dyes from aqueous solutions. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44580.
Insights for Indigenous Policy from the Applied Behavioural Sciences
Authors: Biddle Nicholas
Published: November 2016

People are neither completely rational, nor completely random in their decisions. Rather, they exhibit predictable biases that not only make it less likely that they will achieve their own stated desires, but also complicate the design and efficiency of public policy. These are some of the insights of the emerging applied behavioural sciences. With some notable exceptions, these insights have not always filtered through to policy formulation. Policy related to Aboriginal and Torres Strait Islander (Indigenous) Australians is one example of an area where insights from the applied behavioural sciences have the potential to improve the quality of policy decisions. A large amount of government funds is spent on Indigenous people reflecting a high degree of disadvantage. This paper provides new data and insights to understand the patterns and factors associated with decisions made by Indigenous people, thereby helping to improve the effectiveness of Indigenous policy.
Utilization of Red‐Light‐Emitting CdTe Nanoparticles for the Trace‐Level Detection of Harmful Herbicides in Adulterated Food and Agricultural Crops
Authors: Dey Nilanjan , Bhagat Deepa , Cherukaraveedu Durgadas , Bhattacharya Santanu
Published: November 2016

Red‐light‐emitting water‐soluble semiconducting quantum dots (QDs) were synthesized by using a wide variety of commercially available thiol‐type capping agents. QDs with a negatively charged nanosurface showed excellent selectivity for paraquat (PQ) at pH 7.4 over other commonly encountered pesticides/herbicides, including diquat (DQ). The presence of a 4,4′‐bis‐pyridinium unit in PQ enabled it to initiate long‐range aggregation, thereby leading to the formation of nanostructures with excellent emission‐quenching behavior. Precoated quartz plates were developed as a low‐cost, portable sensor for the on‐site detection of PQ in both natural water and human urine. Estimation of the PQ concentration was performed in different commercial formulations and the detection of PQ contamination in adulterated dairy product was also achieved with excellent sensitivity. Finally, we screened more than 50 different food items, including vegetables, fruits, cereals, and fodders, to construct a generalized marker for any residual PQ in such specimens.
The interannual relationship between anomalous precipitation over southern China and the south eastern tropical Indian Ocean sea surface temperature anomalies during boreal summer
Authors: Huo Liwei , Jin Dachao
Published: November 2016

The relationship between anomalous precipitation in the Guangxi Autonomous Region and Guangdong Province (GG) and sea surface temperature anomalies (SSTA) over the south eastern tropical Indian Ocean (SETIO) during the boreal summer is investigated using observational data, reanalysis data and the atmospheric linear baroclinic model. It is demonstrated that the anomalous precipitation in GG (PGG) has a significantly negative correlation with the SSTA in SETIO. The warm SSTA in SETIO could induce below normal PGG in at least three ways. First, the warming over SETIO can cause two cyclonic circulations along the tropical Indian Ocean and easterlies from the tropical central Pacific though Matsuno‐Gill responses. The easterlies have the advantage of maintaining the anomalous negative vorticity in GG. Second, the water vapour diverges from SETIO and converges in GG. Finally, the anomalous ascent motion in SETIO is enhanced, which favours the strengthening of the anomalous local Hadley circulation over East Asia. The anomalous local Hadley circulation causes the anomalous descent motion in GG. All these anomalous circulations could favour below normal rainfall in GG and vice versa. This suggests the SSTA over SETIO could be a monitor of PGG.
A highly selective fluorescent chemosensor for Cu2+: synthesis and properties of a rhodamine B‐containing diarylethene
Authors: Xue Dandan , Zheng Chunhong , Qu Shengzu , Liao Guanming , Fan Congbin , Liu Gang , Pu Shouzhi
Published: November 2016

A diarylethene bearing a triazole‐linked rhodamine B unit was synthesized. Its fluorescent emission was significantly enhanced in the presence of protons or Cu2+ due to transformation from the pirocyclic form to open‐ring form. The fluorescence was quenched sequentially upon irradiation with 297 nm light based on the intramolecular fluorescence resonance energy transfer mechanism. In an acetonitrile: water binary solvent (1: 1 v/v), the compound showed significant fluorescent enhancement for Cu2+ compared with a wide range of tested metal ions with a fast response and a limit of detection of 2.86 × 10−8 mol L−1. Using Cu2+ and UV light as the chemical inputs, and fluorescence intensity at 597 nm as the output, a logic gate was developed at the molecular level. Moreover, the compound can be used with a high accuracy to detect Cu2+ in a natural water sample.
Improved fermentative production of gamma‐aminobutyric acid via the putrescine route: Systems metabolic engineering for production from glucose, amino sugars, and xylose
Authors: Jorge João M. P. , Nguyen Anh Q. D. , Pérez‐García Fernando , Kind Stefanie , Wendisch Volker F.
Published: November 2016

Gamma‐aminobutyric acid (GABA) is a non‐protein amino acid widespread in Nature. Among the various uses of GABA, its lactam form 2‐pyrrolidone can be chemically converted to the biodegradable plastic polyamide‐4. In metabolism, GABA can be synthesized either by decarboxylation of l‐glutamate or by a pathway that starts with the transamination of putrescine. Fermentative production of GABA from glucose by recombinant Corynebacterium glutamicum has been described via both routes. Putrescine‐based GABA production was characterized by accumulation of by‐products such as N‐acetyl‐putrescine. Their formation was abolished by deletion of the spermi(di)ne N‐acetyl‐transferase gene snaA. To improve provision of l‐glutamate as precursor 2‐oxoglutarate dehydrogenase activity was reduced by changing the translational start codon of the chromosomal gene for 2‐oxoglutarate dehydrogenase subunit E1o to the less preferred TTG and by maintaining the inhibitory protein OdhI in its inhibitory form by changing amino acid residue 15 from threonine to alanine. Putrescine‐based GABA production by the strains described here led to GABA titers up to 63.2 g L−1 in fed‐batch cultivation at maximum volumetric productivities up to 1.34 g L−1 h−1, the highest volumetric productivity for fermentative GABA production reported to date. Moreover, GABA production from the carbon sources xylose, glucosamine, and N‐acetyl‐glucosamine that do not have competing uses in the food or feed industries was established. Biotechnol. Bioeng. 2017;114: 862–873. © 2016 Wiley Periodicals, Inc.
Normal radiological unossified hip joint space and femoral head size development during growth in 675 children and adolescents
Authors: Wegener Veronika , Jorysz Gabriele , Arnoldi Andreas , Utzschneider Sandra , Wegener Bernd , Jansson Volkmar , Heimkes Bernhard
Published: November 2016

Evaluation of hip joint space width during child growth is important to aid in the early diagnosis of hip pathology in children. We established reference values for hip joint space and femoral head size for each age. Hip joint space development during growth was retrospectively investigated medial and cranial in 1350 hip joints of children using standard anteroposterior supine plain pelvic radiographs. Maximum capital femoral epiphysis diameter and femoral radii were further more investigated. Hip joint space values show a slow decline during growth. Joint space was statistically significantly (p < 0.006) larger in boys than girls. Our hip joint space measurements on supine subjects seem slightly larger than those reported by Hughes on standing subjects. Evaluation of the femoral head diameter and the radii showed a size curve quite parallel to the known body growth charts. Radii medial and perpendicular to the physis are not statistically significantly different. We recommend to compare measurements of hip joint space at two locations to age dependent charts using the same imaging technique. During growth, a divergence in femoral head size from the expected values or loss of the spherical shape should raise the question of hip disorder. Clin. Anat. 30:267–275, 2017. © 2016 Wiley Periodicals, Inc.
Recent Advances in Boron‐Substituted 1,3‐Dienes Chemistry: Synthesis and Application
Authors: Pyziak Jadwiga , Walkowiak Jędrzej , Marciniec Bogdan
Published: November 2016

In the syntheses developed to access naturally occurring compounds, especially bioactive substances, boron‐functionalized dienes (also “linchpin” reagents) are used as key reagents. Structurally unique dienes are found in nature, and play important biological and chemical roles. Recently, linchpin moieties have been proved as useful substrates for a variety of highly functionalized chemical transformations. The products of these processes are potentially of some use for the syntheses of an important class of natural products showing a wide range of biological activities. This review describes progress in the synthesis of borylsubstituted buta‐1,3‐dienes as well as their application in organic chemistry.
Observation of Slow Relaxation and Single‐Molecule Toroidal Behavior in a Family of Butterfly‐Shaped Ln4 Complexes
Authors: Biswas Sourav , Das Sourav , Gupta Tulika , Singh Saurabh Kumar , Pissas Michael , Rajaraman Gopalan , Chandrasekhar Vadapalli
Published: November 2016

A family of five isostructural butterfly complexes with a tetranuclear [Ln4] core of the general formula [Ln4(LH)2(μ2‐η1η1Piv)(η2‐Piv)(μ3‐OH)2]⋅x H2O⋅y MeOH⋅z CHCl3 (1: Ln=DyIII, x=2, y=2, z=0; 2: Ln=TbIII, x=0, y=0, z=6; 3: Ln=ErIII, x=2, y=2, z=0; 4: Ln=HoIII, x=2, y=2, z=0; 5: Ln=YbIII, x=2, y=2, z=0; LH4=6‐{[bis(2‐hydroxyethyl)amino]methyl}‐N′‐(2‐hydroxy‐3‐methoxybenzylidene)picolinohydrazide; PivH=pivalic acid) was isolated and characterized both structurally and magnetically. Complexes 1–5 were probed by direct and alternating current (dc and ac) magnetic susceptibility measurements and, except for 1, they did not display single‐molecule magnetism (SMM) behavior. The ac magnetic susceptibility measurements show frequency‐dependent out‐of‐phase signals with one relaxation process for complex 1 and the estimated effective energy barrier for the relaxation process was found to be 49 K. We have carried out extensive ab initio (CASSCF+RASSI‐SO+SINGLE_ANISO+POLY_ANISO) calculations on all the five complexes to gain deeper insights into the nature of magnetic anisotropy and the presence and absence of slow relaxation in these complexes. Our calculations yield three different exchange coupling for these Ln4 complexes and all the extracted J values are found to be weakly ferro/antiferromagentic in nature (J1=+2.35, J2=−0.58, and J3=−0.29 cm−1 for 1; J1=+0.45, J2=−0.68, and J3=−0.29 cm−1 for 2; J1=+0.03, J2=−0.98, and J3=−0.19 cm−1 for 3; J1=+4.15, J2=−0.23, and J3=−0.54 cm−1 for 4 and J1=+0.15, J2=−0.28, and J3=−1.18 cm−1 for 5). Our calculations reveal the presence of very large mixed toroidal moment in complex 1 and this is essentially due to the specific exchange topology present in this cluster. Our calculations also suggest presence of single‐molecule toroics (SMTs) in complex 2. For complexes 3–5 on the other hand, the transverse anisotropy was computed to be large, leading to the absence of slow relaxation of magnetization. As the magnetic field produced by SMTs decays faster than the normal spin moments, the concept of SMTs can be exploited to build qubits in which less interference and dense packing are possible. Our systematic study on these series of Ln4 complexes suggest how the ligand design can help to bring forth such SMT characteristics in lanthanide complexes.
Visualizing and Quantifying Interactions in the Excited State
Authors: Vannay Laurent , Brémond Eric , de Silva Piotr , Corminboeuf Clémence
Published: November 2016

Determining the location and nature of the electron pairs within a molecule provides an intuitive representation of electronic structures. Yet, most of the available theoretical representations are not suitable for describing excited state phenomena. The density overlap region indicator (DORI) scalar field, which depends only on the density and its derivatives, overcomes previous limitations, while keeping the intuitiveness of popular scalar fields. Here, its usefulness is demonstrated by pinpointing visual and numericalDORIsignatures for both intra‐ and intermolecular excited state situations.
Cooperative Activation of Isocyanates by Al–N‐Based Active Lewis Pairs and the Generation of a C5 Chain by Simultaneous Formation of Two C–C Bonds
Authors: Martinewski Katharina , Holtrichter‐Rößmann Thorsten , Rösener Christian , Hepp Alexander , Würthwein Ernst‐Ulrich , Uhl Werner
Published: November 2016

The active Al/N Lewis pair, (Me3C)2Al−C(SiMe3)=C(H)−N(CHMe‐CH2)2CH2 (2), reacted with isocyanates to afford a fascinating variety of products. One equivalent of Ph−N=C=O yielded by the release of H−C≡C−SiMe3 an urea‐type ligand which coordinated the Al atom in a chelating manner (4). Dipp‐N=C=O gave a similar product, but the bulky substituent hindered the approach of the N‐aryl group to Al. A situation similar to that of frustrated Lewis pairs resulted in the coordination of the alkyne to the Al and N atoms (6) by C−H bond activation. Dual insertion was observed upon treatment of 2 with two equivalents of isocyanates (8 to 11). The preferred formation of cyclic oligomers is prevented by the specific cooperative properties of the Lewis pair. A metal‐free dimeric isocyanate (13) was formed by hydrolysis. Replacement of the CMe3 groups in 2 by less bulky isobutyl groups (7) afforded the insertion of two isocyanate molecules into the Al–vinyl bonds without alkyne elimination. The resulting highly functionalised compound had a chain formed by two isocyanates and the organic backbone of the Lewis pair. Me3C−N=C=O and 2 afforded a unique compound (14) in which an isocyanate ligand connects two molecules of 2 by the release of dimethylpiperidine. The combination of a C1 building block and two C2 groups gave an unsaturated branched C5 moiety by the simultaneous formation of two C−C bonds. The molecular structure showed an interaction between an Al atom and a C−C π‐bond.
A Quantitative Study of the Effects of Guest Flexibility on Binding Inside a Coordination Cage Host
Authors: Taylor Christopher G. P. , Cullen William , Collier Olivia M. , Ward Michael D.
Published: November 2016

We have performed a systematic investigation of the effects of guest flexibility on their ability to bind in the cavity of a coordination cage host in water, using two sets of isomeric aliphatic ketones that differ only in the branching patterns of their alkyl chains. Apart from the expected increase in binding strength for C9 over C7 ketones associated with their greater hydrophobic surface area, within each isomeric set there is a clear inverse correlation between binding free energy and guest flexibility, associated with loss of conformational entropy. This can be parameterized by the number of rotatable C−C bonds in the guest, with each additional rotatable bond resulting in a penalty of around 2 kJ mol−1 in the binding free energy, in good agreement with values obtained from protein/ligand binding studies. We used the binding data for the new flexible guests to improve the scoring function that we had previously developed that allowed us to predict binding constants of relatively rigid guests in the cage cavity using the molecular docking programme GOLD (Genetic Optimisation of Ligand Docking). This improved scoring function resulted in a significant improvement in the ability of GOLD to predict binding constants for flexible guests, without any detriment to its ability to predict binding for more rigid guests.