bluuebunny/crossref_metadata_2025 huggingface dataset:
Better Movers and Thinkers (BMT): An Exploratory Study of an Innovative Approach to Physical Education
Authors: Dalziell Andrew , Boyle James , Mutrie Nanette
Published: November 2015

Recent research has confirmed a positive relationship between levels of physical activity and academic achievement. Some of these studies have been informed by neurological models of Executive Functioning (EF). There is a general consensus within the literature that the three core EF skills are; working memory, inhibitory control and cognitive flexibility. The development of these core EF skills has been linked with learning and academic achievement and is an essential component in the delivery of PE using a new and innovative approach called ‘Better Movers and Thinkers (BMT).’ A mixed methods design was used to investigate the effectiveness and feasibility of a 16-week intervention programme using BMT where 46 children were tested on two separate occasions for coordination and balance control, academic skills, working memory and non-verbal reasoning skills. One school acted as the control condition (21 students, aged 9 – 10 years) and another school acted as the intervention condition (25 students, aged 9 – 10 years). Quantitative data revealed an effect between pre and post-test conditions in the areas of phonological skills (p = .042), segmentation skills (p = .014) and working memory (p = .040) in favour of the intervention condition. Further analysis identified a gender-interaction with male students in the intervention condition making significant gains in phonological skills (p = .005) segmentation skills (p = .014) and spelling (p = .007) compared to boys in the control condition. Analysis of qualitative data from a sample of students from the intervention condition and their class teacher indicated good acceptability of BMT as an alternative approach to PE.
Sibling Relation, Ethnic Prejudice, Direct and Indirect Contact: There is a Connection?
Authors: Alfieri Sara , Marta Elena
Published: November 2015

The literature on the socialisation of prejudice has concentrated on “vertical” processes (from parents to children), ignoring siblings’ contribution. This work aims to investigate the effect of contact (direct or indirect) with the outgroup that young people experience a) directly or b) indirectly through older or younger siblings’ friendships. Our hypotheses are a) that young people with friends in the outgroup will report lower prejudice levels (direct contact), as will young people who have older or younger siblings with friends in the outgroup (indirect contact); b) that other forms of contact such as having classmates/coworkers, neighbours, or employees are not effective in reducing either direct or indirect prejudice. 88 sibling dyads were administered the blatant and subtle prejudice questionnaire (Pettigrew & Meertens, 1995) and some ad hoc items aimed at investigating the typology of the contact experienced. The analysis of mixed ANOVA reveals that the first hypothesis was partially confirmed in that prejudice (subtle for the younger sibling and blatant for the older one) decreases in a statistically significant way only when there is the co-presence of direct and indirect contact. The second hypothesis is fully confirmed as no statistically significant differences emerged between the groups.
What Do Physicians Believe About the Way Decisions Are Made? A Pilot Study on Metacognitive Knowledge in the Medical Context
Authors: Iannello Paola , Perucca Valeria , Riva Silvia , Antonietti Alessandro , Pravettoni Gabriella
Published: November 2015

Metacognition relative to medical decision making has been poorly investigated to date. However, beliefs about methods of decision making (metacognition) play a fundamental role in determining the efficiency of the decision itself. In the present study, we investigated a set of beliefs that physicians develop in relation to the modes of making decisions in a professional environment. The Solomon Questionnaire, designed to assess metacognitive knowledge about behaviors and mental processes involved in decision making, was administered to a sample of 18 emergency physicians, 18 surgeons, and 18 internists. Significant differences in metacognitive knowledge emerged among these three medical areas. Physicians’ self-reports about the decision process mirrored the peculiarities of the context in which they operate. Their metacognitive knowledge demonstrated a reflective attitude that is an effective tool during the decision making process.
Estimation of defect activation energy around pn interfaces of Cu(In,Ga)Se2 solar cells using impedance spectroscopy
Authors: Sakakura Hidenori , Itagaki Masayuki , Sugiyama Mutsumi
Published: November 2015

We investigate the defect activation energy around the pn interface of Cu(In,Ga)Se2 (CIGS)-based solar cells using a simple electrochemical impedance spectroscopy. By applying AC and DC voltages to the solar cells, we observed an “inductive” element around the pn interface, which is ignored in conventional deep-level transient spectroscopy or admittance spectroscopy. A defect model is evaluated by proposing an equivalent circuit that includes a positive/negative constant phase element (CPE) to represent the area around the CdS/CIGS interface. By fitting the impedance data, the CPE index and CPE constant show a relationship with the defect activation energy or defect concentration. This result is significant because it may help reveal the defect properties of CIGS solar cells or any other semiconductor devices.
Effective surface treatment for GaN metal–insulator–semiconductor high-electron-mobility transistors using HF plus N2 plasma prior to SiN passivation
Authors: Liu Shih-Chien , Trinh Hai-Dang , Dai Gu-Ming , Huang Chung-Kai , Dee Chang-Fu , Majlis Burhanuddin Yeop , Biswas Dhrubes , Chang Edward Yi
Published: November 2015

An effective surface cleaning technique is demonstrated for the GaN metal–insulator–semiconductor high-electron-mobility transistor (MIS-HEMT) passivation process. In this study, dilute HF solution and in situ N2 plasma treatments were adopted to remove the native oxide and recover the nitrogen-vacancy defects at the GaN surface before device passivation. To investigate the correlation between the properties of the SiN/GaN interface and the device performance, the GaN MIS-HEMTs were characterized using current–voltage (I–V) measurement, capacitance–voltage (C–V) measurement, and X-ray photoelectron spectroscopy (XPS) analysis. With the application of this surface treatment technique, the device exhibits improved I–V characteristics with low leakage current, low dynamic ON-resistance, and good C–V response with a steep slope. Overall, the results reveal that the oxide-related bonds and nitrogen-vacancy defects at the SiN/GaN interface are the root cause of the GaN MIS-HEMTs performance degradation.
Empirical model of lower band chorus wave distribution in the outer radiation belt
Authors: Agapitov O. V. , Artemyev A. V. , Mourenas D. , Mozer F. S. , Krasnoselskikh V.
Published: November 2015

Accurate modeling of wave‐particle interactions in the radiation belts requires detailed information on wave amplitudes and wave‐normal angular distributions over L shells, magnetic latitudes, magnetic local times, and for various geomagnetic activity conditions. In this work, we develop a new and comprehensive parametric model of VLF chorus waves amplitudes and obliqueness in the outer radiation belt using statistics of VLF measurements performed in the chorus frequency range during 10 years (2001–2010) aboard the Cluster spacecraft. We used data from the Spatio‐Temporal Analysis of Field Fluctuations‐Spectrum Analyzer experiment, which spans a total frequency range from 8 Hz to 4 kHz. The statistical model is presented in the form of an analytical function of latitude and Kp (or Dst) index for day and night sectors of the magnetosphere and for two ranges of L shells above the plasmapause, from L = 4 to 5 and from L = 5 to 7. This model can be directly applied for numerical calculations of charged particle pitch angle and energy diffusion coefficients in the outer radiation belt, allowing to study with unprecedented detail their statistical properties as well as their important spatiotemporal variations with geomagnetic activity.
InSAR bias and uncertainty due to the systematic and stochastic tropospheric delay
Authors: Fattahi Heresh , Amelung Falk
Published: November 2015

We quantify the bias and uncertainty of interferometric synthetic aperture radar (InSAR) displacement time series and their derivatives, the displacement velocities, by analyzing the systematic and stochastic components of the temporal variation of the tropospheric delay. The biases due to the systematic seasonal delay depend on the SAR acquisition times, whereas the uncertainties depend on the standard deviation of the random delay, the number of acquisitions, the total time span covered, and the covariance of the time series of the stochastic delay between a pixel and the reference. We study the contribution of the wet delay to the InSAR observations along the western India plate boundary using (i) Moderate Resolution Imaging Spectroradiometer precipitable water vapor, (ii) stratified tropospheric delay estimated from the ERA‐I global atmospheric model, and (iii) seven Envisat InSAR swaths. Our analysis indicates that the amplitudes of the annual delay vary by up to ~10 cm in this region equivalent to a maximum displacement bias of ~24 cm in InSAR line of sight direction between two epochs (assuming Envisat IS6 beam mode). The stratified tropospheric delay correction mitigates this bias and reduces the scatter due to the stochastic delay. For ~7 years of Envisat acquisitions along the western India plate boundary, the uncertainty of the InSAR velocity field due to the residual stochastic wet delay after stratified tropospheric delay correction using the ERA‐I model is in the order of ~2 mm/yr over 100 km and ~4 mm/yr over 400 km. We discuss the implication of the derived uncertainties on the full variance‐covariance matrix of the InSAR data.
Winter/summer transition in the Antarctic mesopause region
Authors: Lübken F.‐J. , Höffner J. , Viehl T. P. , Becker E. , Latteck R. , Kaifler B. , Murphy D. J. , Morris R. J.
Published: November 2015

A new set of temperature data with unprecedented resolution and accuracy has been obtained from Fe lidar measurements at Davis, Antarctica (69°S). Here we concentrate on the months of the winter/summer transition (November to February) where we have collected a total of 1305 h of observations in the three seasons 2010/2011, 2011/2012, and 2012/2013. The temporal development of temperatures around the mesopause in 2012/2013 is rather similar to the Northern Hemisphere (NH), whereas the other seasons are significantly different, exhibiting, e.g., an unusual higher and colder mesopause around solstice (elevated summer mesopause). During this exceptional period mean daily mesopause heights and temperatures are approximately 92.0 ± 0.5 km and 125 K, respectively. The seasonal variation of temperatures in the mesopause region is closely related to the circulation in the stratosphere which exhibits an early (late) vortex breakdown in 2012/2013 (2010/2011). The situation is more complicated in 2011/2012. The early (late) transition in the mesopause region is accompanied by an early (late) appearance of polar mesosphere summer echoes. Zonal winds as measured by an MF radar also show systematic differences with westward winds reaching up to very high altitudes (nearly 100 km) for the late transition in 2010/2011 and to more common heights (∼90 km) for the early transition in 2012/2013. A mesopause being higher and colder compared to the NH (as occasionally observed at Davis) cannot be achieved by standard models. More sophisticated characterization of gravity wave forcing might be required.
Information content of MOPITT CO profile retrievals: Temporal and geographical variability
Authors: Deeter M. N. , Edwards D. P. , Gille J. C. , Worden H. M.
Published: November 2015

Satellite measurements of tropospheric carbon monoxide (CO) enable a wide array of applications including studies of air quality and pollution transport. The MOPITT (Measurements of Pollution in the Troposphere) instrument on the Earth Observing System Terra platform has been measuring CO concentrations globally since March 2000. As indicated by the Degrees of Freedom for Signal (DFS), the standard metric for trace‐gas retrieval information content, MOPITT retrieval performance varies over a wide range. We show that both instrumental and geophysical effects yield significant geographical and temporal variability in MOPITT DFS values. Instrumental radiance uncertainties, which describe random errors (or “noise”) in the calibrated radiances, vary over long time scales (e.g., months to years) and vary between the four detector elements of MOPITT's linear detector array. MOPITT retrieval performance depends on several factors including thermal contrast, fine‐scale variability of surface properties, and CO loading. The relative importance of these various effects is highly variable, as demonstrated by analyses of monthly mean DFS values for the United States and the Amazon Basin. An understanding of the geographical and temporal variability of MOPITT retrieval performance is potentially valuable to data users seeking to limit the influence of the a priori through data filtering. To illustrate, it is demonstrated that calculated regional‐average CO mixing ratios may be improved by excluding observations from a subset of pixels in MOPITT's linear detector array.
Quaternized Pyridyloxy Phthalocyanines Render Aqueous Electron‐Donor Carbon Nanotubes as Unprecedented Supramolecular Materials for Energy Conversion
Authors: Anaya‐Plaza Eduardo , Oliva María Moreno , Kunzmann Andreas , Romero‐Nieto Carlos , Costa Rubén D. , de la Escosura Andrés , Guldi Dirk M. , Torres Tomás
Published: November 2015

Exploring new properties in known materials, sometimes even achieving behaviors opposite to those traditionally encountered, is a fundamental aspect of innovation in materials science. In the field of energy conversion, for example, the development of water‐processed organic solar cells provides environmentally friendlier materials, which contribute to reduce health risks. Herein, a novel approach is described to produce water‐soluble electron‐donor single wall carbon nanotube (SWCNT) hybrids based on the noncovalent immobilization of quaternized pyridyloxy zinc phthalocyanines (ZnPc) with a varying number of pyridyl substituents. Moreover, the excellent electron‐accepting ability of the latter ZnPcs is reported. The introduction of tert‐butylphenyl groups at the pyridines enables for the first time a complete characterization. The electron‐acceptor nature of the ZnPcs enables switching the role of SWCNTs within the resulting supramolecular hybrids. Finally, a proof‐of‐concept demonstration of the SWCNT/ZnPc hybrids' capacity for energy conversion is presented, paving their way to possible use as active layer material in solar cells processed entirely from aqueous solutions.
Controllable ZnMgO Electron‐Transporting Layers for Long‐Term Stable Organic Solar Cells with 8.06% Efficiency after One‐Year Storage
Authors: Yin Zhigang , Zheng Qingdong , Chen Shan‐Ci , Cai Dongdong , Ma Yunlong
Published: November 2015

Currently, one main challenge in organic solar cells (OSCs) is to achieve both good stability and high power conversion efficiencies (PCEs). Here, highly efficient and long‐term stable inverted OSCs are fabricated by combining controllable ZnMgO (ZMO) cathode interfacial materials with a polymer:fullerene bulk‐heterojunction. The resulting devices based on the nanocolloid/nanoridge ZMO electron‐transporting layers (ETLs) show greatly enhanced performance compared to that of the conventional devices or control devices without ZMO or with ZnO ETLs. The ZMO‐based OSCs maintain 84%–93% of their original PCEs over 1‐year storage under ambient conditions. An initial PCE of 9.39% is achieved for the best device, and it still retains a high PCE of 8.06% after 1‐year storage, which represents a record high value for long‐term stable OSCs. The excellent performance is attributed to the enhanced electron transportation/collection, reduced interfacial energy losses, and improved stability of the nanocolloid ZMO ETL. These findings provide a promising way to develop OSCs with high efficiencies and long device lifetime towards practical applications.
What did Hadropithecus eat, and why should paleoanthropologists care?
Authors: Godfrey Laurie R. , Crowley Brooke E. , Muldoon Kathleen M. , Kelley Elizabeth A. , King Stephen J. , Best Andrew W. , Berthaume Michael A.
Published: November 2015

Over 40 years ago, Clifford Jolly noted different ways in which Hadropithecus stenognathus converged in its craniodental anatomy with basal hominins and with geladas. The Malagasy subfossil lemur Hadropithecus departs from its sister taxon, Archaeolemur, in that it displays comparatively large molars, reduced incisors and canines, a shortened rostrum, and thickened mandibular corpus. Its molars, however, look nothing like those of basal hominins; rather, they much more closely resemble molars of grazers such as Theropithecus. A number of tools have been used to interpret these traits, including dental microwear and texture analysis, molar internal and external morphology, and finite element analysis of crania. These tools, however, have failed to provide support for a simple dietary interpretation; whereas there is some consistency in the inferences they support, dietary inferences (e.g., that it was graminivorous, or that it specialized on hard objects) have been downright contradictory. Cranial shape may correlate poorly with diet. But a fundamental question remains unresolved: why do the various cranial and dental convergences exemplified by Hadropithecus, basal hominins, and Theropithecus exist? In this paper we review prior hypotheses regarding the diet of Hadropithecus. We then use stable carbon and nitrogen isotope data to elucidate this species' diet, summarizing earlier stable isotope analyses and presenting new data for lemurs from the central highlands of Madagascar, where Hadropithecus exhibits an isotopic signature strikingly different from that seen in other parts of the island. We offer a dietary explanation for these differences. Hadropithecus likely specialized neither on grasses nor hard objects; its staples were probably the succulent leaves of CAM plants. Nevertheless, aspects of prior hypotheses regarding the ecological significance of its morphology can be supported. Am. J. Primatol. 78:1098–1112, 2016. © 2015 Wiley Periodicals, Inc.
Templated Atom‐Precise Galvanic Synthesis and Structure Elucidation of a [Ag24Au(SR)18]− Nanocluster
Authors: Bootharaju Megalamane S. , Joshi Chakra P. , Parida Manas R. , Mohammed Omar F. , Bakr Osman M.
Published: November 2015

Synthesis of atom‐precise alloy nanoclusters with uniform composition is challenging when the alloying atoms are similar in size (for example, Ag and Au). A galvanic exchange strategy has been devised to produce a compositionally uniform [Ag24Au(SR)18]− cluster (SR: thiolate) using a pure [Ag25(SR)18]− cluster as a template. Conversely, the direct synthesis of Ag24Au cluster leads to a mixture of [Ag25−xAux(SR)18]−, x=1–8. Mass spectrometry and crystallography of [Ag24Au(SR)18]− reveal the presence of the Au heteroatom at the Ag25 center, forming Ag24Au. The successful exchange of the central Ag of Ag25 with Au causes perturbations in the Ag25 crystal structure, which are reflected in the absorption, luminescence, and ambient stability of the particle. These properties are compared with those of Ag25 and Ag24Pd clusters with same ligand and structural framework, providing new insights into the modulation of cluster properties with dopants at the single‐atom level.
Anion Recognition in Water: Recent Advances from a Supramolecular and Macromolecular Perspective
Authors: Langton Matthew J. , Serpell Christopher J. , Beer Paul D.
Published: November 2015

The recognition of anions in water remains a key challenge in modern supramolecular chemistry, and is essential if proposed applications in biological, medical, and environmental arenas that typically require aqueous conditions are to be achieved. However, synthetic anion receptors that operate in water have, in general, been the exception rather than the norm to date. Nevertheless, a significant step change towards routinely conducting anion recognition in water has been achieved in the past few years, and this Review highlights these approaches, with particular focus on controlling and using the hydrophobic effect, as well as more exotic interactions such as C−H hydrogen bonding and halogen bonding. We also look beyond the field of small‐molecule recognition into the macromolecular domain, covering recent advances in anion recognition based on biomolecules, polymers, and nanoparticles.
Poly(N‐isopropylacrylamide) Phase Diagrams: Fifty Years of Research
Authors: Halperin Avraham , Kröger Martin , Winnik Françoise M.
Published: November 2015

In 1968, Heskins and Guillet published the first systematic study of the phase diagram of poly(N‐isopropylacrylamide) (PNIPAM), at the time a “young polymer” first synthesized in 1956. Since then, PNIPAM became the leading member of the growing families of thermoresponsive polymers and of stimuli‐responsive, “smart” polymers in general. Its thermal response is unanimously attributed to its phase behavior. Yet, in spite of 50 years of research, a coherent quantitative picture remains elusive. In this Review we survey the reported phase diagrams, discuss the differences and comment on theoretical ideas regarding their possible origins. We aim to alert the PNIPAM community to open questions in this reputably mature domain.
Crystallization kinetics and morphology of poly(ethylene suberate)
Authors: Qiu Shoutian , Qiu Zhaobin
Published: November 2015

The crystallization kinetics and morphology of poly(ethylene suberate) (PESub) were studied in detail with differential scanning calorimetry, polarized optical microscopy, and wide‐angle X‐ray diffraction. The Avrami equation could describe the overall isothermal melt crystallization kinetics of PESub at different crystallization temperatures; moreover, the overall crystallization rate of PESub decreased with increasing crystallization temperature. The equilibrium melting point of PESub was determined to be 70.8°C. Ring‐banded spherulites and a crystallization regime II to III transition were found for PESub. The Tobin equation could describe the nonisothermal melt crystallization kinetics of PESub at different cooling rates, while the Ozawa equation failed. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43086.
Fabrication of a tunable hydrogel membrane for constructing indirect cell coculture system
Authors: Song Yizhe , Zheng Guoshuang , Zhang Demeng , Lv Yan , Li Na , Wang Xiuli , Yu Weiting , Ma Xiaojun
Published: November 2015

In this study, an improved indirect cell coculture system was constructed by using a polyelectrolyte complex membrane generated by alginate (A) and chitosan (C). Methodologies of characterizing thickness and permeability of flat AC membrane were first established due to the importance of these two parameters in determining intercellular distance and degree of contact between cocultured cells. Compared to reaction time, both alginate concentration and molecular weight (Mw) of chitosan play more dominant roles in determining the membrane thickness and diffusion coefficients. Moreover, cells in the alginate gel and on the AC membrane could maintain high cell viability. Thus, an improved indirect cell coculture system constructed by flat AC membrane was fabricated and characterized, which provides a robust tool to study the effect of intercellular distance and degree of contact between cocultured cells on cell–cell interactions. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43100.
Existence and Verification for Decentralized Nondeterministic Discrete‐Event Systems Under Bisimulation Equivalence
Authors: Liu Fuchun , Zhao Rui , Tan Taizhe , Zhang Qiansheng
Published: November 2015

In this paper, we study the decentralized control problem for nondeterministic discrete‐event systems (DESs) under bisimulation equivalence. In order to exactly achieve the desired specification in the sense of bisimulation equivalence, we present a synchronous composition for the supervised system based on the simulation relation between the specification and the plant. After introducing the notions of simulation‐based controllability and simulation‐based coobservability, we present the necessary and sufficient condition for the existence of a decentralized supervisor such that the controlled system is bisimilar to the specification, and an algorithm for verifying the simulation‐based coobservability is proposed by constructing a computational tree.
The developmental trajectory of contrast sensitivity in autism spectrum disorder
Authors: Guy Jacalyn , Mottron Laurent , Berthiaume Claude , Bertone Armando
Published: November 2015

Autism Spectrum Disorder (ASD) is characterized by a detail‐driven visual processing strategy, evidence for which has been based largely on cross‐sectional studies in small participant groups of limited age ranges. It is therefore unknown when sensitivity to detailed information emerges and develops in ASD. Contrast sensitivity to sinusoidal gratings of different spatial frequencies (0.5, 1, 2, 4, and 8 cycles per degree (cpd)) was measured for 34 participants with ASD and 55 typically developing participants (aged 6–16 years). Cross‐sectional, developmental trajectories were constructed to examine within and between group differences across the range of spatial frequencies tested. Developmental trajectories indicated that sensitivity across low (i.e., 0.5 and 1 cpd) and mid (2 and 4 cpd) spatial frequencies varied by chronological age within each group, with mid frequencies developing at a more significant rate than low frequencies. There was no overall difference between groups in terms of the relationship of sensitivity and age across spatial frequencies, yet the ASD group had an overall lower level of sensitivity. Closer examination revealed that the youngest participants with ASD had a reduced sensitivity for mid frequencies. Moreover, the ASD group showed a statistically significant developmental relationship at 8 cpd, which suggests that a trend for increased sensitivity to early detailed information may manifest beyond the ages tested. These findings demonstrate a differential development of contrast sensitivity for spatial frequencies in ASD and underscore the need to better identify what drives such differences in the “building blocks” of visual perception. Autism Res 2016, 9: 866–878. © 2015 International Society for Autism Research, Wiley Periodicals, Inc.
Semantic mapping reveals distinct patterns in descriptions of social relations in adults with autism spectrum disorder
Authors: Luo Sean X. , Shinall Jacqueline A. , Peterson Bradley S. , Gerber Andrew J.
Published: November 2015

Adults with autism spectrum disorder (ASD) may describe other individuals differently compared with typical adults. In this study, we first asked participants to describe closely related individuals such as parents and close friends with 10 positive and 10 negative characteristics. We then used standard natural language processing methods to digitize and visualize these descriptions. The complex patterns of these descriptive sentences exhibited a difference in semantic space between individuals with ASD and control participants. Machine learning algorithms were able to automatically detect and discriminate between these two groups. Furthermore, we showed that these descriptive sentences from adults with ASD exhibited fewer connections as defined by word–word co‐occurrences in descriptions, and these connections in words formed a less “small‐world” like network. Autism Res 2016, 9: 846–853. © 2015 International Society for Autism Research, Wiley Periodicals, Inc.
Intron retention in mRNA: No longer nonsense
Authors: Wong Justin J.‐L. , Au Amy Y. M. , Ritchie William , Rasko John E. J.
Published: November 2015

Until recently, retention of introns in mature mRNAs has been regarded as a consequence of mis‐splicing. Intron‐retaining transcripts are thought to be non‐functional because they are readily degraded by nonsense‐mediated decay. However, recent advances in next‐generation sequencing technologies have enabled the detection of numerous transcripts that retain introns. As we review herein, intron‐retaining mRNAs play an essential conserved role in normal physiology and an emergent role in diverse diseases. Intron retention should no longer be overlooked as a key mechanism that independently reduces gene expression in normal biology. Exploring its contribution to the development and/or maintenance of diseases is of increasing importance.
Synthesis of Sb2Te3 Hierarchical Nanostructures by Divalent Germanium Ion‐assisted Solution Method
Authors: Gupta Gajendra , Kim Myeong Ho , Zhou Hu , Lee Chang Yeon , Kim Jinkwon
Published: November 2015

A simple and convenient divalent germanium ion‐assisted low temperature (100 °C) liquid phase synthesis of Sb2Te3
flowerlike nanostructures with diameters of 300–500 nm by controlled agglomeration is described. Transmission electron microscopy (TEM) images showed that the flakes were formed by two‐dimensional aggregation of nanocrystals smaller than 10 nm. Subsequent experiments performed without the use of germanium source gave only platelike architectures of irregular size and shape. The morphology and composition of these synthesized Sb2Te3
nanoflowers were characterized by powder X‐ray diffraction, scanning electron microscope, TEM, high‐resolution transmission electron microscopy, differential scanning calorimetry, energy‐dispersive X‐ray spectroscopy, and X‐ray photoelectron spectra. The atomic ratio of Sb to Te is very close to 2:3 stoichiometry. A possible mechanism is also proposed for the formation of these hierarchical nanostructures.
Investigation of Microscopic Hydration of Protonated Cytosine by Density Functional Theory Calculations
Authors: Han Sang Yun
Published: November 2015

Depending on the protonation site, protonated cytosine, i.e., CH+, is known to gain different degrees of stabilization from hydration. To deepen our understanding of the solvation of protonated cytosine at the molecular level, hydrated clusters of protonated cytosine, CH+(H2O)n = 1–6, as a microscopic hydration model, were investigated. Using the hydrated clusters, the stepwise solvation of protonated cytosine molecules protonated at two different sites, N3 and O2, was studied using density functional theory (DFT) calculations (B3LYP/6‐311+G(d,p)). N3‐protonated cytosine, CNH+, was found to have a stronger interaction with water than O2‐protonated cytosine, COH+, by 1 kcal/mol per water solvent. For CNH+, the hydration of four water molecules by hydrogen bonding was shown to account for approximately 75% of the bulk solvation energy, and further hydration with six waters accounts for the majority of the bulk stabilization. However, unlike the case of CNH+, the binding of water to the pyrimidine ring side of COH+ was observed to be fairly repulsive. In addition, the initial stepwise hydration energies for COH+, which were mostly governed by hydrogen bonding, were weaker than those predicted for CNH+. These results suggest that the higher charge density carried by CNH
+ favors both hydrogen bonding and ion–dipole interactions, thus resulting in the greater stabilization of CNH
+ than COH+ in an aqueous environment.
An HPLC‐ECD method for monoamines and metabolites quantification in cuttlefish (cephalopod) brain tissue
Authors: Bidel Flavie , Corvaisier Sophie , Jozet‐Alves Christelle , Pottier Ivannah , Dauphin François , Naud Nadège , Bellanger Cécile
Published: November 2015

The cuttlefish belongs to the mollusk class Cephalopoda, considered as the most advanced marine invertebrates and thus widely used as models to study the biology of complex behaviors and cognition, as well as their related neurochemical mechanisms. Surprisingly, methods to quantify the biogenic monoamines and their metabolites in cuttlefish brain remain sparse and measure a limited number of analytes. This work aims to validate an HPLC‐ECD method for the simultaneous quantification of dopamine, serotonin, norepinephrine and their main metabolites in cuttlefish brain. In comparison and in order to develop a method suitable to answer both ecological and biomedical questions, the validation was also carried out on a phylogenetically remote species: mouse (mammals). The method was shown to be accurate, precise, selective, repeatable and sensitive over a wide range of concentrations for 5‐hydroxyindole‐3‐acetic acid, serotonin, dopamine, 3,4‐dihydroxyphenylacetic acid and norepinephrine in the both extracts of cuttlefish and mouse brain, though with low precision and recovery for 4‐hydroxy‐3‐methoxyphenylethylene glycol. Homovanillic acid, accurately studied in rodents, was not detectable in the brain of cuttlefish. Overall, we described here the first fully validated HPLC method for the routine measurement of both monoamines and metabolites in cuttlefish brain. Copyright © 2016 John Wiley & Sons, Ltd.
Predictive compression of animated 3D models by optimized weighted blending of key‐frames
Authors: Hajizadeh Mohammadali , Ebrahimnezhad Hossein
Published: November 2015

Efficient compression techniques are required for animated mesh sequences with fixed connectivity and time‐varying geometry. In this paper, we propose a key‐frame‐based technique for three‐dimensional dynamic mesh compression. First, key‐frames are extracted from the animated sequence. Extracted key‐frames are then linearly combined using blending weights to predict the vertex locations of the other frames. These blending weights play a key role in the proposed algorithm because the prediction performance and the required number of key‐frames greatly depend on these weights. We present a novel method in order to compute the optimum blending weight that makes it possible to predict location of the vertices of the non‐key frames with the minimum number of key‐frames. The residual prediction errors are finally quantized and encoded using Huffman coding and another heuristic method. Experimental results on different test sequences with various sizes, topologies, and geometries demonstrate the privileged performance of the proposed method compared with the previous techniques. Copyright © 2015 John Wiley & Sons, Ltd.
Defining A‐Kinase Anchoring Protein (AKAP) Specificity for the Protein Kinase A Subunit RI (PKA‐RI)
Authors: Autenrieth Karolin , Bendzunas N. George , Bertinetti Daniela , Herberg Friedrich W. , Kennedy Eileen J.
Published: November 2015

A‐Kinase anchoring proteins (AKAPs) act as spatial and temporal regulators of protein kinase A (PKA) by localizing PKA along with multiple proteins into discrete signaling complexes. AKAPs interact with the PKA holoenzyme through an α‐helix that docks into a groove formed on the dimerization/docking domain of PKA‐R in an isoform‐dependent fashion. In an effort to understand isoform selectivity at the molecular level, a library of protein–protein interaction (PPI) disruptors was designed to systematically probe the significance of an aromatic residue on the AKAP docking sequence for RI selectivity. The stapled peptide library was designed based on a high affinity, RI‐selective disruptor of AKAP binding, RI‐STAD‐2. Phe, Trp and Leu were all found to maintain RI selectivity, whereas multiple intermediate‐sized hydrophobic substitutions at this position either resulted in loss of isoform selectivity (Ile) or a reversal of selectivity (Val). As a limited number of RI‐selective sequences are currently known, this study aids in our understanding of isoform selectivity and establishing parameters for discovering additional RI‐selective AKAPs.
Interplay of Exciton Coupling and Large‐Amplitude Motions in the Vibrational Circular Dichroism Spectrum of Dehydroquinidine
Authors: Nicu Valentin P. , Domingos Sérgio R. , Strudwick Benjamin H. , Brouwer Albert M. , Buma Wybren J.
Published: November 2015

A detailed analysis of the computed structure, energies, vibrational absorption (VA) and circular dichroism (VCD) spectra of 30 low‐energy conformers of dehydroquinidine reveals the existence of families of pseudo‐conformers, the structures of which differ mostly in the orientation of a single OH bond. The pseudo‐conformers in a family are separated by very small energy barriers (i.e., 1.0 kcal mol−1 or smaller) and have very different VCD spectra. First, we demonstrate the unreliable character of the Boltzmann factors predicted with DFT. Then, we show that the large differences observed between the VCD spectra of the pseudo‐conformers in a family are caused by large‐amplitude motions involving the OH bond, which trigger the appearance/disappearance of strong VCD exciton‐coupling bands in the fingerprint region. This interplay between exciton coupling and large‐amplitude‐motion phenomena demonstrates that when dealing with flexible molecules with polar bonds, vibrational averaging of VCD spectra should not be neglected. In this regard, the dehydroquinidine molecule considered here is expected to be a typical example and not the exception to the rule.
Development of Hybrid BiOClxBr1−x‐Embedded Alumina Films and Their Application as Highly Efficient Visible‐Light‐Driven Photocatalytic Reactors
Authors: Gnayem Hani , Dandapat Anirban , Sasson Yoel
Published: November 2015

A highly stable 75 wt % BiOClxBr1−x‐loaded alumina composite film has been developed for the fabrication of glass‐based photoreactors. A very simple approach has been adopted that does not involve the use of a special instrument and can be applied to all types of substrates irrespective to their size and shape. The structure and morphology of the films were well characterized by XRD, SEM, TEM, N2‐sorption, IR, Raman, and UV/Vis diffuse reflectance spectroscopy. BiOClxBr1−x microspheres (1–3 μm) with closely packed thin nanoplates (width ≈10 nm) were integrated within alumina to develop a hybrid film. The photocatalytic capacity of the films was evaluated for the decomposition of Rhodamine B (RhB) and naphthalene under visible‐light irradiation. The composite films showed a remarkable photocatalytic activity and stability and have been reused for several cycles without any deterioration of their original activity.
Preparation and Isolation of a Chiral Methandiide and Its Application as Cooperative Ligand in Bond Activation
Authors: Feichtner Kai‐Stephan , Englert Simon , Gessner Viktoria H.
Published: November 2015

The activation of element–hydrogen bonds by means of metal–ligand cooperation has received increasing attention as alternative to classical activation processes, which exclusively occur at the metal center. Carbene complexes derived from methandiide precursors have been applied in this chemistry enabling the activation of a series of EH bonds by addition reactions across the MC bond. However, no chiral carbene complexes have been applied to realize stereoselective transformations to date. Herein, we report the isolation and structure elucidation of an enantiomerically pure dilithiomethane, which could be prepared by direct double deprotonation. The obtained dilithium salt was used for the preparation of the first chiral methandiide‐derived carbene complex, which was applied in stereoselective cooperative SH bond activation.
Recent Applications of Organic Solvent Nanofiltration
Authors: Priske Markus , Lazar Marina , Schnitzer Christian , Baumgarten Goetz
Published: November 2015

Compared to other unit operations organic solvent nanofiltration is still regarded as a new one with its first commercial successes in the early 1990s. Since then a number of new applications and processes were developed that prove the potential of organic solvent nanofiltration as a resource‐efficient cold separation technology and enabler of new processes and even new products. Applications of organic solvent nanofiltration are found in the oil‐ and petrochemical industry, in the food and bioproduct industry, in the bulk chemistry as well as in the fine chemistry and pharmaceutical industry. Aim of this work is to give an overview of recent applications of organic solvent nanofiltration and highlight emerging trends.
Eco‐friendly Energy Storage System: Seawater and Ionic Liquid Electrolyte
Authors: Kim Jae‐Kwang , Mueller Franziska , Kim Hyojin , Jeong Sangsik , Park Jeong‐Sun , Passerini Stefano , Kim Youngsik
Published: November 2015

As existing battery technologies struggle to meet the requirements for widespread use in the field of large‐scale energy storage, novel concepts are urgently needed concerning batteries that have high energy densities, low costs, and high levels of safety. Here, a novel eco‐friendly energy storage system (ESS) using seawater and an ionic liquid is proposed for the first time; this represents an intermediate system between a battery and a fuel cell, and is accordingly referred to as a hybrid rechargeable cell. Compared to conventional organic electrolytes, the ionic liquid electrolyte significantly enhances the cycle performance of the seawater hybrid rechargeable system, acting as a very stable interface layer between the Sn‐C (Na storage) anode and the NASICON (Na3Zr2Si2PO12) ceramic solid electrolyte, making this system extremely promising for cost‐efficient and environmentally friendly large‐scale energy storage.
Remarkable Influence of Phenyl/Arylethynylation on the Photo­chromism of 2,2‐Diphenylbenzo­pyrans (Chromenes)
Authors: Mukhopadhyay Arindam , Maka Vijay Kumar , Moorthy Jarugu Narasimha
Published: November 2015

Phenyl/arylethynylation of 2,2‐diphenylbenzopyrans (i.e., chromenes) permits modulation of the spectral properties of photogenerated colored o‐quinonoid intermediates, and brings about remarkable stabilization of the latter, rendering the phenomenon of photochromism observable readily at room temperature. Modification of the spectrokinetic properties of the o‐quinonoid intermediates are a consequence of resonance effects, with the substituent effects being relayed nicely from one end of the molecule to the other. Functionalization at the 6‐position of the chromene nucleus leads to more redshifted absorptions as well as to increased lifetimes of the colored species when compared with functionalization at the 7‐position. Given that photochromism is observable in the parent chromene at only low temperatures, phenyl/arylethynylation, which precludes steric inhibition of resonance, is demonstrated to render bleaching kinetics of the colored intermediates that approach those reported for industrially relevant diarylnaphthopyrans.
Synthesis, Structure, Spectral and Electrochemical Properties of [20]Dioxahomoporphyrins and ­Covalently Linked Dioxahomoporphyrin–Porphyrin Dyads
Authors: Ganapathi Emandi , Kuilya Subrata , Chatterjee Tamal , Ravikanth Mangalampalli
Published: November 2015

A series of new [20]dioxahomoporphyrins have been synthesized by [2+2] condensation of (but‐2‐ene‐2,3‐diyldifuran‐2,5‐diyl)bis(p‐methoxyphenylmethanol) with appropriate meso‐aryldipyrromethanes under mild acid‐catalyzed conditions. The X‐ray structure determined for one of the dioxahomoporphyrins revealed that the macrocycle is significantly distorted and the two furan rings are completely out‐of‐plane from the mean plane. The [20]dioxahomoporphyrin macrocycles are stable and non‐aromatic, and have been characterized in detail by HRMS, 1D and 2D NMR spectroscopy, UV/Vis spectrophotometry and electrochemical techniques. The iodo‐functionalized [20]dioxahomoporphyrin was used to synthesize a covalently linked diphenylethyne‐bridged [20]dioxahomoporphyrin–porphyrin dyad by coupling with an ethynyl‐functionalized porphyrin under mild copper‐free Pd0 catalytic conditions. The metallation of the porphyrin macrocycle of the [20]dioxahomoporphyrin–porphyrin dyad was carried out by treating the dyad with the appropriate metal salt under standard conditions and the resulting [20]dioxahomoporphyrin–metalloporphyrin dyads were characterized by various spectral and electrochemical techniques. The results of the studies indicated that in the dyads the dioxahomoporphyrin and porphyrin/metalloporphyrin units interact weakly and retain their individual features.
Energy conversion in an internally illuminated annular‐plate airlift photobioreactor
Authors: Jeffryes Clayton , Severi Veronica , Delhaye Antoine , Urbain Brieuc , Grama Borhane Samir , Agathos Spiros N.
Published: November 2015

Algal‐derived therapeutics, bioactive molecules, and fuels produced in photobioreactors (PBRs) are of great scientific and economic interest, but the high cost of production still prevents their widespread use. Specifically, the cost of the energy inputs and the control of the photonic inputs that enable production optimization continue to be problematic. To this end, a novel 55‐L annular‐plate airlift PBR (APAPBR) with internal illumination was designed and characterized for the batch production of algal biomass. The APAPBR was able to convert mixing and photonic energy inputs into Chlorella pituita SG1 biomass at an efficiency of 0.064 (J biomass [J input]−1), or 0.27 g dry cell weight (DW) W−1 d−1. Thanks to a high degree of photon capture and the airlift effect that provided energy‐efficient mixing and mass transfer, this energy conversion is 54% of the theoretical maximum as determined in previous studies. Under these efficiency conditions, C. pituita SG1 was able to grow photoautotrophically to 3.9 ± 0.2 gDW L−1. Additionally, a mathematical approach was used to predict the mean light intensity with the highest biomass yield per unit of photonic input and the maximum biomass concentration achievable under the given process conditions. These predictions were validated in our system by the experimental cultivation data. This APAPBR represents a simple, innovative, and energy‐efficient PBR configuration that could decrease the cost of phototrophic bioprocesses and enable novel bioprocesses that require a high degree of control over the photonic input.
Energy Storage and Transportation Based on Solar Irradiation‐Aided CaO‐Looping
Authors: Obermeier Jonas , Müller Benjamin , Müller Karsten , Arlt Wolfgang
Published: November 2015

For the utilization of surplus solar energy from desert regions in central Europe, a concept for trans‐regional energy storage and transportation based on the reversible chemical reaction of CaO/CaCO3has been proposed previously. In this context it is necessary to consider potential side reactions and the influences of heat recovery and conversion on efficiency of the thermochemical storage. To realize a zero emission energy distribution cycle, different CO2‐recycling strategies are evaluated. The synthetic natural gas (SNG) synthesis is identified as the most suitable technology and a combined CaO/CaCO3–SNG cycle is developed. Based on process simulation, an overall solar‐to‐electricity efficiency of 9.8 % and an exergetic efficiency of 10.5 % are obtained. The solar hydrogen generation is identified as the most critical step for the overall efficiency. The suggested concept can be competitive to trans‐regional solar energy distribution proposals with parabolic trough power plants and high‐voltage direct‐current (HVDC) lines.