bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hydrophobic, Structure‐Tunable Cu Nanowire@Graphene Core–Shell Aerogels for Piezoresistive Pressure Sensing
Authors: Wu Shiting , Zou Mingchu , Shi Xiaowei , Yuan Yongjun , Bai Wangfeng , Ding Mingye , Cao Anyuan 
Published: August 2019

AbstractCopper nanowires (CuNWs) are highly conductive yet low‐cost nanostructures for constructing piezoresistive pressure sensors. Rational design and controllable fabrication are essential steps toward high‐performance CuNW‐based sensors, and the oxidation tendency of CuNWs must be inhibited. Conducting and flexible CuNW@graphene (CuNW@G) core–shell aerogels are fabricated with tunable microstructures via a simple assembly followed by thermal annealing, in which the aerogel bulk density, surface wettability, Young's modulus, and electrical conductivity can be adjusted accordingly by varying the initial CuNW dispersion concentration. In particular, these core–shell aerogels convert from hydrophobic to superhydrophobic at higher CuNW concentration with reduced adhesion to water. In the range of investigated CuNW dispersion concentration, the chemical constituent and structure of as‐produced graphene shell is nearly the same, as is the aerogel's antioxidation stability. Based on the piezoresistivity of the core–shell aerogels, flexible pressure sensors operated at a bias voltage of 0.1 V are demonstrated, which can detect compressive stress as low as 640 Pa and exhibit fast response time less than 16 ms. Furthermore, polydimethylsiloxane‐encapsulated CuNW@G aerogels show an enhanced response and higher reversibility. A general and scalable strategy for developing aerogel‐typed piezoresistive pressure sensors with stable performance and low cost is presented.
A Structured Design for Highly Stretchable Electronic Skin
Authors: Zhao Jinsheng , Zhang Can , Zou Dan , Liu Xiaokun , Cai Lixun , Li Xiangyu , Shi Mingxing 
Published: August 2019

AbstractThe sensation of pressure is at the core of haptics, and can be achieved by pressure sensors in an electronic skin. Although a number of multifunctional sensors can be fabricated by adopting diverse microstructures and functional materials, achieving electronic skin with superior sensing capabilities under large‐scale deformations is challenging. A highly stretchable electronic skin based on a structured design is proposed and fabricated. It exhibits stable response and long‐term durability in sensing pressure due to improved strain isolation and restrained interfacial failure, in situations nearly regardless of what large‐scale deformations the electronic skins may undergo, such as stretching, bending, or even twisting. Experimental studies and finite element analyses show that their mechanical properties allow these electronic skins to function during large motions including bending states of fingers and wrists. The advanced development of electronic skin demonstrates potential applications in intelligent robots, bionic prostheses, health monitoring, human–machine interfaces, and other fields.
An Imperceptible Magnetic Skin
Authors: Almansouri Abdullah S. , Alsharif Nouf A. , Khan Mohammed A. , Swanepoel Liam , Kaidarova Altynay , Salama Khaled N. , Kosel Jurgen 
Published: August 2019

AbstractFlexible and wearable magnetoelectronics add intriguing new functionalities to natural perception. Of particular interest regarding these artificial skins are wireless sensing and touchless interactions. Biocompatibility and imperceptibility are the most significant features of devices attached to the bodies. A biocompatible magnetic skin is introduced. It offers extreme flexibility, stretchability (>300%), and is lightweight, while maintaining a remanent magnetization up to 360 mT. It is comfortable to wear, can be realized in any desired shape or color, and adds tunable permanent magnetic properties to the surface it is applied to. It provides remote control functions and is combined with magnetic sensors; it implements a complete wearable magnetic system. For example, eye tracking is realized by attaching the magnetic skin to the eyelid. The advantage that it does not require any wiring makes it an extremely viable solution for soft robotics and human–machine interactions. Wearing the magnetic skin on a finger or integrated into a glove allows for remote gesture control. This type of application opens the door to new control concepts, relevant for people with disabilities, sterile environments, or the consumer industry.
Direct Synthesis of Dihydropyrrolo[2,1‐a]Isoquinolines through FeCl3 Promoted Oxidative Aromatization
Authors: Cui Hai‐Lei , Jiang Lu , Tan Hao , Liu Si 
Published: August 2019

AbstractWe have developed a straightforward FeCl3 promoted synthesis of dihydropyrrolo[2,1‐a]isoquinolines through formal (3+2) cycloaddition/oxidative aromatization cascade of dihydroisoquinoline with Morita‐Baylis‐Hillman carbonates (up to 96% yield). Further modifications of the obtained products were successful through simple chemical transformations providing a diverse range of natural product‐like molecules (12 examples).magnified image
Transferrin‐Coated Nanodiamond–Drug Conjugates for Milliwatt Photothermal Applications
Authors: Harvey Sean , Raabe Marco , Ermakova Anna , Wu Yingke , Zapata Todd , Chen Chaojian , Lu Hao , Jelezko Fedor , Ng David Y. W. , Weil Tanja 
Published: August 2019

AbstractFluorescent nanodiamonds (fNDs) are unique carbon‐based nanomaterials due to their outstanding optical and magnetic properties. However, realization of the full potential of fNDs is often limited by their processability because fNDs aggregate strongly in both organic and aqueous solutions. Therefore, robust and potentially universal coating strategies are urgently needed to address these limitations. Derived from mussel foot proteins, the polymerization of l‐3,4‐dihydroxyphenylalanine (l‐DOPA) provides important surface functional groups including amines, carboxylic acid, alcohols, and conjugated Michael acceptors. Herein, l‐DOPA is polymerized on fNDs with a high control over the shell thickness. Photoluminescence and optically detected magnetic resonance studies reveal that the unique photophysical properties of fNDs are preserved after thin poly(l‐DOPA) film coating. Subsequently, conjugation of transferrin, a heme protein that provides efficient receptor‐specific cellular transport, improves the colloidal stability and cellular uptake of the poly(l‐DOPA)‐coated fNDs. The loading of FDA‐approved indocyanine green as a photothermal agent yields an integrated biohybrid material exhibiting an amplified photothermal effect in cells at very low energy intake (≈90 mW cm−2).
Bladder Cancer Photodynamic Therapeutic Agent with Off‐On Magnetic Resonance Imaging Enhancement
Authors: Xie Chen , Chau Ho‐Fai , Zhang Jing‐Xiang , Tong Sheng , Jiang Lijun , Fok Wan‐Yiu , Lung Hong‐Lok , Zha Shuai , Zou Rui , Jiao Ju , Ng Chi‐Fai , Ma Ping'an , Zhang Junhui , Lin Jun , Shiu Kwok Keung , Bünzli Jean‐Claude G. , Wong Wai‐Kwok , Long Nicholas J. , Law Ga‐Lai , Wong Ka‐Leung 
Published: August 2019

AbstractActing as an extracellular matrix protein receptor, αVβ3 integrin becomes an appealing target for photodynamic therapy of bladder cancer. Here, specific αVβ3‐integrin‐targeting porphyrinato‐gadolinium complexes (Gd‐PEG‐Rn) are demonstrated as off‐on theranostic agents, where Rn are specific peptides. Among them, Gd‐PEG‐R3 shows both impressive phototherapeutic index and robust in vivo magnetic resonance imaging (MRI) signal enhancement. Significant selectivity of Gd‐PEG‐R3 is proven by its high αVβ3 integrin binding affinity in positive bladder cancer cells. All these findings support Gd‐PEG‐R3 as a promising bi‐functional medical agent with both MRI contrasting ability and photodynamic therapeutic potential for curing bladder cancer.
Computationally Assisted Assessment of the Metal‐Organic Framework/Polymer Compatibility in Composites Integrating a Rigid Polymer
Authors: Tavares Sergio Rodrigues , Ramsahye Naseem Ahmed , Adil Karim , Eddaoudi Mohamed , Maurin Guillaume , Semino Rocio 
Published: August 2019

AbstractDensity functional theory (DFT) calculations and subsequent classical molecular dynamics (MD) simulations are combined to build and further characterize the interface structure of three binary metal‐organic framework (MOF)/polymer composite materials made of ultra‐small pore MOFs with distinct surface morphologies, namely, MIL‐69, ftw‐MOF‐ABTC, and ftw‐MOF‐BPTC, and the 6‐FDA‐DAM polymer. It is found that the three composites exhibit percolated or independent microvoids of different degrees of interconnectivity, sizes, and positions at the MOF/polymer interface that contribute to decrease the polymer surface coverage, a signature of a relatively poor adhesion between the two components. The ftw‐MOF‐BPTC‐based composite, however, shows a partial penetration of the polymer in the MOF first pore layer, hinting a slightly higher affinity between the MOF and the polymer. These results suggest that even when considering MOFs surfaces with drastically different morphologies, finding a highly compatible MOF/polymer pair for rigid polymers remains challenging.
Direct Simulation of Ternary Mixture Separation in a ZIF‐8 Membrane at Molecular Scale
Authors: Namsani Sadanandam , Ozcan Aydin , Yazaydın A. Özgür 
Published: August 2019

AbstractSeparation of H2 in a ZIF‐8 membrane from a syngas mixture composed of CO2, H2, and N2 at 300 K and 35 atm is simulated with the concentration gradient driven molecular dynamics (CGD‐MD) method. Steady‐state fluxes are computed to predict the H2 selectivity of the ZIF‐8 membrane using four different flexible force fields developed for ZIF‐8. The permselectivities predicted by the CGD‐MD method are compared with those obtained from the grand canonical Monte Carlo+equilibrium molecular dynamics (GCMC+EMD) approach, which is based on the solution‐diffusion model and widely used to predict permselectivities for mixture separations. The permselectivities obtained by using the CGD‐MD method accurately predict that ZIF‐8 is H2 selective over CO2 and N2. On the other hand, permselectivities predicted with the GCMC+EMD approach are found to be incorrect, that is, ZIF‐8 not selective for H2. The study suggests that a reliable non‐equilibrium molecular dynamics approach should be employed in order to obtain accurate predictions for the permselectivity of a membrane for a multicomponent mixture separation process which happens at moderate or high pressure conditions.
Engineering Lateral Heterojunction of Selenium‐Coated Tellurium Nanomaterials toward Highly Efficient Solar Desalination
Authors: Xing Chenyang , Huang Dazhou , Chen Shiyou , Huang Qichen , Zhou Chuanhong , Peng Zhengchun , Li Jiagen , Zhu Xi , Liu Yizhen , Liu Zhipeng , Chen Houkai , Zhao Jinlai , Li Jiangqing , Liu Liping , Cheng Faliang , Fan Dianyuan , Zhang Han 
Published: August 2019

AbstractHerein, a core–shell tellurium–selenium (Te–Se) nanomaterial with polymer‐tailed and lateral heterojunction structures is developed as a photothermal absorber in a bionic solar‐evaporation system. It is further revealed that the amorphous Se shell surrounds the crystalline Te core, which not only protects the Te phase from oxidation but also serves as a natural barrier to life entities. The core (Te)–shell (Se) configuration thus exhibits robust stability enhanced by 0.05 eV per Se atom and excellent biocompatibility. Furthermore, high energy efficiencies of 90.71 ± 0.37% and 86.14 ± 1.02% and evaporation rates of 12.88 ± 0.052 and 1.323 ± 0.015 kg m−2 h−1 are obtained under 10 and 1 sun for simulated seawater, respectively. Importantly, no salting out is observed in salt solutions, and the collected water under natural light irradiation possesses extremely low ion concentrations of Na+, K+, Ca2+, and Mg2+ relative to real seawater. Considering the tunable electronic structures, biocompatibilities, and modifiable broadband absorption of the solar spectrum of lateral heterojunction nanomaterials of Te–Se, the way is paved to engineering 2D semiconductor materials with supporting 3D porous hydrophilic materials for application in solar desalination, wastewater treatment, and biomedical ventures.
Fabrication of Efficient and Stable CsPbI3 Perovskite Solar Cells through Cation Exchange Process
Authors: Lau Cho Fai Jonathan , Wang Zhiping , Sakai Nobuya , Zheng Jianghui , Liao Chwen Haw , Green Martin , Huang Shujuan , Snaith Henry J. , Ho‐Baillie Anita 
Published: August 2019

AbstractInorganic lead halide perovskites have attracted attention due to their tolerance to higher processing temperature and higher bandgap suitable for tandem solar cell application. Not only do they improve cell stability and efficiency, they also reveal many interesting and un‐anticipated material qualities. This work reports a simple cation exchange growth (CEG) method for fabricating inorganic high‐quality cesium lead iodide (CsPbI3) by adding methylammonium iodide (MAI) additive in the precursor. X‐ray diffraction results reveal a multi‐stage film formation process whereby i) MAPbI3 perovskite first formed that acts as a perovskite template for ii) subsequent ion exchange whereby the MA+ ions in the MAPbI3 are replaced by Cs+ (as temperature ramps up) and iii) form g‐phase perovskite CsPbI3. Optical microscopy, photoluminescence, and electrical characterizations reveal that the CEG process produces high‐quality film with better absorption, uniform and dense film with better interface, lower defects, and better stability. Using the CEG approach, the power conversion efficiency of the best CsPbI3 solar cell is significantly increased up to 14.1% for the device fabricated using 1.0 m MAI additive. The outcome is beneficial for further improvement of inorganic perovskite solar cells and their application in perovskite‐silicon tandem devices.
Bandgap Engineering Enhances the Performance of Mixed‐Cation Perovskite Materials for Indoor Photovoltaic Applications
Authors: Wu Ming‐Ju , Kuo Chien‐Chen , Jhuang Lu‐Syuan , Chen Po‐Han , Lai Yi‐Fong , Chen Fang‐Chung 
Published: August 2019

AbstractIndoor photovoltaics (IPVs) are attracting renewed interest because they can provide sustainable energy through the recycling of photon energy from household lighting facilities. Herein, the Shockley–Queisser model is used to calculate the upper limits of the power conversion efficiencies (PCEs) of perovskite solar cells (PeSCs) for two types of artificial light sources: fluorescent tubes (FTs) and white light–emitting diodes (WLEDs). An unusual zone is found in which the dependence of the PCEs on the bandgap (Eg) under illumination from the indoor lighting sources follows trends different from that under solar irradiation. In other words, IPVs exhibiting high performance under solar irradiation may not perform well under indoor lighting conditions. Furthermore, the ideal bandgap energy for harvesting photonic power from these indoor lighting sources is ≈1.9 eV—a value higher than that of common perovskite materials (e.g., for CH3NH3PbI3). Accordingly, Br− ions are added into the perovskite films to increase their values of Eg. A resulting PeSC featuring a wider bandgap exhibits PCEs of 25.94% and 25.12% under illumination from an FT and a WLED, respectively. Additionally, large‐area (4 cm2) devices are prepared for which the PCE reaches ≈18% under indoor lighting conditions.
Refilling Nitrogen to Oxygen Vacancies in Ultrafine Tungsten Oxide Clusters for Superior Lithium Storage
Authors: Cui Yanglansen , Xiao Kefeng , Bedford Nicholas M. , Lu Xinxin , Yun Jimmy , Amal Rose , Wang Da‐Wei 
Published: August 2019

AbstractMorphological engineering of nanosized transitional metal oxides shows great promise for performance improvement, yet limited efforts have been attempted to engineer the atomic structure. Oxygen vacancy (VO) can boost charge transfer leading to enhanced performance; yet excessive VO may impair the conductivity. Herein, tungsten oxide is atomically tailored by incorporating nitrogen heteroatoms into the oxygen vacancies. The efficient nitrogen‐filling into the oxygen vacancies is evidenced by the electron paramagnetic resonance spectroscopy and X‐ray absorption spectroscopy. The coordinated N atoms play a crucial role in facilitating the charge transfer and maintaining efficient lithium‐ion diffusion. Consequently, the tungsten oxide with N‐filled oxygen vacancies exhibits superior lithium‐ion storage performance.
Sarcopenia discriminates poor prognosis in elderly patients following emergency surgery for perforation panperitonitis
Authors: Kubo Nobuhide , Kawanaka Hirohumi , Hiroshige Shoji , Tajiri Hirotada , Egashira Akinori , Takeuchi Hideya , Matsumoto Toshifumi , Oki Eiji , Yano Tokujiro 
Published: August 2019

AbstractAimSarcopenia has been reported as a prognostic predictor in various conditions; however, it has not been examined in patients with perforation panperitonitis.MethodsA total of 103 consecutive patients with perforation panperitonitis who underwent emergency surgery from 2008 to 2016 were retrospectively evaluated. Skeletal muscle index (SMI) was measured as the cross‐sectional area (cm2) of skeletal muscle in the L3 region on computed tomography images normalized for height (cm2/m2). Sarcopenia was defined as an SMI of ≤43.75 and ≤41.10 cm2/m2 in men and women, respectively. The impact of sarcopenia on postoperative outcomes was investigated.ResultsSarcopenia was present in 50 (48.5%) patients. Severe complications (Clavien‐Dindo grade ≥IIIb) and in‐hospital mortality were more frequently observed in patients with than without sarcopenia (28.0% vs 9.4%, P = .015) (20.0% vs 5.7%, P = .029) respectively. Multivariate analysis showed that age, sarcopenia, and renal dysfunction were independent risk factors for severe complications and in‐hospital mortality. The optimal cut‐off levels of age and SMI for predicting these were ≥79 years and SMI <38 cm2/m2, respectively. Among the patients aged ≥79 years, those with SMI <38 cm2/m2 had a severe complication rate of 71% and an in‐hospital mortality rate of 57%, whereas the rate of those with SMI ≥38 cm2/m2 was 22% (P = .011) and 11% (P = .008), respectively.ConclusionSarcopenia is a predictive factor of severe complications and in‐hospital mortality following emergency surgery for perforation panperitonitis, especially in elderly patients. Estimation of sarcopenia may identify patients eligible or not eligible for emergency surgery among elderly patients.
Hydrogenation reactions catalyzed by colloidal palladium nanoparticles under flow regime
Authors: Reina Antonio , Favier Isabelle , Teuma Emmanuelle , Gómez Montserrat , Conte Annelyse , Pichon Laurent 
Published: August 2019

AbstractA glycerol colloidal solution of palladium nanoparticles stabilized by PVP (PdPVP, mean diameter of 2.2 ± 0.8 × 10−9 m) was employed under flow conditions for hydrogenation reactions. After optimization, we selected the tube‐in‐tube flow reactor as the more suitable system for this catalytic process due to its ability to regulate the addition of hydrogen. PdPVP nanoparticles were synthesized and fully characterized ((HR)‐TEM, PXRD, EA, and ICP) both in glycerol solution and at solid state. The reduction of different substrates, including nitrobenzene, 4‐phenylbut‐3‐en‐2‐one, and isophorone, was achieved under relatively smooth conditions (5–7 × 105 Pa of H2) in short times (<600 s). Unfortunately, the reduction of 1‐dodecene was not possible due to the faster isomerization reaction. The optimal effusion of hydrogen in the colloidal phase together with the catalytic efficiency of this system is noteworthy.
Molecular Spin Crossover Materials: Review of the Lattice Dynamical Properties
Authors: Molnár Gábor , Mikolasek Mirko , Ridier Karl , Fahs Alaa , Nicolazzi William , Bousseksou Azzedine 
Published: August 2019

AbstractThe lattice dynamical aspects of the spin crossover phenomenon in molecular solids—displaying intricate couplings between the electronic spin state of the molecules and the lattice properties—are reviewed. Emphasis is on experimental and theoretical approaches giving access to the vibrational spectra and to key properties, such as the heat capacity, vibrational entropy and enthalpy, lattice rigidity, elastic constants, and elastic interactions. Recent results in relation to surface and finite size effects as well as with ultrafast out‐of‐equilibrium phenomena are also covered.
Enantioselective Dicarbofunctionalization of Unactivated Alkenes by Palladium‐Catalyzed Tandem Heck/Suzuki Coupling Reaction
Authors: Zhang Zhan‐Ming , Xu Bing , Wu Lizuo , Wu Yuanqi , Qian Yanyan , Zhou Lujia , Liu Yu , Zhang Junliang 
Published: August 2019

AbstractA highly enantioselective dicarbofunctionalization of unactivated alkenes was implemented by a Pd‐catalyzed asymmetric tandem Heck/Suzuki coupling reaction. This reaction represents the first example of a highly enantioselective intramolecular cyclization/cross‐coupling of olefin‐tethered aryl halides with alkyl‐, alkenyl‐ or arylboronic acids, and provides rapid access to a number of chiral compounds, such as dihydrobenzofurans, indolines, chromanes, and indanes bearing a quaternary stereocenter, in good yields with excellent enantioselectivities. The practicality of this reaction was validated in the modification of biologically complex molecules such as peptides, piperitol, CB2 receptor agonists, etc. Moreover, the synthesis of two enantiomers can be easily realized by simple change in the order of the steps in the coupling sequence.
Zinc Substitution of Cobalt in Vitamin B12: Zincobyric acid and Zincobalamin as Luminescent Structural B12‐Mimics
Authors: Kieninger Christoph , Baker Joseph A. , Podewitz Maren , Wurst Klaus , Jockusch Steffen , Lawrence Andrew D. , Deery Evelyne , Gruber Karl , Liedl Klaus R. , Warren Martin J. , Kräutler Bernhard 
Published: August 2019

AbstractReplacing the central cobalt ion of vitamin B12 by other metals has been a long‐held aspiration within the B12‐field. Herein, we describe the synthesis from hydrogenobyric acid of zincobyric acid (Znby) and zincobalamin (Znbl), the Zn‐analogues of the natural cobalt‐corrins cobyric acid and vitamin B12, respectively. The solution structures of Znby and Znbl were studied by NMR‐spectroscopy. Single crystals of Znby were produced, providing the first X‐ray crystallographic structure of a zinc corrin. The structures of Znby and of computationally generated Znbl were found to resemble the corresponding CoII‐corrins, making such Zn‐corrins potentially useful for investigations of B12‐dependent processes. The singlet excited state of Znby had a short life‐time, limited by rapid intersystem crossing to the triplet state. Znby allowed the unprecedented observation of a corrin triplet (ET=190 kJ mol−1) and was found to be an excellent photo‐sensitizer for 1O2 (ΦΔ=0.70).