bluuebunny/crossref_metadata_2025_split huggingface dataset:
Creating Effective Nanoreactors on Carbon Nanotubes with Mechanochemical Treatments for High‐Areal‐Capacity Sulfur Cathodes and Lithium Anodes
Authors: Yang Gang , Tan Jian , Jin Ho , Kim Young Heon , Yang Xinyu , Son Dong Hee , Ahn Sangjung , Zhou Hongcai , Yu Choongho 
Published: June 2018

AbstractLi‐S batteries can potentially deliver high energy density and power, but polysulfide shuttle and lithium dendrite formations on Li metal anode have been the major hurdle. The polysulfide shuttle becomes severe particularly when the areal loading of the active material (sulfur) is increased to deliver the high energy density and the charge/discharge current density is raised to deliver high power. This study reports a novel mechanochemical method to create trenches on the surface of carbon nanotubes (CNTs) in free‐standing 3D porous CNT sponges. Unique spiral trenches are created by pressures during the chemical treatment process, providing polysulfide‐philic surfaces for cathode and lithiophilic surfaces for anode. The Li‐S cells made from manufacturing‐friendly sulfur‐sandwiched cathodes and lithium‐infused anodes using the mechanochemically treated electrodes exhibit a strikingly high areal capacity as high as 13.3 mAh cm−2, which is only marginally reduced even with a tenfold increase in current density (16 mA cm−2), demonstrating both high “cell‐level” energy density and power. The outstanding performance can be attributed to the significantly improved reaction kinetics and lowered overpotentials coming from the reduced interfacial resistance and charge transfer resistance at both cathodes and anodes. The trench–wall CNT sponge simultaneously tackles the most critical problems on both the cathodes and anodes of Li‐S batteries, and this method can be utilized in designing new electrode materials for energy storage and beyond.
Ion Transport beyond the Polyether Paradigm: Introducing Oligocarbonate Ion Transporters for Efficient Light‐Emitting Electrochemical Cells
Authors: Mindemark Jonas , Tang Shi , Li Hu , Edman Ludvig 
Published: June 2018

AbstractThe light‐emitting electrochemical cell (LEC) is fundamentally dependent on mobile ions for its operation. In polymer LECs, the mobile ions are commonly provided by dissolving a salt in an ion transporter, with the latter almost invariably being an ether‐based compound. Here, the synthesis, characterization, and application of a new class of carbonate‐based ion transporters are reported. A polymer LEC, comprising a star‐branched oligocarbonate endowed with aliphatic side groups as the ion transporter, features a current efficacy of 13.8 cd A−1 at a luminance of 1060 cd m−2, which is a record‐high efficiency/luminance combination for a singlet‐emitting LEC. It is further established that the design principles of a high‐performance carbonate ion transporter constitute the selection of an oligomeric structure over a corresponding polymeric structure and the endowment of the oligomer with functional side chains to render it compatible with the polymeric emitter.
Near‐Infrared Small Molecule Acceptor Enabled High‐Performance Nonfullerene Polymer Solar Cells with Over 13% Efficiency
Authors: Gao Wei , Liu Tao , Ming Ruijie , Luo Zhenghui , Wu Kailong , Zhang Lin , Xin Jingming , Xie Dongjun , Zhang Guangye , Ma Wei , Yan He , Yang Chuluo 
Published: June 2018

AbstractOne of the most promising approaches to achieve high‐performance polymer solar cells (PSCs) is to develop nonfullerene small molecule acceptors (SMAs) with an absorption extending to the near‐infrared (NIR) region. In this work, two novel SMAs, namely, BTTIC and BTOIC, are designed and synthesized, with optical bandgaps (Egopt) of 1.47 and 1.39 eV, respectively. Desipte the narrow Egopt, the PBDB‐T:BTTIC‐ and PBDB‐T:BTOIC‐based PSCs can maintain high VOCs of over 0.90 and 0.86 V, respectively, with low energy losses (Eloss) < 0.6 eV. Meanwhile, due to the favorable morphology of the PBDB‐T:BTTIC blend, balanced carrier mobilities are achieved. The high external quantum efficiencies enable a high power conversion efficiency (PCE) up to 13.18% for the PBDB‐T:BTTIC‐based PSCs. In comparison, BTOIC shows an excessive crystallization propensity owing to its oxyalkyl side groups, which eventually leads to a relatively low PCE for the PBDB‐T:BTOIC‐based PSCs. Overall, this work provides insights into the design of novel NIR‐absorbing SMAs for nonfullerene PSCs.
High‐Throughput Continuous Production of Shear‐Exfoliated 2D Layered Materials using Compressible Flows
Authors: Rizvi Reza , Nguyen Emily P. , Kowal Matthew D. , Mak Wai H. , Rasel Sheikh , Islam Md Akibul , Abdelaal Ahmed , Joshi Anup S. , Zekriardehani Shahab , Coleman Maria R. , Kaner Richard B. 
Published: June 2018

Abstract2D nanomaterials are finding numerous applications in next‐generation electronics, consumer goods, energy generation and storage, and healthcare. The rapid rise of utility and applications for 2D nanomaterials necessitates developing means for their mass production. This study details a new compressible flow exfoliation method for producing 2D nanomaterials using a multiphase flow of 2D layered materials suspended in a high‐pressure gas undergoing expansion. The expanded gas–solid mixture is sprayed in a suitable solvent, where a significant portion (up to 10% yield) of the initial hexagonal boron nitride material is found to be exfoliated with a mean thickness of 4.2 nm. The exfoliation is attributed to the high shear rates ( > 105 s−1) generated by supersonic flow of compressible gases inside narrow orifices and converging‐diverging channels. This method has significant advantages over current 2D material exfoliation methods, such as chemical intercalation and exfoliation, as well as liquid phase shear exfoliation, with the most obvious benefit being the fast, continuous nature of the process. Other advantages include environmentally friendly processing, reduced occurrence of defects, and the versatility to be applied to any 2D layered material using any gaseous medium. Scaling this process to industrial production has a strong possibility of reducing the cost of creating 2D nanomaterials.
A Magnifying Glass for Virtual Imaging of Subwavelength Resolution by Transformation Optics
Authors: Sun Fei , Guo Shuwei , Liu Yichao , He Sailing 
Published: June 2018

AbstractTraditional magnifying glasses can give magnified virtual images with diffraction‐limited resolution, that is, detailed information is lost. Here, a novel magnifying glass by transformation optics, referred to as a “superresolution magnifying glass” (SMG) is designed, which can produce magnified virtual images with a predetermined magnification factor and resolve subwavelength details (i.e., light sources with subwavelength distances can be resolved). Based on theoretical calculations and reductions, a metallic plate structure to produce the reduced SMG in microwave frequencies, which gives good performance verified by both numerical simulations and experimental results, is proposed and realized. The function of SMG is to create a superresolution virtual image, unlike traditional superresolution imaging devices that create real images. The proposed SMG will create a new branch of superresolution imaging technology.
Stable Blue Luminescent CsPbBr3 Perovskite Nanocrystals Confined in Mesoporous Thin Films
Authors: Malgras Victor , Henzie Joel , Takei Toshiaki , Yamauchi Yusuke 
Published: June 2018

AbstractCreating CsPbBr3 perovskite nanocrystals with bright blue emission is challenging because their optical properties depend sensitively on structure. Growing perovskites in mesoporous templates bypasses some of these purification issues because the size of the nanocrystal is governed by the dimensions of the pores. Mesoporous silica consisting of aligned channels with tunable diameter can be easily synthesized and used as a template. When the perovskite solution evaporates and retreats, some of the liquid remains trapped in the interconnecting pores by discontinuous dewetting. The precursor crystallizes, generating stable ca. 3.1 nm blue‐emitting perovskite nanocrystals. The mesoporous template also serves as a protective barrier to preserve the optical properties of the CsPbBr3 from atmospheric conditions. Compared to the bulk crystals and the powder composite, the strong blue‐shift of the emission peak in the film is accompanied by a decrease in the longer lifetime component and an 8‐fold increase in the external quantum efficiency.
Myoglobin‐Catalyzed C−H Functionalization of Unprotected Indoles
Authors: Vargas David A. , Tinoco Antonio , Tyagi Vikas , Fasan Rudi 
Published: June 2018

AbstractFunctionalized indoles are recurrent motifs in bioactive natural products and pharmaceuticals. While transition metal‐catalyzed carbene transfer has provided an attractive route to afford C3‐functionalized indoles, these protocols are viable only in the presence of N‐protected indoles, owing to competition from the more facile N−H insertion reaction. Herein, a biocatalytic strategy for enabling the direct C−H functionalization of unprotected indoles is reported. Engineered variants of myoglobin provide efficient biocatalysts for this reaction, which has no precedents in the biological world, enabling the transformation of a broad range of indoles in the presence of ethyl α‐diazoacetate to give the corresponding C3‐functionalized derivatives in high conversion yields and excellent chemoselectivity. This strategy could be exploited to develop a concise chemoenzymatic route to afford the nonsteroidal anti‐inflammatory drug indomethacin.
Site‐Specific Dual Labeling of Proteins on Cysteine Residues with Chlorotetrazines
Authors: Canovas Coline , Moreau Mathieu , Bernhard Claire , Oudot Alexandra , Guillemin Mélanie , Denat Franck , Goncalves Victor 
Published: June 2018

AbstractDual‐labeled biomolecules constitute a new generation of bioconjugates with promising applications in therapy and diagnosis. Unfortunately, the development of these new families of biologics is hampered by the technical difficulties associated with their construction. In particular, the site specificity of the conjugation is critical as the number and position of payloads can have a dramatic impact on the pharmacokinetics of the bioconjugate. Herein, we introduce dichlorotetrazine as a trivalent platform for the selective double modification of proteins on cysteine residues. This strategy is applied to the dual labeling of albumin with a macrocyclic chelator for nuclear imaging and a fluorescent probe for fluorescence imaging.
Synthesis of Stereodefined Borylated Dendralenes through Copper‐Catalyzed Allylboration of Alkynes
Authors: Rivera‐Chao Eva , Fañanás‐Mastral Martín 
Published: June 2018

AbstractAn efficient method to access diversely substituted borylated dendralenes from simple and readily available materials is reported. This method is based on a multicomponent copper‐catalyzed allylboration of alkynes with diboron and a 1,4‐dibromo‐2‐butene which provides bromo‐ and boron‐substituted skipped dienes with a remarkable chemo‐, stereo‐, and regioselectivity. These products can be easily transformed into dendralenic organoboronates, which display an extremely versatile reactivity as demonstrated by novel selective transformations.
Structure and Dynamics in the Nucleosome Revealed by Solid‐State NMR
Authors: Shi Xiangyan , Prasanna Chinmayi , Nagashima Toshio , Yamazaki Toshio , Pervushin Konstantin , Nordenskiöld Lars 
Published: June 2018

AbstractEukaryotic chromatin structure and dynamics play key roles in genomic regulation. In the current study, the secondary structure and intramolecular dynamics of human histone H4 (hH4) in the nucleosome core particle (NCP) and in a nucleosome array are determined by solid‐state NMR (SSNMR). Secondary structure elements are successfully localized in the hH4 in the NCP precipitated with Mg2+. In particular, dynamics on nanosecond to microsecond and microsecond to millisecond timescales are elucidated, revealing diverse internal motions in the hH4 protein. Relatively higher flexibility is observed for residues participating in the regulation of chromatin mobility and DNA accessibility. Furthermore, our study reveals that hH4 in the nucleosome array adopts the same structure and show similar internal dynamics as that in the NCP assembly while exhibiting relatively restricted motions in several regions consisting of residues in the N‐terminus, Loop 1, and the α3 helix region.
Characteristic analysis of biaxially stretched PVDF thin films
Authors: Ting Yung , Suprapto  , Chiu Chun‐Wei , Gunawan Hariyanto 
Published: June 2018

ABSTRACTBy use of biaxial stretching process of poly(vinylidene fluoride) fabrication to gain high piezoelectricity is the focus in this article. The influence of different stretch ratio and temperature are investigated and compared to uniaxial stretching process. The Fourier transform infrared spectroscopy and X‐ray diffraction are used to observe the β‐phase fraction and the degree of crystallinity. The piezoelectric coefficients (d33, d31) and the sensitivity are also measured. All the above characteristic examinations show the same consequences that equi‐biaxial stretching process employed with same stretch ratio in both axial directions of poly(vinylidene fluoride) fabrication is the focus in this article. And heating temperature would have adequate piezoelectricity approximate to uniaxial stretching. In observation of surface morphology by using scanning electron microscopy, uniformity in biaxial direction is gained. However, biaxial stretching with higher stretch ratio of R = 4 × 4 would produce porosity and crack. Via atomic force microscopy, biaxial stretching with higher stretch ratio attains better surface chain orientation and smoothness. To sum up, the biaxial stretching approach has the advantage of low stretch ratio requirement to preserve good fabrication quality. Set up with stretch ratio in‐between R = 3 × 3 and R = 4 × 4 at 80 °C is suggested to use in biaxial stretching. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46677.
A stochastic techno‐economic analysis of shrub willow production using EcoWillow 3.0S
Authors: Frank Jenny R. , Brown Tristan R. , Volk Timothy A. , Heavey Justin P. , Malmsheimer Robert W. 
Published: June 2018

AbstractEcoWillow 3.0S is a techno‐economic analysis (TEA) tool that calculates realistic willow biomass production costs using data from field trials of willow production in New York State. The model represents the input parameters for diesel fuel price, wood price, and willow yield as data‐derived probability distributions rather than as single values. This study uses EcoWillow 3.0S with Oracle Crystal Ball to perform a stochastic TEA of shrub willow production in the northeastern USA. Two outputs obtained from this model are a 24‐year net present value (NPV) and minimum selling price (MSP) of shrub willow production under price and yield uncertainty. The MSP for dry willow ranges within a 95% confidence interval from $59–$102/Mg. The NPV, also within a 95% confidence interval, ranges from −$153 819 to $207 129 for 40 ha of willow harvested seven times over 24 years. The relevance of this study is to use the TEA methodology to assess the financial feasibility of shrub willow production as a bioenergy feedstock. The results of this analysis provide the bioenergy field with NPV and MSP probability distributions on shrub willow production that have previously been absent from the refereed literature. Using data collected from field operations over a number of years, EcoWillow 3.0S captures some of the key inputs that influence the variation in the delivered cost of willow biomass crops. © 2018 Society of Chemical Industry and John Wiley & Sons, Ltd
The complexity of the environment, management control and firm performance
Authors: Arrive Jean Tsitaire , Feng Mei 
Published: June 2018

AbstractThe objective of this study is to contribute to the strengthening of management control systems in the face of environmental complexities with assumptions related to competent staff and real‐time information. A questionnaire and the quota‐sampling method of 32 Chinese‐listed companies in Madagascar were used. The results show that both assumptions of competent staff and real‐time information are factors leading to effective management control. The first hypothesis is confirmed with a correlation coefficient of 0.9, and the second hypothesis is confirmed with a correlation coefficient of 0.8. The study indicates that having competent staff, in terms of management control and in terms of anticipation of the facts, is the main factor in effective management control.
Smart Nanoparticles for Selective Immobilization of Acid Phosphatases
Authors: Nagy Flóra , Tasnádi Gábor , Balogh‐Weiser Diána , Bell Evelin , Hall Mélanie , Faber Kurt , Poppe László 
Published: June 2018

AbstractAn easy to use method combining the selectivity of metal chelate affinity binding with strong covalent linking was developed for immobilization of non‐specific acid phosphatases bearing a His‐tag from crude cell lysate. Silica nanoparticles were grafted with aminopropyl functions which were partially transformed further with EDTA dianhydride to chelators. The heterofunctionalized nanoparticles charged with Ni2+ as the most appropriate metal ion were applied as support. First, the His‐tagged phosphatases were selectively bound to the metal‐chelate functions of the support. Then, the enzyme‐charged silica nanoparticles were further stabilized by forming a covalent linkage between nucleophilic moieties at the enzyme surface and free amino groups of the support using neopentylglycol diglycidylether as the most effective bifunctional linking agent. The phosphatase biocatalysts obtained by this method exhibited better phosphate transfer activity with a range of alcohols and PPi as phosphate donor in aqueous medium applying batch and continuous‐flow modes than the ones immobilized on conventional supports. Furthermore, this novel strategy opens up novel possibility for efficient immobilization of other His‐tagged recombinant enzymes.
Competitive Adsorption of Nitrite and Hydrogen on Palladium during Nitrite Hydrogenation
Authors: Postma Rolf Sybren , Brunet Espinosa Roger , Lefferts Leon 
Published: June 2018

AbstractNitrite hydrogenation is studied in steady‐state as well as transient operation using a Pd catalyst in a tubular membrane contactor reactor. A negative reaction order in hydrogen in steady state operation proofs that hydrogen and nitrite adsorb competitively. In transient operation, feeding nitrite to the Pd surface fully covered with hydrogen results initially in very low conversion of nitrite, speeding up once hydrogen is removed from part of the Pd surface. Additional proof for competitive adsorption between hydrogen and nitrite is provided by the observation that exposure of a nitrite‐covered catalyst to hydrogen induces desorption of nitrite. Formation of ammonia in these experiments proceeds via two pathways, first via a fast reaction followed by extremely slow hydrogenation of adsorbed N atoms, which is kinetically not relevant. This information is relevant for designing effective and selective catalysts when operating at very low nitrite concentration.
Recent Developments in Transition Metal‐Catalyzed Cross‐Dehydrogenative Coupling Reactions of Ethers and Thioethers
Authors: Faisca Phillips Ana Maria , Pombeiro Armando J. L. 
Published: June 2018

AbstractCross‐dehydrogenative coupling of two C−H bonds or a C−H and an X−H bond (X=N, O, P, S, etc.) has emerged as a powerful new synthetic methodology in the last 12 years. Using this approach, simple ethers, often utilized as solvents, and more complex ones, as well as thioethers, have become important alkylating agents, when reacted directly, under oxidative conditions in the presence of suitable reagents. This environmentally friendly, sustainable procedure, has been used to alkylate a wide range of substrates, from simple ketones and acids to alkyl benzenes, coumarins, indoles, oxazoles, benzoxazoles or (benzo)thiazoles and more. This Review is a systematic presentation of the developments in transition metal‐catalyzed CDC reactions, including photoredox processes, which took place between 2014 and early 2018, with an emphasis on the later years.
Air‐stable Bis(pentamethylcyclopentadienyl) Zirconium Perfluorooctanesulfonate as an Efficient and Recyclable Catalyst for the Synthesis of N‐substituted Amides
Authors: Li Ningbo , Wang Lingxiao , Zhang Liting , Zhao Wenjie , Qiao Jie , Xu Xinhua , Liang Zhiwu 
Published: June 2018

AbstractBis(pentamethylcyclopentadienyl) zirconium perfluorooctanesulfonate is an air‐stable and water‐tolerant Lewis acid. This complex exhibited good thermal stability and high solubility in polar organic solvents. The compound showed relatively strong acidity, with an acid strength of 0.8<Ho≤3.3, and high catalytic efficiency for the synthesis of N‐substituted amides via the reaction of carboxylic acids with amines, the Ritter reaction of nitriles with alcohols, and the amination of alcohols with amides. Moreover, the complex had good reusability. This catalytic system affords a simple and efficient way to synthesize N‐substituted amides.
Synthesis, Characterization and Catalytic Activity of NHC Gold(I) Polyoxometalate Complexes
Authors: Sirindil Fatih , Nolan Steven P. , Dagorne Samuel , Pale Patrick , Blanc Aurélien , de Frémont Pierre 
Published: June 2018

AbstractThe new hybrid NHC gold(I) acetonitrile polyoxometalate complexes {[Au(IPr)(MeCN)+][H+]3[SiW12O404−] (1), [Au(IPr)(MeCN)+][H+]2[PMo12O403−] (2), [Au(IPr)(MeCN)+][H+]5[P2W18O626−] (3), [Au(IPr)(MeCN)+][H+]2[PW12O403−] (4), [Au(IPr)(MeCN)+]3[PMo12O403−] (5) and [Au(ItBu)(MeCN)+] [H+]2[PMo12O403−] (6)} were readily synthesized in high yield and characterized by NMR and MS‐ESI spectroscopy. In a preliminary catalytic study, their activity was assessed under heterogeneous conditions for the ene‐yne rearrangement reaction and a cycloisomerization reaction. Additionally, their reactivity and recyclability were tested in the hydration of alkynes under homogeneous conditions.
Hydrothermal Addition Polymerization for Ultrahigh‐Yield Carbonized Polymer Dots with Room Temperature Phosphorescence via Nanocomposite
Authors: Xia Chunlei , Tao Songyuan , Zhu Shoujun , Song Yubin , Feng Tanglue , Zeng Qingsen , Liu Junjun , Yang Bai 
Published: June 2018

AbstractHydrothermal/solvothermal treatments have been widely used to prepare carbonized polymer dots (CPDs) through the condensation and carbonization of small molecules and/or polymers. However, the basic scientific issues, such as the nucleation and growth process, morphology and size control, yield increase, and photoluminescence (PL) mechanism have not been well investigated. In this work, enlightened by the principle of soap‐free emulsion polymerization, CPDs with ultrahigh yields (ca. 85 %) were obtained by hydrothermal addition polymerization and carbonization (HAPC) of monomers. The unprecedented initiator‐induced addition polymerization was exploited to synthesize CPDs for the first time. As expected in typical emulsion polymerization processes, the developed HAPC method can produce CPDs with designed sizes by systematically regulating the HAPC parameter, uncovering an unprecedented strategy for regulating the size of CPDs. In addition, the obtained CPDs were provided with high photoluminescence quantum yields (PLQY) up to 45.58 %, while the relationship between the photoluminescence (PL) mechanism and chemical structure was investigated. The viscosity parameter was first adopted to measure the polymer property of CPDs. Moreover, the ultrahigh yield and low‐cost CPDs elicited the high‐performance CPDs/PVA nanocomposite (PVA=poly(vinyl alcohol)) with fluorescence and room‐temperature phosphorescence dual‐mode emission, demonstrating potential for advanced anti‐counterfeit applications.