bluuebunny/crossref_metadata_2025_split huggingface dataset:
High‐Performance and Uniform 1 cm2 Polymer Solar Cells with D1‐A‐D2‐A‐Type Random Terpolymers
Authors: Shin Injeong , Ahn Hyung ju , Yun Jae Hoon , Jo Jea Woong , Park Sungmin , Joe Sung‐yoon , Bang Joona , Son Hae Jung 
Published: November 2017

AbstractFor the commercial development of organic photovoltaics (OPVs), laboratory‐scale OPV technology must be translated to large area modules. In particular, it is important to develop high‐efficiency polymers that can form thick (>100 nm) bulk heterojunction (BHJ) films over large areas with optimal morphologies for charge generation and transport. Here, D1‐A‐D2‐A random terpolymers composed of 2,2′‐bithiophene with various proportions of 5,6‐difluoro‐4,7‐bis(thiophen‐2‐yl)‐2,1,3‐benzothiadiazole and 5,6‐difluoro‐2,1,3‐benzothiadiazole (FBT) are synthesized. It is found that incorporating small proportions of FBT into the polymer not only conserves the high crystallinity and favorable face‐on orientation of the D‐A copolymer FBT‐Th4 but also improves the nanoscale phase separation of the BHJ film. Consequently, the random terpolymer PDT2fBT‐BT10 exhibits a much improved solar cell efficiency of 10.31% when compared to that of the copolymer FBT‐Th4 (8.62%). Moreover, due to this polymer's excellent processability and suppressed overaggregation, OPVs with 1 cm2 active area based on 351 nm thick PDT2fBT‐BT10 BHJs exhibit high photovoltaic performance of 9.42%, whereas rapid efficiency decreases arise for FBT‐Th4‐based OPVs for film thicknesses above 300 nm. It is demonstrated that this random terpolymer can be used in large area and thick BHJ OPVs, and guidelines for developing polymers that are suitable for large‐scale printing technologies are presented.
Amorphous Tin‐Based Composite Oxide: A High‐Rate and Ultralong‐Life Sodium‐Ion‐Storage Material
Authors: Yang Xu , Zhang Rong‐Yu , Zhao Jing , Wei Zhi‐Xuan , Wang Dong‐Xue , Bie Xiao‐Fei , Gao Yu , Wang Jia , Du Fei , Chen Gang 
Published: November 2017

AbstractEnergy‐storage technology is moving beyond lithium batteries to sodium as a result of its high abundance and low cost. However, this sensible transition requires the discovery of high‐rate and long‐lifespan anode materials, which remains a significant challenge. Here, the facile synthesis of an amorphous Sn2P2O7/reduced graphene oxide nanocomposite and its sodium storage performance between 0.01 and 3.0 V are reported for the first time. This hybrid electrode delivers a high specific capacity of 480 mA h g−1 at a current density of 50 mA g−1 and superior rate performance of 250 and 165 mA h g−1 at 2 and 10 A g−1, respectively. Strikingly, this anode can sustain 15 000 cycles while retaining over 70% of the initial capacity. Quantitative kinetic analysis reveals that the sodium storage is governed by pseudocapacitance, particularly at high current rates. A full cell with sodium super ionic conductor (NASICON)‐structured Na3V2(PO4)2F3 and Na3V2(PO4)3 as cathodes exhibits a high energy density of over 140 W h kg−1 and a power density of nearly 9000 W kg−1 as well as stability over 1000 cycles. This exceptional performance suggests that the present system is a promising power source for promoting the substantial use of low‐cost energy storage systems.
Selenium Impregnated Monolithic Carbons as Free‐Standing Cathodes for High Volumetric Energy Lithium and Sodium Metal Batteries
Authors: Ding Jia , Zhou Hui , Zhang Hanlei , Tong Linyue , Mitlin David 
Published: November 2017

AbstractEnergy density (energy per volume) is a key consideration for portable, automotive, and stationary battery applications. Selenium (Se) lithium and sodium metal cathodes are created that are monolithic and free‐standing, and with record Se loading of 70 wt%. The carbon host is derived from nanocellulose, an abundant and sustainable forestry product. The composite is extremely dense (2.37 g cm−3), enabling theoretical volumetric capacity of 1120 mA h cm−3. Such architecture is fully distinct from previous Se–carbon nano‐ or micropowders, intrinsically offering up to 2× higher energy density. For Li storage, the cathode delivers reversible capacity of 1028 mA h cm−3 (620 mA h g−1) and 82% retention over 300 cycles. For Na storage, 848 mA h cm−3 (511 mA h g−1) is obtained with 98% retention after 150 cycles. The electrodes yield superb volumetric energy densities, being 1727 W h L−1 for Li–Se and 980 W h L−1 for Na–Se normalized by total composite mass and volume. Despite the low surface area, over 60% capacity is maintained as the current density is increased from 0.1 to 2 C (30 min charge) with Li or Na. Remarkably, the electrochemical kinetics with Li and Na are comparable, including the transition from interfacial to diffusional control.
Hierarchical Zn–Co–S Nanowires as Advanced Electrodes for All Solid State Asymmetric Supercapacitors
Authors: Li Chao , Balamurugan Jayaraman , Kim Nam Hoon , Lee Joong Hee 
Published: November 2017

AbstractA facile two‐step strategy is developed to design the large‐scale synthesis of hierarchical, unique porous architecture of ternary metal hydroxide nanowires grown on porous 3D Ni foam and subsequent effective sulfurization. The hierarchical Zn–Co–S nanowires (NWs) arrays are directly employed as an electrode for supercapacitors application. The as‐synthesized Zn–Co–S NWs deliver an ultrahigh areal capacity of 0.9 mA h cm−2 (specific capacity of 366.7 mA h g−1) at a current density of 3 mA cm−2, with an exceptional rate capability (≈227.6 mA h g−1 at a very high current density of 40 mA cm−2) and outstanding cycling stability (≈93.2% of capacity retention after 10 000 cycles). Most significantly, the assembled Zn–Co–S NWs//Fe2O3@reduced graphene oxide asymmetric supercapacitors with a wide operating potential window of ≈1.6 V yield an ultrahigh volumetric capacity of ≈1.98 mA h cm−3 at a current density of 3 mA cm−2, excellent energy density of ≈81.6 W h kg−1 at a power density of ≈559.2 W kg−1, and exceptional cycling performance (≈92.1% of capacity retention after 10 000 cycles). This general strategy provides an alternative to design the other ternary metal sulfides, making it facile, free‐standing, binder‐free, and cost‐effective ternary metal sulfide‐based electrodes for large‐scale applications in modern electronics.
An empirical analysis of U.K. milk contract prices 2004–2016
Authors: Costa‐Font Montserrat , Revoredo‐Giha Cesar 
Published: November 2017

AbstractMilk quotas were introduced in 1984 to the EU dairy market to control the structural surpluses resulting from imbalances between supply and demand for milk encouraged by subsidies to the sector. These quotas were abolished on the 31st of March 2015, leaving the sector to operate closer to free market conditions. Milk in the United Kingdom is marketed through contracts and the purpose of this paper is to analyze, using time series methods, to what extent market factors are driving the observed evolution of U.K. contract prices. The five groups of contracts considered are: retailers’ aligned contracts, standard liquid contracts, A&B contracts, cheese manufacturing contracts, and other manufacturing contracts. Results indicate that, although market factors play a role in influencing all contract prices, their effect is different by type of contract, and quota abolition does not have a significant effect on the time series behavior of contract prices. [EconLit citations: M31; L11].
Der Immuncheckpoint PD‐1/PD‐L1: Gibt es Therapieoptionen jenseits der Antikörper?
Authors: Konstantinidou Markella , Zarganes‐Tzitzikas Tryfon , Magiera‐Mularz Katarzyna , Holak Tad A. , Dömling Alexander 
Published: November 2017

AbstractDie PD‐1/PD‐L1‐Wechselwirkung hat sich als ein wichtiger Angriffspunkt für die Krebs‐Immuntherapie erwiesen. Aktuelle Medikationen unter Einbeziehung monoklonaler Antikörper zeigen eindrucksvolle klinische Wirkungen beim Einsatz gegen verschiedene Tumortypen. Von der Cokristallstruktur von humanem PD‐1 mit PD‐L1 erwartet man – zusammen mit den aktuellen Kristallstrukturen mit monoklonalen Antikörpern, niedermolekularen Substanzen und Makrocyclen – einen wertvollen Ausgangspunkt für den Entwurf neuer Inhibitoren.
Asymmetric Synthesis of 2H‐Azirines with a Tetrasubstituted Stereocenter by Enantioselective Ring Contraction of Isoxazoles
Authors: Okamoto Kazuhiro , Nanya Atsushi , Eguchi Akira , Ohe Kouichi 
Published: November 2017

AbstractHighly strained 2H‐azirines with a tetrasubstituted stereocenter were synthesized by the enantioselective isomerization of isoxazoles with a chiral diene–rhodium catalyst system. The effect of ligands and the coordination behavior support the proposed catalytic cycle in which the coordination site is fixed in favor of efficient enantiodiscrimination by a bulky substituent of the ligand. In silico studies also support the existence of a rhodium–imido complex as a key intermediate for enantiodiscrimination.
A Chiral Halogen‐Bonding [3]Rotaxane for the Recognition and Sensing of Biologically Relevant Dicarboxylate Anions
Authors: Lim Jason Y. C. , Marques Igor , Félix Vítor , Beer Paul D. 
Published: November 2017

AbstractThe unprecedented application of a chiral halogen‐bonding [3]rotaxane host system for the discrimination of stereo‐ and E/Z geometric isomers of a dicarboxylate anion guest is described. Synthesised by a chloride anion templation strategy, the [3]rotaxane host recognises dicarboxylates through the formation of 1:1 stoichiometric sandwich complexes. This process was analysed by molecular dynamics simulations, which revealed the critical synergy of halogen and hydrogen bonding interactions in anion discrimination. In addition, the centrally located chiral (S)‐BINOL motif of the [3]rotaxane axle component facilitates the complexed dicarboxylate species to be sensed via a fluorescence response.
Two Distinct Substrate Binding Modes for the Normal and Reverse Prenylation of Hapalindoles by the Prenyltransferase AmbP3
Authors: Wong Chin Piow , Awakawa Takayoshi , Nakashima Yu , Mori Takahiro , Zhu Qin , Liu Xinyu , Abe Ikuro 
Published: November 2017

AbstractThe cyanobacterial prenyltransferase AmbP3 catalyzes the reverse prenylation of the tetracyclic indole alkaloid hapalindole U at its C‐2 position. Interestingly, AmbP3 also accepts hapalindole A, a halogenated C‐10 epimer of hapalindole U, and catalyzes normal prenylation at its C‐2 position. The comparison of the two ternary crystal structures, AmbP3‐DMSPP/hapalindole U and AmbP3‐DMSPP/hapalindole A, at 1.65–2.00 Å resolution revealed two distinct orientations for the substrate binding that define reverse or normal prenylation. The tolerance of the enzyme for these altered orientations is attributed to the hydrophobicity of the substrate binding pocket and the plasticity of the amino acids surrounding the allyl group of the prenyl donor. This is the first study to provide the intimate structural basis for the normal and reverse prenylations catalyzed by a single enzyme, and it offers novel insight into the engineered biosynthesis of prenylated natural products.
Purely Physisorption‐Based CO‐Selective Gate‐Opening in Microporous Organically Pillared Layered Silicates
Authors: Herling Markus M. , Rieß Martin , Sato Hiroshi , Li Liangchun , Martin Thomas , Kalo Hussein , Matsuda Ryotaro , Kitagawa Susumu , Breu Josef 
Published: November 2017

AbstractSeparation of gas molecules with similar physical and chemical properties is challenging but nevertheless highly relevant for chemical processing. By introducing the elliptically shaped molecule, 1,4‐dimethyl‐1,4‐diazabicyclo[2.2.2]octane, into the interlayer space of a layered silicate, a two‐dimensional microporous network with narrow pore size distribution is generated (MOPS‐5). The regular arrangement of the pillar molecules in MOPS‐5 was confirmed by the occurrence of a 10 band related to a long‐range pseudo‐hexagonal superstructure of pillar molecules in the interlayer space. Whereas with MOPS‐5 for CO2 adsorption, gate‐opening occurs at constant volume by freezing pillar rotation, for CO the interlayer space is expanded at gate‐opening and a classical interdigitated layer type of gate‐opening is observed. The selective nature of the gate‐opening might be used for separation of CO and N2 by pressure swing adsorption.
Hierarchical Hollow Nanoprisms Based on Ultrathin Ni‐Fe Layered Double Hydroxide Nanosheets with Enhanced Electrocatalytic Activity towards Oxygen Evolution
Authors: Yu Le , Yang Jing Fan , Guan Bu Yuan , Lu Yan , Lou Xiong Wen (David) 
Published: November 2017

AbstractThe oxygen evolution reaction (OER) is involved in various renewable energy systems, such as water‐splitting cells and metal–air batteries. Ni‐Fe layered double hydroxides (LDHs) have been reported as promising OER electrocatalysts in alkaline electrolytes. The rational design of advanced nanostructures for Ni‐Fe LDHs is highly desirable to optimize their electrocatalytic performance. Herein, we report a facile self‐templated strategy for the synthesis of novel hierarchical hollow nanoprisms composed of ultrathin Ni‐Fe LDH nanosheets. Tetragonal nanoprisms of nickel precursors were first synthesized as the self‐sacrificing template. Afterwards, these Ni precursors were consumed during the hydrolysis of iron(II) sulfate for the simultaneous growth of a layer of Ni‐Fe LDH nanosheets on the surface. The resultant Ni‐Fe LDH hollow prisms with large surface areas manifest high electrocatalytic activity towards the OER with low overpotential, small Tafel slope, and remarkable stability.
Valorization of waste thermoset material as a filler in thermoplastic: Mechanical properties of phenolic molding compound waste‐filled PP composites
Authors: Bernardeau Fabien , Perrin Didier , Caro Anne‐Sophie , Benezet Jean‐Charles , Ienny Patrick 
Published: November 2017

ABSTRACTAs most thermoset material, phenolic molding compound (PMC) wastes are an environmental problem. Very few recycling solutions have been proposed so far for this type of material. A mechanical recycling method to valorize these materials is proposed in this work. It relies on the use of phenolic waste as filler in thermoplastic. Such phenolic filler can increase mechanical properties (tensile, flexural) of the matrix, and be used in substitution of traditional particulate fillers such as calcium carbonate or talc. In this study, several morphological parameters influencing the final mechanical properties of a PMC‐filled polypropylene (PP) micro‐composite are studied, such as filler loading rate, particles size distribution of the filler, and interfacial adhesion between the filler and the matrix. Some structural parameters are also studied and linked with mechanical properties, such as dispersion of the filler and crystallinity of the matrix. Finally, the properties of PMC‐filled PP are compared with CaCO3‐ and talc‐filled PP. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 45849.
Evolution of double crystal melting peak in polypropylene foam assisted by β‐nucleating agent and supercritical CO2
Authors: Yu Kesong , Jiang Hanchuan , Zhou Hongfu , Mi Jianguo , He Yadong , Wang Xiangdong 
Published: November 2017

ABSTRACTPolypropylene (PP) foams with double crystal melting peak structure were prepared using supercritical CO2 as blowing agent. Such structure was induced by the β‐nucleating agent (NA) and dissolved CO2 in a lab‐scale autoclave system. From the dynamic rheological behaviors, one can see that long chain branching polypropylene (LCBPP) possess better melt elasticity than linear polypropylene (LPP). In order to improve the foamability, LPP was blended with LCBPP. The results of differential scanning calorimeter and wide‐angle X‐ray diffraction indicated that NA was helpful for the introduction of β‐crystal in LPP, but not for LCBPP and PP blends. Therefore, the foamability and the content of β‐crystal of various PP foams can be effectively controlled by adjusting the ratio of LPP and LCBPP. Meanwhile, both the cooling rate and the content of NA affected the formation of β‐crystal in various PP samples. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46007.
Electrochromic properties of some bis‐chalcone derivatives‐based nanofibers
Authors: Nohut Maşlakcı Neslihan , Biçer Abdullah , Turgut Cin Günseli , Uygun Öksüz Ayşegül 
Published: November 2017

ABSTRACTTwo bis‐chalcone derivatives, (2E,6E)‐2,6‐bis[(thiophen‐2‐yl)methylene]cyclohexanone (C1) and (2E,6E)‐2,6‐bis[(furan‐2‐yl)methylene]cyclohexanone (C2)‐based electrochromic (EC) nanofibers were produced in the presence of poly(methyl methacrylate) (PMMA) as supporting polymer using the electrospinning technique. The scanning electron microscopy (SEM) and energy dispersive X‐ray spectroscopy were used to examine morphology and chemical compositions of nanofibers before and after stability test. SEM images of the obtained smooth and bead‐free nanofibers before the stability test showed that both bis‐chalcone derivatives were homogeneously dispersed on the surface of the electrospun nanofibers. Nanofibers of bis‐chalcone derivatives were characterized with Fourier‐transform infrared spectroscopy. The electrochemical and EC properties of these bis‐chalcone derivatives were investigated. The C1‐PMMA nanofiber‐based electrochromic device (ECD) showed higher ΔTmax (41.47%) than that of the C2‐PMMA nanofiber‐based ECD (4.67%) during coloration/bleaching at 715 nm. The switching times for coloration and bleaching of C1‐PMMA nanofiber‐based ECD were found to be 4.42 and 1.12 s, respectively, and the coloration efficiency was 136.18 cm2/C. Repeated cyclic voltammograms and 1000 cycles of chronoamperometric measurements of the bis‐chalcone derivatives indicated that ECDs have long‐term redox stability. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46010.
Incorporation of carbon nanofibers into a Matrimid polymer matrix: Effects on the gas permeability and selectivity properties
Authors: Dohade Manisha 
Published: November 2017

ABSTRACTComposite membranes containing carbon nanofibers (CNFs) and Matrimid were prepared by a solution‐casting method. Prepared Matrimid–CNF composite membranes were characterized with X‐ray diffraction, thermogravimetric analysis, differential scanning calorimetry, Fourier transform infrared spectroscopy, scanning electron microscopy, transmission electron microscopy, and mechanical testing techniques. The mechanical properties of the composite membranes increased over that of the pristine polymeric membranes. To develop a broad fundamental understanding of the connection between the composite architecture and gas‐transport properties, both the gas‐permeability and gas‐separation characteristics were evaluated. The gas‐transport properties of the Matrimid–CNF composite membrane was measured with a single gas‐permeation setup (He, H2, N2, CH4 and CO2) at ambient temperature with the variable‐volume method. The incorporation of CNFs (0.5–10 wt %) into the Matrimid matrix resulted in approximately a 22% reduction in the gas permeation of various gases, (H2, He, CO2, N2, and CH4). Moreover, an improvement of 1.5 times in the gas selectivity was observed for CO2/CH4, H2/CH4, He/CH4, and H2/N2 compared to pristine polymeric membrane. Hence, such polymer–CNF composite membranes could be suitable for gas‐separation applications with high purity requirements. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46019.
Toughness of ABS/PBT blends: The relationship between composition, morphology, and fracture behavior
Authors: Tang Lei , Wang Lulin , Chen Pingxu , Fu Jinfeng , Xiao Peng , Ye Nanbiao , Zhang Mingqiu 
Published: November 2017

ABSTRACTA series of acrylonitrile–butadiene–styrene (ABS) copolymer/poly(butylene terephthalate) (PBT)/acrylonitrile‐styrene‐glycidyl methacrylate (ASG) blends with various compositions were prepared and characterized in this study. When the fraction of ABS exceeds a critical value there is a rapid increase in notched impact strength of ABS/PBT blends no matter whether the compatibilizer ASG is present. By combining morphology observation and notched impact results, we found that the ductile‐brittle transition of the blends is closely related to the morphology inversion. The notched impact strength jumps from 15.9 to 33.4 kJ/m2 when phase inversion of ABS occurs at its fraction of 58 wt %. Accordingly, a possible toughening mechanism involved in the blends is proposed on the basis of a careful analysis of fracture energy, crack propagation behavior and fracture surface morphology. It is believed that the continuous ABS phase plays the critical role in toughening ABS/PBT blends. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46051.
Experimental and Theoretical Study of Enhanced Photocatalytic Activity of Mg‐Doped ZnO NPs and ZnO/rGO Nanocomposites
Authors: Yousefi Ramin , Beheshtian Javad , Seyed‐Talebi Seyedeh Mozhgan , Azimi H. R. , Jamali‐Sheini Farid 
Published: November 2017

AbstractA systematic experimental and theoretical study of the origin of the enhanced photocatalytic performance of Mg‐doped ZnO nanoparticles (NPs) and Mg‐doped ZnO/reduced graphene oxide (rGO) nanocomposites has been performed. In addition to Mg, Cd was chosen as a doping material for the bandgap engineering of ZnO NPs, and its effects were compared with that of Mg in the photocatalytic performance of ZnO nanostructures. The experimental results revealed that Mg, as a doping material, recognizably ameliorates the photocatalytic performance of ZnO NPs and ZnO/graphene nanocomposites. Transmission electron microscopy (TEM) images showed that the Mg‐doped and Cd‐doped ZnO NPs had the same size. The optical properties of the samples indicated that Cd narrowed the bandgap, whereas Mg widened the bandgap of the ZnO NPs and the oxygen vacancy concentration was similar for both samples. Based on the experimental results, the narrowing of the bandgap, the particle size, and the oxygen vacancy did not enhance the photocatalytic performance. However, Brunauer–Emmett–Teller (BET) and Barret–Joyner–Halenda (BJH) models showed that Mg caused increased textural properties of the samples, whereas rGO played an opposite role. A theoretical study, conducted by using DFT methods, showed that the improvement in the photocatalytic performance of Mg‐doped ZnO NPs was due to a higher electron transfer from the Mg‐doped ZnO NPs to the dye molecules compared with pristine ZnO and Cd‐doped ZnO NPs. Moreover, according to the experimental results, along with Mg, graphene also played an important role in the photocatalytic performance of ZnO.
Selective detection of α4β1 integrin (VLA‐4)‐expressing cells using peptide‐functionalized nanostructured materials mimicking endothelial surfaces adjacent to inflammatory sites
Authors: De Marco Rossella , Greco Arianna , Calonghi Natalia , Dattoli Samantha D. , Baiula Monica , Spampinato Santi , Picchetti Pierre , De Cola Luisa , Anselmi Michele , Cipriani Francesca , Gentilucci Luca 
Published: November 2017

AbstractPersistent accumulation of immune cells mediated by α4β1 integrin (VLA‐4) is a hallmark of the inflammatory diseases and of chronic inflammation observed in the affected tissues of autoimmune diseases. Aiming at exploring new methods for monitoring the course of the inflammatory processes, we designed the first peptide‐functionalized nanostructured devices capable to mimic the high‐density multivalency binding between the α4β1 integrin‐expressing cells and the ligands overexpressed on the endothelial surfaces, in the proximity of the sites of inflammation. Specifically, we describe the first examples of monolayers constituted by dye‐loaded zeolite L crystals, coated with α4β1 integrin peptide ligands, and we analyze the adhesion of model Jurkat cells in comparison to non‐α4β1 integrin‐expressing cells. In particular, the peptidomimetic diphenylurea‐Leu‐Asp‐Val‐diamine allows significant and selective detection of α4β1 integrin‐expressing Jurkat cells, after very rapid incubation time, supporting the possible implementation in a diagnostic device capable to detect the desired cells from biological fluids, obtainable from patients in a noninvasive way.