bluuebunny/crossref_metadata_2025_split huggingface dataset:
An Efficient Synthesis of 6‐oxa‐spiro[3.4]octan‐1‐one Derivates Through 3‐diazochroman‐4‐one and Alkene
Authors: Xiao Meiling , Zhang Fuming , Du Zhe , Ma Baochun 
Published: December 2017

AbstractSpiro[2,2‐dimethyl‐benzofuran,bicyclo [4.2.0]octane]‐7′‐one with fused and spirocyclic oxygen‐containing rigid skeleton structure is obtained via Wolff rearrangement and cycloaddition with good yields. Then Spiro[2,2‐dimethyl‐benzofuran,hexahydro‐isobenzofuran]‐7′‐one is synthesized by further Baeyer‐Villiger oxidation. These two kinds of products have a special fused and spirocyclic oxygen‐containing rigid skeleton structure and are reported by our group.magnified image
Merging Gold Catalysis and Brønsted Acid Catalysis for the Synthesis of Tetrahydrobenzo[b][1,8]naphthyridines
Authors: Yi Ruxia , Li Xincheng , Wan Boshun 
Published: December 2017

AbstractA gold(I)/Brønsted acid‐catalyzed cyclization of 2‐azidobenzaldehydes with 3‐aza‐1,6‐enynes has been developed for the synthesis of tetrahydrobenzo[b][1,8]naphthyridine derivatives. This protocol enabled the modular synthesis of tetracyclic heterocycles in one operation with water and nitrogen gas as the byproducts.magnified image
On the Effect of Confinement on the Structure and Properties of Small‐Molecular Organic Semiconductors
Authors: Martín Jaime , Dyson Matthew , Reid Obadiah G. , Li Ruipeng , Nogales Aurora , Smilgies Detlef‐M. , Silva Carlos , Rumbles Garry , Amassian Aram , Stingelin Natalie 
Published: December 2017

AbstractMany typical organic optoelectronic devices, such as light‐emitting diodes, field‐effect transistors, and photovoltaic cells, use an ultrathin active layer where the organic semiconductor is confined within nanoscale dimensions. However, the question of how this spatial constraint impacts the active material is rarely addressed, although it may have a drastic influence on the phase behavior and microstructure of the active layer and hence the final performance. Here, the small‐molecule semiconductor p‐DTS(FBTTh2)2 is used as a model system to illustrate how sensitive this class of material can be to spatial confinement on device‐relevant length scales. It is also shown that this effect can be exploited; it is demonstrated, for instance, that spatial confinement is an efficient tool to direct the crystal orientation and overall texture of p‐DTS(FBTTh2)2 structures in a controlled manner, allowing for the manipulation of properties including photoluminescence and charge transport characteristics. This insight should be widely applicable as the temperature/confinement phase diagrams established via differential scanning calorimetry and grazing‐incidence X‐ray diffraction are used to identify specific processing routes that can be directly extrapolated to other functional organic materials, such as polymeric semiconductors, ferroelectrics or high‐refractive‐index polymers, to induce desired crystal textures or specific (potentially new) polymorphs.
On the Working Mechanisms of Solid‐State Double‐Layer‐Dielectric‐Based Organic Field‐Effect Transistors and Their Implication for Sensors
Authors: Pfattner Raphael , Foudeh Amir M. , Liong Celine , Bettinson Lance , Hinckley Allison C. , Kong Desheng , Bao Zhenan 
Published: December 2017

AbstractDue to relatively low charge‐carrier mobilities in organic materials, high operational voltages often have to be applied and result in severe limitations. While it has been reported that elastic polymeric dielectrics, containing a very low ion concentration, are able to overcome this bottleneck, a systematic study on the working mechanisms and their implications for sensors is still missing. Due to the possibility to form a double‐layer capacitor while maintaining high insulating properties, such dielectrics enable stable low‐voltage devices, giving access to high current output and high on/off ratio even below 0.5 V. Field‐effect transistor devices are used to characterize this novel class of materials and to unravel their working mechanisms. To address their capability for sensors, a proof‐of‐concept experiment is performed, i.e., photoresponse is characterized and the field‐effect dependence is analyzed. Stable low‐voltage operation is a crucial issue, especially for biosensor applications which typically operate in physiological liquids and are limited by the small electrochemical window of water.
Semiconducting Copolymers Based on meso‐Substituted BODIPY for Inverted Organic Solar Cells and Field‐Effect Transistors
Authors: Ozdemir Mehmet , Kim Sang Woo , Kim Hyungsug , Kim Myung‐Gil , Kim Bumjoon J. , Kim Choongik , Usta Hakan 
Published: December 2017

AbstractThe synthesis, physicochemical, and optoelectronic properties of a new class of low band‐gap (≈1.3 eV) donor–acceptor copolymers based on a highly electron‐deficient meso‐5‐(2‐octyldodecyl)thiophene‐substituted BODIPY π‐unit are presented. The polymeric solutions exhibit strong aggregation‐dependent excitonic properties indicating the presence of enhanced π‐coherence as a result of strong interchain interactions. The polymeric semiconductor thin films prepared by spin coating show isotropic nodule‐like grains with essentially no ordering in the out‐of‐plane direction. Field‐effect hole mobilities of 0.005 cm2 V−1·s−1 are observed in bottom‐gate top‐contact organic field‐effect transistors, and inverted bulk‐heterojunction organic photovoltaics employing the polymer:PC71BM active layer exhibit excellent power conversion efficiencies of 6.2% with a short‐circuit current of 16.6 mA cm−2. As far as it is known, this is a record high value achieved to date for a boron‐containing donor polymer in the photovoltaic literature indicating a significant enhancement in power conversion efficiency (>3–4 times). The findings clearly present that rationally designed BODIPY‐based donor–acceptor copolymers can be a key player in photovoltaic applications.
Pronounced Photovoltaic Effect in Electrically Tunable Lateral Black‐Phosphorus Heterojunction Diode
Authors: Wang Lin , Huang Li , Tan Wee Chong , Feng Xuewei , Chen Li , Ang Kah‐Wee 
Published: December 2017

AbstractRecently, both lateral and vertical p–n junctions have been realized in 2D materials using various strategies, with a number of works on exploring the potential of lateral heterojunctions resulting from thickness‐modulated bandgaps at the interface. Here, electrically tunable all‐black‐phosphorus (BP) lateral heterojunction diodes, without the need of split‐gating or selective chemical doping or transfer‐based vertical stacking, are experimentally demonstrated. The BP heterojunction diode, which exhibits an ultralow off‐state current density of 8 pA µm−1 at a mere Vd of 100 mV and a significant gate‐tunable current‐rectifying behavior with the highest rectification ratio exceeding 600, is able to harvest solar energy at both visible and near‐infrared wavelengths beyond the bandgap limitation of transition metal dichalcogenides. Specifically, at 660 nm, the device achieves an open‐circuit voltage (Voc) of 210 mV and a short‐circuit current (Isc) of 1.5 nA at 3.6 W cm−2 power density, resulting in an external quantum efficiency of 7.4% which outperforms both split‐gating and chemically doped homojunctions. This work paves the way for the exploitation of BP lateral heterojunction for broadband energy harvesting towards future optoelectronic applications.
Ultrasound evaluation following deep forearm laceration
Authors: Sirlyn Quanson 
Published: December 2017

AbstractDeep laceration of the forearm often involves rupture to multiple tendons and nerves. Misdiagnosis of the extent of soft tissue involvement may result in subsequent functional impairment of the hand. Physical examination of suspected tendon or nerve damage, either from open or closed injuries, can be difficult. The outcome may vary depending on the clinician's experience and possibly result in missed or false‐positive results. With the advances in current ultrasound (US) systems and their widespread availability, the affected tendons and nerves can be accurately depicted to provide crucial information used in formulating a treatment strategy.
Mechanical performance of tubular composites reinforced by innovative 3D integrated knitted spacer fabrics
Authors: Omrani Elahe , Hasani Hossein , Esmaeili Faraneh 
Published: December 2017

ABSTRACTThis article aimed to investigate the mechanical performance of 3D integrated knitted spacer composites with a tubular shape, in term of internal hydrostatic and external static pressures (ESP). All the tubular‐knitted fabrics were produced on a modern flat knitting machine using untwisted glass and HT‐nylon yarns. Then, the epoxy resin was transferred through the whole fabric structure via vacuum infusion molding process. Produced tubular composites were subjected to internal hydrostatic and ESP. Accordingly, force–displacement curves were obtained and experimental results were discussed. The results revealed that the tubular composite samples containing non‐knitting yarns show 27.33 and 37.50% improvement in internal hydrostatic and ESP, respectively, compared with the plain knitted fabric reinforced composite. Also, the finding demonstrated that mechanical performance of the tubular‐knitted spacer composites is highly affected by aspect ratio and the number of connecting layers. Knitted spacer reinforced composite containing 5 and 10 connecting layers can improve the resistance against internal hydrostatic pressure 35.08 and 51.29%, respectively, compared with the plain knitted reinforced composites. In this case, 84.20 and 89.86% improvement can be achieved in term of the resistance against ESP. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2018,135, 46074.
Reinforcement of the mechanical properties in nitrile rubber by adding graphene oxide/silicon dioxide hybrid nanoparticles
Authors: Zhang Zhao , He Xianru , Wang Xin , Rodrigues Alisson M. , Zhang Rui 
Published: December 2017

ABSTRACTGraphene oxide (GO) and silicon dioxide (SiO2) nanoparticles have been hybridized for improving the mechanical and dynamic mechanical properties of nitrile rubber (NBR). SiO2 nanoparticles were homogeneously dispersed on the surface and between layers of GO, and the new hybrid nanoparticles formed (GO/SiO2) had better thermal stability than GO. To evaluate the mechanical properties, GO/SiO2/NBR nanocomposites were prepared by solution blending and mechanical solution methods. It was observed that tensile strength increased in a larger grade in GO/SiO2/NBR nanocomposites than that in GO/NBR and SiO2/NBR nanocomposites, while the elongation at break only changes smoothly. Moreover, dynamics measurements also indicated that the elasticity increased after adding GO/SiO2 hybrid nanoparticles in NBR. From morphology's analysis of GO/SiO2/NBR and GO/NBR nanocomposites, it is was conclude that the hybridization of the GO/SiO2 was the determining factor for the reinforcement of the mechanical properties and elasticity of the NBR. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46091.
Influence of chemical functionalization of carbon nanotubes on their dispersibility in alkyl methacrylate polymer matrix
Authors: Faraguna Fabio , Vidović Elvira , Jukić Ante 
Published: December 2017

ABSTRACTNanocomposites based on poly(methyl methacrylate) (PMMA) and poly(methyl methacrylate‐co‐octadecyl methacrylate) (M/O) matrices and four different types of multiwall carbon nanotubes: pristine, oxidized (MWCNT–COOH), methyl ester (MWCNT–COOCH3), and dodecyl ester (MWCNT–COOC12H25) functionalized, were prepared in situ by radical (co)polymerization. The effectiveness of preparation of nanocomposites regarding dispersion and distribution of various MWCNT in polymer matrices was sized by Scanning electron microscopy. In case of PMMA matrix, the best dispersion and distribution were accomplished for MWCNT–COOCH3 due to their chemical resemblance with polymer matrix. After the introduction of 10 mol % of octadecyl methacrylate in polymer matrix a fairly good dispersion and distribution of MWCNT–COOCH3 were retained. The addition of 1 wt % of MWCNTs caused a significant reduction in the degree of polymerization of the PMMA matrix. But at the same time, the present MWCNTs increased storage modulus of PMMA nanocomposites except for dodecyl ester functionalized MWCNT. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46113.
Surfactant‐Dependent Charge Transfer between Polyoxometalates and Single‐Walled Carbon Nanotubes: A Fluorescence Spectroscopic Study
Authors: Hong Liu , Nakashima Naotoshi , Li Yunxing , Jia Hongbing , Yang Cheng 
Published: December 2017

AbstractHybridizations of redox‐active polyoxometalates (POMs) with single‐walled carbon nanotubes (SWNTs) have been widely investigated for their diverse applications. For the purpose of constructing high‐quality electronic devices, controlling charge transfer within POM/SWNT hybrids is an inevitable issue. As determined by means of fluorescence spectroscopy, electron transfer between SWNTs and a common POM dopant, phosphomolybdic acid (PMo12), can be tuned simply by an alteration of nanotube surfactant type from anionic to nonionic. The mechanism is attributed to the influence of surfactant type on the stabilization of the electron donor–acceptor hybrid and effect of surfactant–nanotube interactions. These results will be important to control charge‐transport behavior in nanohybrids consisting of carbon nanotubes.
Climate Change and Mandatory Carbon Reporting: Impacts on Business Process and Performance
Authors: Tang Samuel , Demeritt David 
Published: December 2017

AbstractAs part of their annual directors' report, UK‐listed companies are now required to disclose their greenhouse gas emissions and account publicly for their contributions to climate change. This paper uses this mandatory carbon reporting to explore wider debates about corporate social responsibility and the purpose, practice, and impacts of such non‐financial reporting. Empirically, it combines documentary analysis of the carbon reporting practices of 176 large firms listed in the FTSE100 and/or subject to the UK government's adaptation reporting power with 60 interviews with stakeholders involved in carbon reporting. Firms disclose their emissions in response to financial incentives, social pressure and/or regulatory compulsion. In turn, rationales shape whether and how carbon reporting influences internal business processes and performance. The importance of reporting to the bottom line varies by sector depending on two variables – energy intensity and economic regulator status – yet there is limited evidence that carbon reporting is driving substantial reductions in emissions. Findings suggest reasons for caution about hopes for ‘nudging’ firms to improve their environmental performance and social responsibility through disclosure requirements.
Integrating diversity into therapy processes: The role of individual and cultural diversity competences in promoting equality of care
Authors: Moleiro Carla , Freire Jaclin , Pinto Nuno , Roberto Sandra 
Published: December 2017

AbstractBackgroundOne of the most significant challenges facing the provision of health care in present societies is the fact that the largest growing segment of the patient population is comprised of individual and culturally diverse people. However, the impact of this diversity on clinician–client interactions has only been examined recently. This study addresses the issues of culture and diversity in psychotherapy processes in Portugal.MethodsThe study used an analogue experimental design, in a qualitative analogue study. The sample included 31 psychotherapists of varied years of experience and theoretical training background. Cultural diversity competences were measured with a semi‐structured interview, through case conceptualisation and intervention planning by watching four minute video case vignettes with stigmatised group clients (varying on migration background, religion, race and sexual orientation), and all female college students presenting the same complaint. Two cases (of four) were presented to each psychotherapist (at random, controlling for presentation order). Interviews addressed case conceptualisation of each of the clients, as well as questions on how the participants typically integrated diversity in psychotherapy practice. Transcripts of the interviews were analysed incorporating features of thematic content analysis and Consensual Qualitative Research.FindingsResults showed that awareness, knowledge and skills were identified mostly at a level of blindness (n = 519; 70.5%) and precompetence (n = 172; 23.5%), while only a few units of analysis were categorised as competent (n = 43; 6.0%).ConclusionsThis study highlights the importance of individual and cultural diversity competence training for clinicians, particularly in Europe, given its current migratory context, and encourages the promotion of diversity‐sensitive approaches in mental health care.
Oxygen Reduction Reaction on Ag(111) in Alkaline Solution: A Combined Density Functional Theory and Kinetic Monte Carlo Study
Authors: Liu Shizhong , White Michael G. , Liu Ping 
Published: December 2017

AbstractWe reported a detailed mechanistic study of the oxygen reduction reaction (ORR) on the model Ag(111) surface in alkaline solution by using density functional theory (DFT) and Kinetic Monte Carlo (KMC) simulations, in which multiple pathways involving either 2 e− or 4 e− mechanisms were included. The theoretical modelling presented is able to reproduce the experimentally measured polarization curves in both low and high potential regions. An electrochemical 4 e− network including both a chemisorbed water (*H2O)‐mediated 4 e− associative pathway and the conventional associative pathway was identified to dominate the ORR mechanism. On the basis of the mechanistic understanding derived from these calculations, the ways to promote the ORR on Ag(111) were provided, including facilitating *OH removal, **O2 reduction by *H2O, and suppressing **O2 desorption. Finally, the origin of the different ORR behaviors of Ag(111) and Pt(111) was also discussed in detail.
Hydrotalcites Promoted by NaAlO2 as Strongly Basic Catalysts with Record Activity in Glycerol Carbonate Synthesis
Authors: Ramesh Sreerangappa , Devred François , van den Biggelaar Ludivine , Debecker Damien P. 
Published: December 2017

AbstractA new type of highly basic catalysts is obtained by promoting Mg–Al layered double hydroxides with sodium aluminate. The Mg–Al mixed oxides obtained by the calcination of pristine hydrotalcites are poorly active in the synthesis of glycerol carbonate from glycerol and dimethyl carbonate (DCM). Pure sodium aluminate on the other hand is highly active in this reaction, but it is also highly corrosive, making its handling problematic. Remarkably, promoting hydrotalcites with low amounts of sodium aluminate is sufficient to reach high yields. At 90 °C, with 3 wt % catalyst and with a DMC/glycerol ratio of 2:1, a glycerol conversion of 92 % was achieved after 30 min over the 10 wt % NaAlO2/hydrotalcite catalyst with almost 100 % selectivity towards glycerol carbonate. The texture and the crystallinity of the catalysts were strongly affected by the addition of NaAlO2. The high activity was clearly correlated with the boost in basicity brought about by sodium aluminate promotion. Whereas pristine hydrotalcites possess only weak basic sites, the basicity of the catalysts increased drastically upon promotion with NaAlO2, both in amount and strength. Diffuse reflectance infrared spectroscopy coupled with CO2 adsorption measurements revealed the presence of surface carbonates arising from strongly basic sites. Importantly, our study demonstrates that these basic catalysts are truly heterogeneous, stable, and reusable.
Solid Molecular Frustrated Lewis Pairs in a Polyamine Organic Framework for the Catalytic Metal‐free Hydrogenation of Alkenes
Authors: Willms Andrea , Schumacher Hannah , Tabassum Tarnuma , Qi Long , Scott Susannah L. , Hausoul Peter J. C. , Rose Marcus 
Published: December 2017

AbstractWe report for the first time a metal‐free heterogeneously catalyzed hydrogenation using a semi‐solid frustrated Lewis pair (FLP). The catalyst consists of a solid polyamine organic framework and molecular tris(pentafluorophenyl)borane (BCF) that form a semi‐immobilized FLP in situ in the catalytic hydrogenation of diethyl benzylidenemalonate. 11B NMR spectroscopy proves the successful hydrogen activation by the FLP. Furthermore, the B−N interactions between the polyamine and BCF are investigated by IR and solid state NMR spectroscopy. The FLP 1,4‐diazabicyclo[2.2.2]octane (DABCO)/BCF, which combines the features of a FLP and a classical Lewis adduct, functions as molecular reference in both, catalysis and characterization. Furthermore, computational studies enable a better insight into the hydrogen activation through DABCO/BCF and polyamine/BCF.
Green Synthesis of a New Al‐MOF Based on the Aliphatic Linker Mesaconic Acid: Structure, Properties and In Situ Crystallisation Studies of Al‐MIL‐68‐Mes
Authors: Reinsch Helge , Homburg Thomas , Heidenreich Niclas , Fröhlich Dominik , Hennninger Stefan , Wark Michael , Stock Norbert 
Published: December 2017

AbstractA new aluminium metal‐organic framework (MOF), based on the short aliphatic linker molecule mesaconic acid (H2Mes; methylfumaric acid) is reported. Al‐MIL‐68‐Mes with composition [Al(OH)(O2C‐C3H4‐CO2)]⋅n H2O is obtained after short reaction times of 45 minutes under mild, aqueous synthesis conditions (95 °C). It exhibits a kagome‐like framework structure with large hexagonal, and small trigonal channels (diameters of ≈6 and ≈2 Å, respectively) and a specific surface area of SBET ≈1040 m2 g−1 (VMIC=0.42 cm3 g−1). A sigmoidal vapour sorption isotherm for water, and uptakes of water and methanol above 30 wt. % were observed. Al‐MIL‐68‐Mes is stable against water ad‐/desorption and its thermal stability is 350 °C in air. The proton conductivity for the hydrated MOF showed values up to 1.1×10−5 S cm at 130 °C and 100 % relative humidity, which exceeds the values observed for the non‐hydrated compound by up to four orders of magnitude. Using synchrotron radiation the crystallisation of the MOF by in situ PXRD was also studied at temperatures from 80 to 100 °C. Kinetic evaluation revealed that the induction periods and crystallization times vary depending on the synthesis batch, but the rate limiting steps are consistently observed.
A Novel Reconfigurable Logic Unit Based on the DNA‐Templated Potassium‐Concentration‐Dependent Supramolecular Assembly
Authors: Yang Chunrong , Zou Dan , Chen Jianchi , Zhang Linyan , Miao Jiarong , Huang Dan , Du Yuanyuan , Yang Shu , Yang Qianfan , Tang Yalin 
Published: December 2017

AbstractPlenty of molecular circuits with specific functions have been developed; however, logic units with reconfigurability, which could simplify the circuits and speed up the information process, are rarely reported. In this work, we designed a novel reconfigurable logic unit based on a DNA‐templated, potassium‐concentration‐dependent, supramolecular assembly, which could respond to the input stimuli of H+ and K+. By inputting different concentrations of K+, the logic unit could implement three significant functions, including a half adder, a half subtractor, and a 2‐to‐4 decoder. Considering its reconfigurable ability and good performance, the novel prototypes developed here may serve as a promising proof of principle in molecular computers.