bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Postspinel Anode Enabling Sodium‐Ion Ultralong Cycling and Superfast Transport via 1D Channels
Authors: Li Qi , Guo Shaohua , Zhu Kai , Jiang Kezhu , Zhang Xiaoyu , He Ping , Zhou Haoshen 
Published: July 2017

AbstractSodium‐ion batteries are intensively investigated for large‐scale energy storage due to the favorable sodium availability. However, the anode materials have encountered numerous problems, such as insufficient cycling performance, dissatisfactory capacity, and low safety. Here, a novel post‐spinel anode material, i.e., single‐crystalline NaVSnO4, is presented with the confined 1D channels and the shortest diffusion path. This material delivers an ultra long cycling life (84% capacity retention after 10 000 cycles), a high discharging capacity (163 mA h g−1), and a safe average potential of 0.84 V. Results indicate that the post‐spinel structure is well maintained over 10 000 cycles, surprisingly, with 0.9% volume change, the Sn4+/Sn2+ based redox enables two sodium ions for reversible release and uptake, and the diffusion coefficient of sodium ions is characterized by 1.26 × 10−11 cm2 s−1. The findings of this study provide a new insight into design of new frameworks with polyelectronic transfers for full performance electrode materials of sodium‐ion batteries.
Polymer Main‐Chain Substitution Effects on the Efficiency of Nonfullerene BHJ Solar Cells
Authors: Firdaus Yuliar , Maffei Luna Pratali , Cruciani Federico , Müller Michael A. , Liu Shengjian , Lopatin Sergei , Wehbe Nimer , Ndjawa Guy O. Ngongang , Amassian Aram , Laquai Frederic , Beaujuge Pierre M. 
Published: July 2017

Abstract“Nonfullerene” acceptors are proving effective in bulk heterojunction (BHJ) solar cells when paired with selected polymer donors. However, the principles that guide the selection of adequate polymer donors for high‐efficiency BHJ solar cells with nonfullerene acceptors remain a matter of some debate and, while polymer main‐chain substitutions may have a direct influence on the donor–acceptor interplay, those effects should be examined and correlated with BHJ device performance patterns. This report examines a set of wide‐bandgap polymer donor analogues composed of benzo[1,2‐b:4,5‐b′]dithiophene (BDT), and thienyl ([2H]T) or 3,4‐difluorothiophene ([2F]T) motifs, and their BHJ device performance pattern with the nonfullerene acceptor “ITIC”. Studies show that the fluorine‐ and ring‐substituted derivative PBDT(T)[2F]T largely outperforms its other two polymer donor counterparts, reaching power conversion efficiencies as high as 9.8%. Combining several characterization techniques, the gradual device performance improvements observed on swapping PBDT[2H]T for PBDT[2F]T, and then for PBDT(T)[2F]T, are found to result from (i) notably improved charge generation and collection efficiencies (estimated as ≈60%, 80%, and 90%, respectively), and (ii) reduced geminate recombination (being suppressed from ≈30%, 25% to 10%) and bimolecular recombination (inferred from recombination rate constant comparisons). These examinations will have broader implications for further studies on the optimization of BHJ solar cell efficiencies with polymer donors and a wider range of nonfullerene acceptors.
Quantum Zeno Dynamics Through Stochastic Protocols
Authors: Müller Matthias M. , Gherardini Stefano , Caruso Filippo 
Published: July 2017

AbstractQuantum measurements play a crucial role in quantum mechanics since they perturb, unavoidably and irreversibly, the state of the measured quantum system. More extremely, the constant observation of a quantum system can even freeze its dynamics to a subspace, effectively truncating the Hilbert space of the system. It represents the quantum version of the famous flying arrow Zeno paradox, and is called quantum Zeno dynamics. In general, it can be obtained by applying frequent consecutive quantum measurements that are equally spaced in time. Here, we introduce time disorder in the measurement sequence, and analytically investigate how this temporal stochasticity may affect the confinement probability of the system in the subspace. As main result, we then exploit how different dissipative and coherent Zeno protocols can be generalized to this stochastic scenario. Finally, our analytical predictions are numerically tested on a paradigmatic spin chain where we find a trade‐off between a probabilistic scheme with high fidelity (compared to perfect subspace dynamics) and a deterministic one with a slightly lower fidelity, moving further steps towards new schemes of Zeno‐based control for future quantum technologies.
Graphene Nanoribbons for Electronic Devices
Authors: Geng Zhansong , Hähnlein Bernd , Granzner Ralf , Auge Manuel , Lebedev Alexander A. , Davydov Valery Y. , Kittler Mario , Pezoldt Jörg , Schwierz Frank 
Published: July 2017

AbstractGraphene nanoribbons show unique properties and have attracted a lot of attention in the recent past. Intensive theoretical and experimental studies on such nanostructures at both the fundamental and application‐oriented levels have been performed. The present paper discusses the suitability of graphene nanoribbons devices for nanoelectronics and focuses on three specific device types – graphene nanoribbon MOSFETs, side‐gate transistors, and three terminal junctions. It is shown that, on the one hand, experimental devices of each type of the three nanoribbon‐based structures have been reported, that promising performance of these devices has been demonstrated and/or predicted, and that in part they possess functionalities not attainable with conventional semiconductor devices. On the other hand, it is emphasized that – in spite of the remarkable progress achieved during the past 10 years – graphene nanoribbon devices still face a lot of problems and that their prospects for future applications remain unclear.
Modulated Structure Calculated for Superconducting Hydrogen Sulfide
Authors: Majumdar Arnab , Tse John S. , Yao Yansun 
Published: July 2017

AbstractCompression of hydrogen sulfide using first principles metadynamics and molecular dynamics calculations revealed a modulated structure with high proton mobility which exhibits a diffraction pattern matching well with experiment. The structure consists of a sublattice of rectangular meandering SH− chains and molecular‐like H3S+ stacked alternately in tetragonal and cubic slabs forming a long‐period modulation. The novel structure offers a new perspective on the possible origin of the superconductivity at very high temperatures in which the conducting electrons in the SH chains are perturbed by the fluxional motions of the H3S resulting in strong electron‐phonon coupling.
Discovery and Total Synthesis of Natural Cystobactamid Derivatives with Superior Activity against Gram‐Negative Pathogens
Authors: Hüttel Stephan , Testolin Giambattista , Herrmann Jennifer , Planke Therese , Gille Franziska , Moreno Maria , Stadler Marc , Brönstrup Mark , Kirschning Andreas , Müller Rolf 
Published: July 2017

AbstractAntibiotic discovery and development is challenging as chemical scaffolds of synthetic origin often lack the required pharmaceutical properties, and the discovery of novel ones from natural sources is tedious. Herein, we report the discovery of new cystobactamids with a significantly improved antibacterial profile in a detailed screening of myxobacterial producer strains. Some of these new derivatives display antibacterial activities in the low‐μg mL−1 range against Gram‐negative pathogens, including clinical isolates of Klebsiella oxytoca, Pseudomonas aeruginosa, and fluoroquinolone‐resistant Enterobacteriaceae, which were not observed for previously reported cystobactamids. Our findings provide structure–activity relationships and show how pathogen resistance can be overcome by natural scaffold diversity. The most promising derivative 861‐2 was prepared by total synthesis, enabling further chemical optimization of this privileged scaffold.
Tribological behaviors of polyurethane composites containing self‐lubricating microcapsules and reinforced by short carbon fibers
Authors: Mu Bo , Li Xin , Yang Baoping , Cui Jinfeng , Wang Xia , Guo Junhong , Bao Xuemei , Chen Li 
Published: July 2017

ABSTRACTSelf‐lubricating microcapsules containing methyl silicone oil as core materials, were prepared with poly(melamine‐formaldehyde) as shell material by in situ polymerization method. Combining with synergistic effect of the short carbon fibers (SCFs) which were systematically treated by liquid‐phase oxidation and chemical grafting, they were simultaneously adopted as reinforcing additives to improve the tribological and mechanical properties of polyurethane materials. The tribological behaviors and mechanical properties of the polyurethane composites have been investigated by a block‐on‐ring wear tester and electronic universal testing machine, respectively. The results indicate that the friction coefficient and wear rate of polyurethane composites without SCFs significantly decreased with increased self‐lubricating microcapsule concentration from 2.5 to 10 wt % due to the release of methyl silicone oil; meanwhile, the polyurethane composites filled with 10 wt % microcapsule and 15 wt % SCFs not only exhibited the lowest friction and wear behaviors, but also improved mechanical strength and thermal stability of polyurethane composites. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45331.
Porosity reduction of polyethylene glycol phase change materials by using nanoscale thermal‐energy‐conducting medium during crystallization process
Authors: Zhang Haiquan , Sun Qinrong , Yuan Yanping , Cao Xiaoling 
Published: July 2017

ABSTRACTPoly(ethylene glycols) (PEGs) are phase change materials (PCMs) that exhibit undesirable heat transfer properties, which restrict their industrial utility. Apart from the intrinsic material properties, a large quantity of micropores in the crystalline PEG polymers cause poor heat transfer performance. In this work, the formation and growth of micropores are reported through in situ characterization. The addition of a nanoscale thermal‐energy‐conducting medium into PCMs has been proposed for reducing their porosity. The mechanism for reducing porosity is reported for prepared composite PCMs. The intrinsic causes are thought to be the following. Metal oxide nanoparticles can migrate with the liquid PEG flow, which can reduce the thermal stresses in the crystal growth process. In addition, the nanoscale medium promotes heterogeneous nucleation. The results of this study show that reducing the porosity of the polymer crystals is an important approach for improving the heat transfer properties of the PEG PCMs. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45446.
Isothermal crystallization kinetics and spherulite morphologies of poly(lactic acid)/ethylene acrylate copolymer blends
Authors: Mat Taib Razaina , Tham Cho Yin 
Published: July 2017

ABSTRACTIsothermal crystallization kinetics and spherulite morphologies of partially immiscible blends of poly(lactic acid) (PLA) and ethylene acrylate copolymer (EAC) were investigated by differential scanning calorimetry (DSC) and polarized optical microscopy. The DSC data obtained was analyzed using the Avrami equation. Crystallization kinetics of PLA from the melt was strongly influenced by the blend composition and the crystallization temperature. At a given crystallization temperature, the overall crystallization rate value was greater in the blends than in PLA suggesting that the presence of EAC enhanced crystallization of PLA. Polarized optical micrographs showed that the crystallization of PLA initially took place at the PLA/EAC interface. At high EAC content (>1 wt %), EAC domains acted as hindrance to crystallization reducing the overall crystallization rate of PLA in the blends. Based on the DSC analysis, the crystallization rate was maximum when PLA blend with 1 wt % EAC was isothermally crystallized at 103 °C. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45487.
Synergistic effects of dual imidazolium polyoxometalates on intumescent flame retardant polypropylene
Authors: Wang Chengle , Wang Zhijing , Li Juan 
Published: July 2017

ABSTRACTThe role of dual imidazolium polyoxometalates (POMs) in the flame retardancy of polypropylene/intumescent flame retardant (PP/IFR) composites was studied. The results showed that the structures of dual imidazolium POMs have a great effect on the flame retardancy of PP composites. The dual imidazolium POMs based on an ethyl group (EMIPMA) obtain the best flame retardant efficiency. With 15.5 wt % IFR and 0.5 wt % EMIPMA, the PP composites reach a limiting oxygen index of 25.7 and the UL‐94 V‐0 standard. However, the dual imidazolium POMs containing a butyl (BMIPMA) or hexyl (HMIPMA) group cannot achieve the UL‐94 V‐0 standard at the same formulation. Dual imidazolium POMs not only promote the formation of good char, but also induce the formation of intumescent char with a hierarchical and microporous structure that helps to prevent gas and heat from transferring from the flame to the resin. Therefore, the flame retardancy of PP/IFR composites is improved. However, excessive combustible components produced by BMIPMA or HMIPMA deteriorate the flame retardancy of PP/IFR composites. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45491.
Preparation of poly(acrylamide‐co‐acrylic acid)/silica nanocomposite microspheres and their performance as a plugging material for deep profile control
Authors: Ji Jingqi , Zeng Chenlu , Ke Yangchuan , Pei Yang 
Published: July 2017

ABSTRACTIn this work, poly(acrylamide‐co‐acrylic acid)/silica [poly(AM‐co‐AA)/SiO2] microspheres were prepared by inverse phase suspension polymerization in the presence of γ‐3‐(trimethoxysilyl) propyl methacrylate (or 3‐methacryloxypropyltrimethoxysilane) modified SiO2. The effects of SiO2 nanoparticles on tuning morphology and properties of the nanocomposite microspheres were studied. Plugging ability and oil displacement performance were also systematically investigated by single‐ and double‐tube sand pack models. The results showed that SiO2 nanoparticles can effectively adjust surface smoothness, swelling behavior, and thermal stability of the nanocomposite microspheres. Compared with pure copolymer microspheres, these nanocomposite microspheres also displayed better salt tolerance and shear resistance. Such multifunctional nanocomposite microspheres can provide effective plugging in the high‐permeability channels and can also achieve deep profile control. The highest plugging rate can be 86.11% and the oil recovery for low‐permeability tube was enhanced by 19.69%. This research will provide a candidate material for the further enhanced oil recovery (EOR) research and supply the theoretical support for profile control system in field application. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45502.
Mesoporous water adsorbent material from poly high internal phase emulsion for agriculture application
Authors: Preechawong Jitima , Chindacharin Supakorn , Sapsrithong Pornsri , Nithitanakul Manit 
Published: July 2017

ABSTRACTMesoporous water adsorbent materials were prepared by high internal phase emulsion (HIPE) technique: a technique which used aqueous phase (water phase) as a temporary template (in the form of droplets) and oil phase (polymer phase) as a continuous structure. This research describes the preparation of porous poly[S/ethylene glycol dimethylacrylate (EGDMA)]HIPE from styrene crosslinked with EGDMA. Effects of chemical composition on the pores of the mesoporous adsorbents were investigated. The EGDMA concentration was varied between 0 and 40% of oil phase by total volume to give polyHIPE with various amounts of hydroxyl groups. Effects of oil: aqueous phase ratio on mesoporous adsorbent polyHIPEs resulted in interconnected pores in their morphology. The EGDMA concentration also affected the obtained polyHIPE morphology. The water adsorption of poly(S/EGDMA)HIPE gave high water adsorption, up to 350% of dry weight. The obtained polyHIPE with large average pore size were also found to give high water adsorption capacity. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 45509.
Synovial Immunophenotype and Anti–Citrullinated Peptide Antibodies in Rheumatoid Arthritis Patients
Authors: Orr Carl , Najm Aurelie , Biniecka Monika , McGarry Trudy , Ng Chin‐Teck , Young Francis , Fearon Ursula , Veale Douglas J. 
Published: July 2017

ObjectiveSerum anti–citrullinated peptide antibodies (ACPAs) may be present before the development of rheumatoid arthritis (RA) and may be predictive of more severe, erosive disease. This study was undertaken to examine the synovial tissue immunophenotype according to ACPA status in patients with RA, as well as the response to treatment and erosion status.MethodsConsecutive RA patients were prospectively recruited and underwent clinical and serologic assessments before and after treatment. Radiologic assessment was performed at the time of clinical follow‐up. Synovial tissue was immunostained for specific markers of B cells (CD19), T cells (CD3, CD4, and CD8), macrophages (CD68), and blood vessels (factor VIII). Serum CXCL13 levels were quantified by enzyme‐linked immunosorbent assay. Synovial tissue sections were analyzed for immunophenotype according to ACPA status, using a validated semiquantitative scoring method, and also analyzed for the presence of lymphoid aggregates. Response to treatment with nonbiologic or biologic disease‐modifying antirheumatic drugs was assessed using the European League Against Rheumatism (EULAR) response criteria.ResultsIn total, 123 subjects (78 ACPA+) were included. Compared to ACPA– RA patients, synovium from ACPA+ RA patients was characterized by significantly higher levels of CD19+ B cells and CD3+ and CD8+ T cells (each P < 0.05), and CD19+ B cell levels were significantly higher in patients who were naive to treatment. The CD19+ B cell infiltrate level was higher in patients with erosions at follow‐up (P = 0.0128). Levels of lymphoid aggregates of CD19+ B cells were significantly higher in ACPA+ patients (P < 0.05), and this was associated with increased serum CXCL13 levels. The EULAR response was significantly associated with the level of CD3+ T cell infiltrates (P < 0.05), while CD68+ macrophage and CD8+ T cell levels were predictive of the response to tumor necrosis factor inhibitors (P < 0.05).ConclusionThe results of this prospective study demonstrate that the levels of synovial B cell infiltrates and lymphoid aggregates were significantly higher in ACPA+ RA patients, especially those who were naive to treatment. In addition, ACPA+ subjects developed more erosions during progression of the disease and had higher serum levels of CXCL13. The EULAR response to therapy in ACPA+ RA patients was associated with increased levels of T cell and macrophage markers.
Synthesis, Structure, and Properties of Near‐Infrared [b]Phenanthrene‐Fused BF2 Azadipyrromethenes
Authors: Cui Jiuen , Sheng Wanle , Wu Qinghua , Yu Changjiang , Hao Erhong , Bobadova‐Parvanova Petia , Storer Marie , Asiri Abdullah M. , Marwani Hadi M. , Jiao Lijuan 
Published: July 2017

AbstractA new class of phenanthrene‐fused BF2 azadipyrromethene (azaBODIPY) dyes have been synthesized through a tandem Suzuki reaction and oxidative ring‐fusion reaction, or a palladium‐catalyzed intramolecular C−H activation reaction. These phenanthrene‐fused azaBODIPY dyes are highly photostable and display markedly redshifted absorption (up to λ=771 nm) and emission bands (λ≈800 nm) in the near‐infrared region. DFT calculations and cyclic voltammetry studies indicate that, upon annulation, more pronounced stabilization of the LUMO is the origin of the bathochromic shift of the absorption and high photostability.
Innovative Bohrverfahren und ihr Einfluss auf die Beschaffenheit und Geometrie von Bohrlöchern
Authors: Schwenn Michael , Lamplmair Stefan , Zeman Oliver , Bergmeister Konrad 
Published: July 2017

AbstractNachträglich installierte Befestigungen sind aus der Baupraxis nicht mehr wegzudenken und seit Jahrzehnten erfolgreich im Einsatz. Technologische Innovationen und vermehrt geänderte Rahmenbedingungen beim Einbau nachträglicher Befestigungen führen zu einem ansteigenden Einsatz alternativer Bohrmethoden. Im Gegensatz zum klassischen Hammerbohrer (Mauerbohrer) zählen hierzu u. a. Bohrer mit integrierter Bohrlochreinigung (Saugbohrer bzw. Hohlbohrer) und Diamantbohrsysteme, welche in Ausführungen mit und ohne Wasserkühlung eingesetzt werden. An Hammerbohrer werden im Bereich der nachträglichen Befestigungen durch die entsprechende Bewertung bzw. Zulassung bestimmte Anforderungen gestellt, was die einzuhaltenden Toleranzen des Schneidendurchmessers betrifft. In diesem Beitrag wird die Fragestellung behandelt, inwiefern die Geometrie und Oberflächenbeschaffenheit von Bohrlöchern, welche mit alternativen Bohrmethoden hergestellt wurden, durch den Einsatz ebendieser beeinflusst wird. In einem ersten Schritt werden auf Grundlage einer Oberflächenanalyse die verschiedenen Bohrmethoden klassifiziert. Darauf aufbauend erfolgt auf der Grundlage eines dreidimensionalen Modells des Bohrlochs ein direkter Vergleich zwischen hammer‐ und diamantgebohrten Bohrlöchern. Dabei zeigt sich, dass das gemessene Bohreckmaß bei einem Diamantbohrer eine andere Geometrie im Bohrloch verursacht, als dies bei Hammerbohrern der Fall ist. Diese geometrischen Verhältnisse können sich auf die Tragfähigkeit von Befestigungen auswirken.
Residual dynamic and risk assessment of dimethomorph in Swiss chard grown at two different sites
Authors: Kabir Md. Humayun , Abd El‐Aty A. M. , Rahman Md. Musfiqur , Chung Hyung Suk , Lee Han Sol , Kim Mi‐Ra , Chang Byung‐Joon , Wang Jing , Shin Ho‐Chul , Shim Jae‐Han 
Published: July 2017

AbstractResidue analysis of dimethomorph in Swiss chard cultivated at two different locations under greenhouse conditions was conducted using high‐performance liquid chromatography–ultraviolet detection and confirmed by tandem mass spectrometry. The randomly collected samples (over 14 days) were extracted with acetonitrile and purified using a Florisil solid‐phase extraction cartridge. Linearity over a concentration range of 0.05–50.0 mg/L had an excellent coefficient of determination of 0.9996. Recovery rate ranged from 82.98 to 95.43% with relative standard deviations ≤5.12% and limits of detection and quantification of 0.003 and 0.01 mg/kg, respectively. The initial deposits [day 0 (2 h post‐application)] were considerably lower (7.57 and 8.55 mg/kg for sites 1 and 2, respectively) than the maximum residue limit (30 mg/kg) set by the Korean Ministry of Food and Drug Safety. The dissipation half‐life was approximately the same, being 5.0 and 5.1 days for sites 1 and 2, respectively. Risk assessment estimated as acceptable daily intake revealed a value of 0.084 or 0.094% (day 0) and 0.014% (10 days post‐application), for sites 1 and 2, respectively. The values indicated that dimethomorph can be safely used on Swiss chard, with no hazardous effects expected for Korean consumers.