bluuebunny/crossref_metadata_2025 huggingface dataset:
Emerging Functional Porous Polymeric and Carbonaceous Materials for Environmental Treatment and Energy Storage
Authors: Zheng Bingna , Lin Xidong , Zhang Xingcai , Wu Dingcai , Matyjaszewski Krzysztof
Published: November 2019

The demand for practical and cost‐effective environmental treatment and energy storage materials is exploding. Porous polymeric and carbonaceous materials have attracted tremendous interest on account of their well‐developed porosity and tunable surface chemistry. Functionalization of pore structures further enhances their properties for environmental treatment and energy storage. Herein, the procedures for functionalization of porous structures are introduced, including predesign and postsynthetic strategies. Subsequently, the important advancements of emerging porous polymers for environmental treatment in sorption (e.g., organic micropollutant adsorption, heavy metal ion removal, radionuclide extraction, and oil absorption) and membrane separation (e.g., aqueous micropollutant separation, organic solvent nanofiltration, desalination and pervaporation), as well as for energy storage ranging from the electrodes and separators of batteries to supercapacitor electrodes are highlighted. Moreover, given the combined merits of high intrinsic conductivity, porosity, and physicochemical stability, novel polymer‐based porous carbons for energy storage are also highlighted. Key functionalization chemistry for each application is discussed and an in‐depth understanding of the structure–property relationships of these functional porous materials is provided. Finally, the challenges and perspectives of emerging functional porous polymeric and carbonaceous materials for environmental treatment and energy storage are proposed.
High‐Performance Quantum‐Dot Light‐Emitting Diodes Using NiOx Hole‐Injection Layers with a High and Stable Work Function
Authors: Lin Jian , Dai Xingliang , Liang Xiaoyong , Chen Desui , Zheng Xuerong , Li Yifei , Deng Yunzhou , Du Hui , Ye Yuxun , Chen Dong , Lin Chen , Ma Luying , Bao Qinye , Zhang Haibing , Wang Linjun , Peng Xiaogang , Jin Yizheng
Published: November 2019

Solution‐processed oxide thin films are actively pursued as hole‐injection layers (HILs) in quantum‐dot light‐emitting diodes (QLEDs), aiming to improve operational stability. However, device performance is largely limited by inefficient hole injection at the interfaces of the oxide HILs and high‐ionization‐potential organic hole‐transporting layers. Solution‐processed NiOx films with a high and stable work function of ≈5.7 eV achieved by a simple and facile surface‐modification strategy are presented. QLEDs based on the surface‐modified NiOx HILs show driving voltages of 2.1 and 3.3 V to reach 1000 and 10 000 cd m−2, respectively, both of which are the lowest among all solution‐processed LEDs and vacuum‐deposited OLEDs. The device exhibits a T95 operational lifetime of ≈2500 h at an initial brightness of 1000 cd m−2, meeting the commercialization requirements for display applications. The results highlight the potential of solution‐processed oxide HILs for achieving efficient‐driven and long‐lifetime QLEDs.
Sustainable Membrane Production through Polyelectrolyte Complexation Induced Aqueous Phase Separation
Authors: Baig Muhammad Irshad , Durmaz Elif Nur , Willott Joshua D. , de Vos Wiebe M.
Published: November 2019

Nonsolvent induced phase separation (NIPS) is the most common approach to produce polymeric membranes. Unfortunately, NIPS relies heavily on aprotic organic solvents like N‐methyl‐pyrrolidone. These solvents are unsustainable, repro‐toxic for humans and are therefore becoming increasingly restricted within the European Union. A new and sustainable method, aqueous phase separation (APS), is reported that eliminates the use of organic solvents. A homogeneous solution of two polyelectrolytes, the strong polyanion poly(sodium 4‐styrenesulfonate) (PSS) and the weak polycation poly(allylamine hydrochloride) (PAH), is prepared at high pH, where PAH is uncharged. Immersing a film of this solution in a low pH bath charges the PAH and results in a controlled precipitation, forming a porous water‐insoluble polyelectrolyte complex, a membrane. Pore sizes can be tuned from micrometers to just a few nanometers, and even to dense films, simply by tuning the polyelectrolyte concentrations, molecular weights, and by changing the salinity of the bath. This leads to excellent examples of microfiltration, ultrafiltration, and nanofiltration membranes. Polyelectrolyte complexation induced APS is a viable and sustainable approach to membrane production that provides excellent control over membrane properties and even allows new types of separations.
Self‐Assembling of Conductive Interlayer‐Expanded WS2 Nanosheets into 3D Hollow Hierarchical Microflower Bud Hybrids for Fast and Stable Sodium Storage
Authors: Hu Xiang , Liu Yangjie , Li Junwei , Wang Genxiang , Chen Junxiang , Zhong Guobao , Zhan Hongbing , Wen Zhenhai
Published: November 2019

Transition‐metal dichalcogenides have emerged as promising anodes of sodium ion batteries (SIBs). Their practical SIB application calls for an easy‐to‐handle synthetic technique capable of fabricating favorable properties with high conductivity and stable structure. Here, a solvothermal strategy is reported for bottom‐up self‐assembling of nanoflowers' building block, i.e., conductive interlayer‐expanded 2D WS2 nanosheets thanks to in situ interlayer modification by nitrogen‐doped carbon matrix, into 3D hollow microflower bud‐like hybrids (H‐WS2@NC). The 3D nano/microhierarchical hollow structures are constructed by conductive interlayer‐expanded WS2 nanosheets' building blocks, providing abundant channels facilitating mass transport/electrons transfer, robust protection layer to avoid the direct contact between WS2 nanosheets and electrolyte, sufficient inner space for accommodating volume variation, and decreased ions diffusion energy barrier for accelerating electrochemical kinetics, as revealed by density functional theory calculations. As such, the 3D H‐WS2@NC hybrids exhibit quite attractive sodium storage performance with high reversible capacity, superior rate capability, and impressively long cycling life. The 3D H‐WS2@NC is further verified as anode of sodium‐ion full cell pairing with Na3V2(PO4)3/rGO cathode, delivering a stable reversible capacity of 296 mAh g−1 at 0.5 A g−1 with high energy density of 128 Wh kg−1total at a power density of 386 W kg−1total.
Spatial Collection in Colloidal Quantum Dot Solar Cells
Authors: Ouellette Olivier , Lesage‐Landry Antoine , Scheffel Benjamin , Hoogland Sjoerd , García de Arquer F. Pelayo , Sargent Edward H.
Published: November 2019

In thin‐film photovoltaic (PV) research and development, it is of interest to determine where the chief losses are occurring within the active layer. Herein, a method is developed and presented by which the spatial distribution of charge collection, operando, is ascertained, and its application in colloidal quantum dot (CQD) solar cells is demonstrated at a wide range of relevant bias conditions. A systematic computational method that relies only on knowledge of measured optical parameters and bias‐dependent external quantum efficiency spectra is implemented. It is found that, in CQD PV devices, the region near the thiol‐treated hole‐transport layer suffers from low collection efficiency, as a result of bad band alignment at this interface. The active layer is not fully depleted at short‐circuit conditions, and this accounts for the limited short‐circuit current of these CQD solar cells. The high collection efficiency outside of the depleted region agrees with a diffusion length on the order of hundreds of nanometers. The method provides a quantitative tool to study the operating principles and the physical origins of losses in CQD solar cells, and can be deployed in thin‐film solar cell device architectures based on perovskites, organics, CQDs, and combinations of these materials.
Visual Appearance of Chiral Nematic Cellulose‐Based Photonic Films: Angular and Polarization Independent Color Response with a Twist
Authors: Chan Chun Lam Clement , Bay Mélanie M. , Jacucci Gianni , Vadrucci Roberto , Williams Cyan A. , van de Kerkhof Gea T. , Parker Richard M. , Vynck Kevin , Frka‐Petesic Bruno , Vignolini Silvia
Published: November 2019

Hydroxypropyl cellulose (HPC) is a biocompatible cellulose derivative capable of self‐assembling into a lyotropic chiral nematic phase in aqueous solution. This liquid crystalline phase reflects right‐handed circular polarized light of a specific color as a function of the HPC weight fraction. Here, it is demonstrated that, by introducing a crosslinking agent, it is possible to drastically alter the visual appearance of the HPC mesophase in terms of the reflected color, the scattering distribution, and the polarization response, resulting in an exceptional matte appearance in solid‐state films. By exploiting the interplay between order and disorder, a robust and simple methodology toward the preparation of polarization and angular independent color is developed, which constitutes an important step toward the development of real‐world photonic colorants.
Ternary Organic Solar Cells with Efficiency >16.5% Based on Two Compatible Nonfullerene Acceptors
Authors: Song Jiali , Li Chao , Zhu Lei , Guo Jing , Xu Jinqiu , Zhang Xuning , Weng Kangkang , Zhang Kangning , Min Jie , Hao Xiaotao , Zhang Yuan , Liu Feng , Sun Yanming
Published: November 2019

A ternary structure has been demonstrated as being an effective strategy to realize high power conversion efficiency (PCE) in organic solar cells (OSCs); however, general materials selection rules still remain incompletely understood. In this work, two nonfullerene small‐molecule acceptors 3TP3T‐4F and 3TP3T‐IC are synthesized and incorporated as a third component in PM6:Y6 binary blends. The photovoltaic behaviors in the resultant ternary OSCs differ significantly, despite the comparable energy levels. It is found that incorporation of 15% 3TP3T‐4F into the PM6:Y6 blend results in facilitating exciton dissociation, increasing charge transport, and reducing trap‐assisted recombination. All these features are responsible for the enlarged PCE of 16.7% (certified as 16.2%) in the PM6:Y6:3TP3T‐4F ternary OSCs, higher than that (15.6%) in the 3TP3T‐IC containing ternary devices. The performance differences are mainly ascribed to the compatibility between the third component and the host materials. The 3TP3T‐4F guest acceptor exhibits an excellent compatibility with Y6, tending to form well‐mixed phases in the ternary blend without disrupting the favored bicontinuous transport networks, whereas 3TP3T‐IC displays a morphological incompatibility with Y6. This work highlights the importance of considering the compatibility for materials selection toward high‐efficiency ternary organic OSCs.
Surface‐2D/Bulk‐3D Heterophased Perovskite Nanograins for Long‐Term‐Stable Light‐Emitting Diodes
Authors: Han Tae‐Hee , Lee Jin‐Wook , Choi Yung Ji , Choi Chungseok , Tan Shaun , Lee Sung‐Joon , Zhao Yepin , Huang Yu , Kim Dongho , Yang Yang
Published: November 2019

Although metal halide perovskite (MHP) light‐emitting diodes (LEDs) have demonstrated great potential in terms of electroluminescence efficiency, the operational stability of MHP LEDs currently remains the biggest bottleneck toward their practical usage. Well‐confined excitons/charge carriers in a dielectric/quantum well based on conventional spatial or potential confinement approaches substantially enhance radiative recombination in MHPs, but an increased surface‐to‐volume ratio and multiphase interfaces likely result in a high degree of surface or interface defect states, which brings about a critical environmentally/operationally vulnerable point on LED stability. Here, an effective solution is suggested to mitigate such drawbacks using strategically designed surface‐2D/bulk‐3D heterophased MHP nanograins for long‐term‐stable LEDs. The 2D surface‐functionalized MHP renders significantly reduced trap density, environmental stability, and an ion‐migration‐immune surface in addition to a fast radiative recombination owing to its spatially and potentially confined charge carriers, simultaneously. As a result, heterophased MHP LEDs show substantial improvement in operational lifetime (T50: >200 h) compared to conventional pure 3D or quasi‐2D counterparts (T50: < 0.2 h) as well as electroluminescence efficiency (surface‐2D/bulk‐3D: ≈7.70 ph per el% and pure 3D: ≈0.46 ph per el%).
Interfacial Engineering of W2N/WC Heterostructures Derived from Solid‐State Synthesis: A Highly Efficient Trifunctional Electrocatalyst for ORR, OER, and HER
Authors: Diao Jinxiang , Qiu Yu , Liu Shuangquan , Wang Weitao , Chen Kai , Li Hailong , Yuan Wenyu , Qu Yunteng , Guo Xiaohui
Published: November 2019

To meet the practical demand of overall water splitting and regenerative metal–air batteries, highly efficient, low‐cost, and durable electrocatalysts for the oxygen reduction reaction (ORR), oxygen evolution reaction (OER), and hydrogen evolution reaction (HER) are required to displace noble metal catalysts. In this work, a facile solid‐state synthesis strategy is developed to construct the interfacial engineering of W2N/WC heterostructures, in which abundant interfaces are formed. Under high temperature (800 °C), volatile CNx species from dicyanodiamide are trapped by WO3 nanorods, followed by simultaneous nitridation and carbonization, to form W2N/WC heterostructure catalysts. The resultant W2N/WC heterostructure catalysts exhibit an efficient and stable electrocatalytic performance toward the ORR, OER, and HER, including a half‐wave potential of 0.81 V (ORR) and a low overpotential at 10 mA cm−2 for the OER (320 mV) and HER (148.5 mV). Furthermore, a W2N/WC‐based Zn–air battery shows outstanding high power density (172 mW cm−2). Density functional theory and X‐ray absorption fine structure analysis computations reveal that W2N/WC interfaces synergistically facilitate transport and separation of charge, thus accelerating the electrochemical ORR, OER, and HER. This work paves a novel avenue for constructing efficient and low‐cost electrocatalysts for electrochemical energy devices.
Plasmonic Color Laser Printing inside Transparent Gold Nanodisk‐Embedded Poly(dimethylsiloxane) Matrices
Authors: Cui Ximin , Zhu Xiaolong , Shao Lei , Wang Jianfang , Kristensen Anders
Published: November 2019

Plasmonic color generation from metal nanostructures has attracted intensive attention because of their excellence in achieving high spatial resolution, strong color contrast, and long‐term durability. The limited area of plasmonic patterns anchored on substrates and produced by current top‐down methods, however, severely restricts the advanced developments and potential applications in structural color display. Herein a robust method for realizing the laser printing of plasmonic colors inside transparent gold nanodisk‐embedded poly(dimethylsiloxane) matrices is presented. It is found that various colors can not only be easily generated by embedding gold nanodisks of different sizes, but also finely varied by adjusting the laser pulse intensity during printing. It is further demonstrated that multiple color layers can be laser‐printed at different depths. Stereoscopic images in the 3D matrices are laser‐printed with sizes as large as 12 × 15 mm2 and a resolution of 4600 dots per inch.
Appropriate Nonlocal Hydrodynamic Models for the Characterization of Deep‐Nanometer Scale Plasmonic Scatterers
Authors: Kupresak Mario , Zheng Xuezhi , Vandenbosch Guy A. E. , Moshchalkov Victor V.
Published: November 2019

The interaction between light and plasmonic systems with deep‐nanometer characteristics, which is essentially governed by quantum mechanical effects, has been extensively studied by the nonlocal hydrodynamic approach. Several hydrodynamic models, supplemented by additional boundary conditions, have been introduced in order to describe the collective motion of the free electron gas in metals. Four hydrodynamic models, namely the hard wall hydrodynamic model (HW‐HDM), the curl‐free hydrodynamic model, the shear forces hydrodynamic model, and the quantum hydrodynamic model (Q‐HDM), are thoroughly investigated. The investigation studies the mode structure (the natural modes or, in quantum optics, the quasi‐normal modes) of the spherical core–shell topology, which is complemented by the plane wave response from the system. The results of the above hydrodynamic models are also compared with those of the specular reflection method. It is demonstrated that the choice of a particular hydrodynamic model strongly affects the natural frequencies and modes in the mode structure of the topology and thus drastically modifies the simulated fields in the near and far regions. Contrary to HW‐HDM and Q‐HDM, the other two hydrodynamic models fail to predict the particles’ response accurately, showing artifactual mode hybridization.
Glass Transition and Crystallization in Hexagonal Boron Nitride: Crucial Role of Orientational Order
Authors: Ravinder R. , Garg Prateet , Krishnan N. M. Anoop
Published: November 2019

While extensive studies have been carried out on 2D crystals, their disordered counterpart, namely 2D glasses, remain poorly explored. Using molecular dynamics simulation, it is demonstrated that hexagonal boron nitride (h‐BN) can exhibit crystallization and glass transition. Similar to archetypical glasses, it is observed that the glassy structures are disordered, marked by the absence of any long‐range order while exhibiting some short‐range order. Further, the structures obtained are stable in three dimensions, confirming the realistic nature of the 2D glasses. Interestingly, it is observed that the orientational order of the h‐BN structure with respect to density as well as ground state enthalpy follows a master curve for both crystallization and glass transition, revealing thermally accessible regions for the structure. Further, the standard deviation of orientational order provides information about the spatial heterogeneity in the structure, the rearrangement of which results in the formation of crystal/glass. This suggests that the orientational order may play a crucial role in controlling the propensity for crystallization/glass transition in systems having directional bonds.
All‐Optical Switchable Vanadium Dioxide Integrated Coding Metasurfaces for Wavefront and Polarization Manipulation of Terahertz Beams
Authors: Li Jie , Yang Yue , Li Jining , Zhang Yating , Zhang Zhang , Zhao Hongliang , Li Fuyu , Tang Tingting , Dai Haitao , Yao Jianquan
Published: November 2019

Electromagnetic metasurfaces are artificial 2D structures with sub‐wavelength size and have achieved a variety of functions. Coding metasurfaces or programmable metasurfaces are special phase‐manipulation type metasurfaces, which can be used for dynamic electromagnetic modulation and information processing in microwave band. However, programmable or tunable coding metasurfaces in terahertz band are still rare. All‐optical switchable coding metasurfaces based on vanadium dioxide (VO2) hybrid resonators are proposed for dynamic modulation of terahertz waves. The C‐shaped metal–VO2 hybrid resonators are switched from anisotropic structures to quasi‐isotropic ones due to insulator–metal transition of VO2, resulting in great attenuation of conversion efficiency for linearly polarized waves and Pancharatnam–Berry phase for circularly polarized waves. Based on this principle, several coding metasurfaces are shown for efficient and simultaneous switching of wavefront and polarization state of terahertz beams, including linearly and circularly polarized waves. It is worth mentioning that a new method for switchable shared‐aperture metasurfaces is also proposed, in which only a part of the unit cells are integrated with VO2 and tunable. This new scheme promotes the applications of terahertz coding metasurfaces such as high‐speed terahertz communication.
Application of the ESMACS Binding Free Energy Protocol to a Multi‐Binding Site Lactate Dehydogenase A Ligand Dataset
Authors: Wright David W. , Husseini Fouad , Wan Shunzhou , Meyer Christophe , van Vlijmen Herman , Tresadern Gary , Coveney Peter V.
Published: November 2019

Over the past two decades, the use of fragment‐based lead generation has become a common, mature approach to identify tractable starting points in chemical space for the drug discovery process. This approach naturally involves the study of the binding properties of highly heterogeneous ligands. Such datasets challenge computational techniques to provide comparable binding free energy estimates from different binding modes. The performance of a range of statistically robust ensemble‐based binding free energy calculation protocols, called ESMACS (enhanced sampling of molecular dynamics with approximation of continuum solvent), is evaluated. Ligands designed to target two binding pockets in the lactate dehydogenase, a target protein, which vary in size, charge, and binding mode, are studied. When compared to experimental results, excellent statistical rankings are obtained across this highly diverse set of ligands. In addition, three approaches to account for entropic contributions are investigated: 1) normal mode analysis, 2) weighted solvent accessible surface area (WSAS), and 3) variational entropy. Normal mode analysis and WSAS correlate strongly with each other—although the latter is computationally far cheaper—but do not improve rankings. Variational entropy corrects exaggerated discrimination of ligands bound in different pockets but creates three outliers which reduce the quality of the overall ranking.
Electrochemical Mechanics of Metal Thin Films: Charge‐Induced Reversible Surface Stress for Actuation
Authors: Cheng Chuan , Grant Patrick S. , Lührs Lukas
Published: November 2019

The intrinsic charge‐induced surface stress of Ni thin films during electrochemical reactions with an alkaline electrolyte is measured in situ. Surface stresses induced by H absorption/desorption, α‐Ni(OH)2 formation, capacitive double‐layer charging, the α‐ to β‐Ni(OH)2 transformation, and β‐Ni(OH)2/β‐NiOOH redox reactions are identified, and each provided additive contributions to the overall stress state. Surface stresses are magnified in high‐surface‐area nanoporous Ni because local stress‐relaxation mechanisms are restricted when compared to a smooth Ni film. Ni film reversible tensile/compressive surface stresses correlate with anodic/cathodic potential scanning but with an opposite trend to that of a less reactive Au film. Surface stresses in the Ni films are up to 40 times that of Au films and suggest the possibility of using controlled surface‐stress generation for electrochemical actuation.
The Role of Mineral Acid Doping of PEDOT:PSS and Its Application in Organic Photovoltaics
Authors: Zhang Lin , Yang Ke , Chen Rui , Zhou Yongli , Chen Shanshan , Zheng Yujie , Li Meng , Xu Chaohe , Tang Xiaosheng , Zang Zhigang , Sun Kuan
Published: November 2019

Poly(3,4‐ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) is one of the most successful conducting polymers in terms of commercialization. A method to readily obtain highly conductive and transparent PEDOT:PSS films is urgently needed. A simple method is introduced to enhance the conductivity of such films dramatically. By adding a series of mineral acids into the PEDOT:PSS aqueous solution directly, the conductivity is enhanced by 3–4 orders of magnitude. Mechanistic study reveals that the conductivity enhancement is dependent on boiling point, pKa value, softness parameter, and oxidability of the dopant acid. Specifically, acids with high boiling point, low pKa, and low softness parameter are able to induce phase separation between PEDOT and PSS, leading to secondary doping. If the dopant acid exhibits strong oxidability, the conductivity can also be enhanced via primary doping. H2SO4‐doped PEDOT:PSS films exhibit the highest conductivity of 2244 S cm−1. These films are employed as the transparent electrodes of poly(3‐hexylthiophene‐2,5‐diyl) (P3HT)‐based organic photovoltaic cells, and the power conversation efficiency reaches 3.13%. These results suggest direct acid doping of PEDOT:PSS solution is a facile approach to obtain highly flexible transparent electrodes.
Electrical Control of Perpendicular Magnetic Anisotropy and Spin‐Orbit Torque‐Induced Magnetization Switching
Authors: Huang Qikun , Dong Yanan , Zhao Xiaonan , Wang Jing , Chen Yanxue , Bai Lihui , Dai Ying , Dai Youyong , Yan Shishen , Tian Yufeng
Published: November 2019

Voltage‐driven oxygen ion migration in ferromagnetic metal/oxide heterostructures offers a highly effective means to tailor emergent interfacial functionalities. In heterojunctions with a core structure of Pt/Co/CoO/TiO2 (TaOx), it is demonstrated that exchange coupling of magnetic moments across the Co/CoO interface provides an extra source to stabilize the perpendicular magnetic anisotropy (PMA). Moreover, the strength of this interfacial coupling can be reversibly controlled through voltage‐driven oxygen ion migration at the Co/CoO interface, resulting in electrical‐field‐controllable PMA. In combination with the spin current generated from Pt, it is revealed that the spin‐orbit torque (SOT) switching of the perpendicular magnetization of Co can be turned ON/OFF by electrical field. Tunable PMA and SOT switching makes heavy metal/ferromagnetic metal/antiferromagnetic oxide heterojunctions a promising candidate to future voltage‐controlled, ultralow‐power, and high‐density spintronics devices.
Multifield‐Inspired Tunable Carrier Effects Based on Ferroelectric‐Silicon PN Heterojunction
Authors: Lou Jing , Ma Hua , Wang Jun , Yang Ruisheng , Dong Bowen , Yu Ying , Wang Jiafu , Zhang Fuli , Fan Yuancheng , Feng Mingde , Li Zhiqiang , Nan Cewen , Qu Shaobo
Published: November 2019

Tuning the carrier behavior in a heterostructure is important for designing well‐performing electro‐optical devices. Scientific research has mainly focused on 2D and layered materials due to their high carrier mobility. Ferroelectrics exhibit a strong response to external fields and are widely employed in microwave and terahertz (THz) tunable devices. By constructing a ferroelectric‐silicon PN heterojunction, a new strategy is proposed to construct a nonequilibrium carrier layer and achieve tunable carrier effects under multifield coupling. Theoretically, the formation of a carrier layer based on the interaction between free carriers and bound surface charges is analyzed, and a design method for PN heterojunction engineering is presented. Experimentally, a PN heterojunction of Ba0.7Sr0.3TiO3 thin film on silicon substrate is constructed, and three tunable carrier effects are achieved. A broadband tunable THz modulator with an amplitude modulation depth of 99.5% is realized, which is superior to other works. The volt–ampere effect of the PN heterojunction can be dynamically adjusted. The shape of the hysteresis loops can be dynamically controlled in real time. This proposed strategy for carrier modulation is a giant step forward in ferroelectrics applications and a path for the development of electro‐optical applications with new materials.
Effect of Cationic Interface Defects on Band Alignment and Contact Resistance in Metal/Oxide Heterojunctions
Authors: Andrä Michael , Funck Carsten , Raab Nicolas , Rose Marc‐André , Vorokhta Mykhailo , Dvorˇák Filip , Šmíd Brˇetislav , Matolín Vladimír , Mueller David N. , Dittmann Regina , Waser Rainer , Menzel Stephan , Gunkel Felix
Published: November 2019

Heterojunctions between high‐work‐function metals and metal oxides typically lead to Schottky‐type transport barriers resulting from charge transfer between the neighboring materials. These yield versatile electronic functionality exploited for current rectification, memristive behavior, or photocatalysis. Height, width, and shape of the interfacial transport barrier are strongly affected by charge screening via ionic defects, which are often extremely difficult to probe. The ionic nature of a variable contact resistance in heterojunctions between Nb‐doped SrTiO3 (Nb:SrTiO3) and platinum is explored. A control of cationic vacancy defects at the interface is achieved by different annealing procedures in oxidizing and reducing conditions before establishing Pt/Nb:SrTiO3 heterojunctions. Detailed analysis of electronic transport across the heterojunctions reveal significantly varied transport barriers resulting from the cationic defect structure at the interface. These findings are supported by conductive‐tip atomic force microscopy and in situ photoemission spectroscopy showing diminished conductivity of the Nb:SrTiO3 surface and the formation of an insulating surface skin layer after oxygenation. At high doping level, oxygen stoichiometry cannot explain the observed behavior. The increased transport barrier height is therefore linked to strontium vacancy defects. The tailored cation disorder yields access to the ionic control of electronic transport in functional oxide heterojunctions.
Electric‐Field‐Assisted Enhanced Electron Transfer to Boost Supercapacitor Negative Electrode Performance for a Fabricated Fe7S8/α‐FeOOH Nano‐Heterostructure
Authors: Zhang Dongbin , Kong Xianggui , Zhang Fazhi , Lei Xiaodong
Published: November 2019

The shortcoming of Fe‐based materials, their poor electron transfer efficiency, restricts their electrochemical performance severely. An electric field (E) is induced by an Fe7S8/α‐FeOOH nano‐heterostructure (SACF) via two simple immersion steps at room temperature. The charge transfer from α‐FeOOH to Fe7S8 spontaneously establishes an intrinsic electric field at the Fe7S8/α‐FeOOH nano‐heterostructure boundary. Additionally, the relationship between structure and property is investigated by structural characterization and density functional theory calculations that are used to explain the electron transfer mechanism and good wettability in KOH electrolyte. The results indicate that the electric field accelerates the electron transfer rate during charge/discharge process, provides the most of active materials (both Fe7S8 and α‐FeOOH) and facilitates the contact of active material with electrolyte. When used as the supercapacitor negative electrode, the SACF delivers superior specific capacity of 520.27 F g−1 at 1 A g−1 current density, 2.5 times that of the ACF (α‐FeOOH nanosheet array), and shows excellent cycle life and rate capacity. This work introduces the consideration of electric field into fabricating an effective supercapacitor negative electrode, and helps to understand the function mechanism of nano‐heterojunction when designed in electrode materials.
Tailoring the Pore Size of a Polypropylene Separator with a Polymer Having Intrinsic Nanoporosity for Suppressing the Polysulfide Shuttle in Lithium–Sulfur Batteries
Authors: Yu Xingwen , Wu Hao , Koo Joseph H. , Manthiram Arumugam
Published: November 2019

Lithium–sulfur (Li–S) batteries are being considered as one of the most promising candidates for the development of next‐generation energy storage technologies. Although much progress has been made over the past decade, the development of Li–S batteries is still held back by a crucial polysulfide‐shuttle problem. To address this critical issue, an approach to reduce the pore size of the separator is presented here, to prevent the penetration of soluble polysulfide species. A polymer with intrinsic nanoporosity (PIN) is developed within the micrometer‐scale pores of a polypropylene separator. The framework of polypropylene acts as a skeleton to sustain reliable mechanical properties with the thin membrane. Upon the formation of PIN in the pores, the polypropylene separator maintains its thickness. With the thin PIN–polypropylene membrane, the Li–S cells can be operated with a relatively high sulfur loading. The PIN allows the transport of Li+ ions, but suppresses the penetration of the polysulfide species. The Li–S batteries with the PIN‐modified polypropylene separator exhibit enhanced cycling performance.
Gain‐of‐function mutations in PIEZO1 directly impair hepatic iron metabolism via the inhibition of the BMP/SMADs pathway
Authors: Andolfo Immacolata , Rosato Barbara Eleni , Manna Francesco , De Rosa Gianluca , Marra Roberta , Gambale Antonella , Girelli Domenico , Russo Roberta , Iolascon Achille
Published: November 2019

Dehydrated hereditary stomatocytosis (DHS), or xerocytosis, is an autosomal dominant hemolytic anemia. Most patients with DHS carry mutations in the PIEZO1 gene encoding a mechanosensitive cation channel. We here demonstrate that patients with DHS have low levels of hepcidin and only a slight increase of ERFE, the erythroid negative regulator of hepcidin. We demonstrated that at the physiological level, PIEZO1 activation induced Ca2+ influx and suppression of HAMP expression in primary hepatocytes. In two hepatic cellular models expressing PIEZO1 WT and two PIEZO1 gain‐of‐function mutants (R2456H and R2488Q), we highlight altered expression of a few genes/proteins involved in iron metabolism. Mutant cells showed increased intracellular Ca2+ compared to WT, which was correlated to increased phosphorylation of ERK1/2, inhibition of the BMP‐SMADs pathway, and suppression of HAMP transcription. Moreover, the HuH7 cells, treated with PD0325901, a potent inhibitor of ERK1/2 phosphorylation, reduced the phosphorylation of ERK1/2 with the consequent increased phosphorylation of SMAD1/5/8, confirming the link between the two pathways. Another “proof of concept” for the mechanism that links PIEZO1 to HAMP regulation was obtained by mimicking PIEZO1 activation by cell Ca2+ overload, by the Ca2+ ionophore A23187. There was strong down‐regulation of HAMP gene expression after this Ca2+ overload. Finally, the inhibition of PIEZO1 by GsMTx4 leads to phenotype rescue. This is the first demonstration of a direct link between PIEZO1 and iron metabolism, which defines the channel as a new hepatic iron metabolism regulator and as a possible therapeutic target of iron overload in DHS and other iron‐loading anemias.
Chronic Myelomonocytic leukemia: 2020 update on diagnosis, risk stratification and management
Authors: Patnaik Mrinal M. , Tefferi Ayalew
Published: November 2019

Disease overview

Chronic myelomonocytic leukemia (CMML) is a clonal hematopoietic stem cell disorder with overlapping features of myelodysplastic syndromes and myeloproliferative neoplasms, with an inherent risk for leukemic transformation (~15% over 3‐5 years).

Diagnosis

Diagnosis is based on the presence of sustained (>3 months) peripheral blood monocytosis (≥1 × 109/L; monocytes ≥10%), along with bone marrow dysplasia. Clonal cytogenetic abnormalities occur in ~ 30% of patients, while >90% have gene mutations. Mutations involving TET2 (~60%), SRSF2 (~50%), ASXL1 (~40%) and the oncogenic RAS pathway (~30%) are frequent; while the presence of ASXL1 and DNMT3A mutations and the absence of TET2 mutations negatively impact over‐all survival.

Risk stratification

Molecularly integrated prognostic models include; the Groupe Français des Myélodysplasies (GFM), Mayo Molecular Model (MMM) and the CMML specific prognostic model (CPSS‐Mol). Risk factors incorporated into the MMM include presence of nonsense or frameshift ASXL1 mutations, absolute monocyte count>10 × 109/L, hemoglobin <10 g/dL, platelet count <100 × 109/L and the presence of circulating immature myeloid cells. The MMM stratifies CMML patients into four groups; high (≥3 risk factors), intermediate‐2 (2 risk factors), intermediate‐1 (1 risk factor) and low (no risk factors), with median survivals of 16, 31, 59 and 97 months, respectively.

Risk‐adapted therapy

Hypomethylating agents such as 5‐azacitidine and decitabine are commonly used, with overall response rates of ~40%‐50% and complete remission rates of ~7%‐17%; with no impact on mutational allele burdens. Allogeneic stem cell transplant is the only potentially curative option, but is associated with significant morbidity and mortality.
Stereodivergent Anion Binding Catalysis with Molecular Motors
Authors: Dorel Ruth , Feringa Ben L.
Published: November 2019

A photoresponsive chiral catalyst based on an oligotriazole‐functionalized unidirectional molecular motor has been developed for stereodivergent anion binding catalysis. The motor function controls the helical chirality of supramolecular assemblies with chloride anions, which by means of chirality transfer enables the enantioselective addition of a silyl ketene acetal nucleophile to oxocarbenium cations. Reversal of stereoselectivity (up to 142 % Δee) was achieved through rotation of the motor core induced by photochemical and thermal isomerization steps.
Harmless glucose‐modified ruthenium complexes suppressing cell migration of highly invasive cancer cell lines
Authors: Lamač Martin , Horáček Michal , Červenková Šťastná Lucie , Karban Jindřich , Sommerová Lucia , Skoupilová Hana , Hrstka Roman , Pinkas Jiří
Published: November 2019

Glucose‐substituted ruthenium complexes [(η6‐benzyl‐glucose)RuCp*]+Cl−, where Cp* = η5‐C5Me5; benzyl‐glucose = peracetylated benzyl β‐d‐glucopyranoside (1), benzyl β‐d‐glucopyranoside (2), have been prepared and used as efficient antimigration and anti‐invasive agents against metastatic breast cancer cells (MDA‐MB‐231) and cisplatin‐resistant ovarian cancer cells (SK‐OV‐3). In addition, these complexes were found to be essentially non‐toxic against non‐cancerous human kidney cells (HEK293).
Heritability of the Fibromyalgia Phenotype Varies by Age
Authors: Dutta Diptavo , Brummett Chad M. , Moser Stephanie E. , Fritsche Lars G. , Tsodikov Alexander , Lee Seunggeun , Clauw Daniel J. , Scott Laura J.
Published: November 2019

Objective

Many studies suggest a strong familial component to fibromyalgia (FM). However, those studies have nearly all been confined to individuals with primary FM, i.e., FM without any other accompanying disorder. The current 2011 and 2016 criteria for diagnosing FM construct a score using a combination of the number of painful body sites and the severity of somatic symptoms (FM score). This study was undertaken to estimate the genetic heritability of the FM score across sex and age groups to identify subgroups of individuals with greater heritability, which may help in the design of future genetic studies.

Methods

We collected data on 26,749 individuals of European ancestry undergoing elective surgery at the University of Michigan (Michigan Genomics Initiative study). We estimated the single‐nucleotide polymorphism–based heritability of FM score by age and sex categories using genome‐wide association study data and a linear mixed‐effects model.

Results

Overall, the FM score had an estimated heritability of 13.9% (SE 2.9%) (P = 1.6 × 10−7). Estimated FM score heritability was highest in individuals ≤50 years of age (23.5%; SE 7.9%) (P = 3.0 ×10−4) and lowest in individuals >60 years of age (7.5%; SE 8.1%) (P = 0.41). These patterns remained the same when we analyzed FM as a case–control phenotype. Even though women had an ~30% higher average FM score than men across age categories, FM score heritability did not differ significantly by sex.

Conclusion

Younger individuals appear to have a much stronger genetic component to the FM score than older individuals. Older individuals may be more likely to have what was previously called “secondary FM.” Regardless of the cause, these results have implications for future genetic studies of FM and associated conditions.
Differential DNA Methylation of Networked Signaling, Transcriptional, Innate and Adaptive Immunity, and Osteoclastogenesis Genes and Pathways in Gout
Authors: Wang Zengmiao , Zhao Ying , Phipps‐Green Amanda , Liu‐Bryan Ru , Ceponis Arnoldas , Boyle David L. , Wang Jun , Merriman Tony R. , Wang Wei , Terkeltaub Robert
Published: November 2019

Objective

In gout, autoinflammatory responses to urate crystals promote acute arthritis flares, but the pathogeneses of tophi, chronic synovitis, and erosion are less well understood. Defining the pathways of epigenomic immunity training can reveal novel pathogenetic factors and biomarkers. The present study was undertaken to seminally probe differential DNA methylation patterns utilizing epigenome‐wide analyses in patients with gout.

Methods

Peripheral blood mononuclear cells (PBMCs) were obtained from a San Diego cohort of patients with gout (n = 16) and individually matched healthy controls (n = 14). PBMC methylome data were processed with ChAMP package in R. ENCODE data and Taiji data analysis software were used to analyze transcription factor (TF)–gene networks. As an independent validation cohort, whole blood DNA samples from New Zealand Māori subjects (n = 13 patients with gout, n = 16 control subjects without gout) were analyzed.

Results

Differentially methylated loci clearly separated gout patients from controls, as determined by hierarchical clustering and principal components analyses. IL23R, which mediates granuloma formation and cell invasion, was identified as one of the multiple differentially methylated gout risk genes. Epigenome‐wide analyses revealed differential methylome pathway enrichment for B and T cell receptor signaling, Th17 cell differentiation and interleukin‐17 signaling, convergent longevity regulation, circadian entrainment, and AMP‐activated protein kinase signaling, which are pathways that impact inflammation via insulin‐like growth factor 1 receptor, phosphatidylinositol 3‐kinase/Akt, NF‐κB, mechanistic target of rapamycin signaling, and autophagy. The gout cohorts overlapped for 37 (52.9%) of the 70 TFs with hypomethylated sequence enrichment and for 30 (78.9%) of the 38 enriched KEGG pathways identified via TFs. Evidence of shared differentially methylated gout TF‐gene networks, including the NF‐κB activation–limiting TFs MEF2C and NFATC2, pointed to osteoclast differentiation as the most strongly weighted differentially methylated pathway that overlapped in both gout cohorts.

Conclusion

These findings of differential DNA methylation of networked signaling, transcriptional, innate and adaptive immunity, and osteoclastogenesis genes and pathways suggest that they could serve as novel therapeutic targets in the management of flares, tophi, chronic synovitis, and bone erosion in patients with gout.
Long‐term change of total cloud cover and its possible reason over South China during 1960–2012
Authors: Fu Chuanbo , Dan Li , Lin Xiaobin , Yang Fuqiang
Published: November 2019

Long‐term trend of total cloud cover (TCC) had been studied based on 51 meteorological stations across South China during the period 1960–2012. TCC reduction mainly happened over the past 53 years, and the value of climatic trend rate (CTR) averaged in all stations was − 0.625%·10a−1. The primary cause of the significant reduction of TCC was the temperature (LT) and relative humidity (LRH) in the low troposphere in the context of global warming. Correlation coefficients between TCC and LRH in annual and seasonal mean had all passed 99% significance test, and strong positive correlations indicate that LRH plays a much more important role in the change of TCC in South China.
Insights on the current status and advancement of diabetes mellitus type 2 and to avert complications: An overview
Authors: Chung Ill‐Min , Rajakumar Govindasamy , Subramanian Umadevi , Venkidasamy Baskar , Khanna Venkatesan Gopiesh , Thiruvengadam Muthu
Published: November 2019

Type 2 diabetes mellitus (T2DM) is an endocrine metabolic disorder, occurring worldwide due to aging, advancement in lifestyle by modernization. T2DM is characterized by higher levels of glucose in the blood due to unresponsive secretion of pancreatic insulin and insulin activity or altogether. T2DM is regarded as a powerful genetic susceptible disease that leads to high risk with insulin resistance and β‐cell dysfunction. To manage and overcome type 2 diabetes, physical activity, diet strategies, and other therapeutic medications along with usage of antiglycemic agents are developed and attempted appropriately. In the present review, attention has been focused on the understanding of T2DM outcomes, complications with possible management strategies, and pathophysiology of T2DM. Further, a detailed note on antiglycemic agents in use and other possible drugs of choice was discussed in the light of current preventive strategies are presented in this review.
Viral IL‐10 promotes cell proliferation and cell cycle progression via JAK2/STAT3 signaling pathway in nasopharyngeal carcinoma cells
Authors: Ren Yanxin , Yang Jie , Li Mei , Huang Ning , Chen Yun , Wu Xifang , Wang Xiaoli , Qiu Shun , Wang Hu , Li Xiaojiang
Published: November 2019

Epstein–Barr virus (EBV) is positively related to the morbidity of nasopharyngeal carcinoma (NPC) in Asia. After infection, EBV can produce several proteins, including viral interleukin‐10 (vIL‐10). But the mechanism by which vIL‐10 contributes to NPC cell proliferation and cell cycle progression is not well understood. In this study, EBV negative and positive cell lines, and the JAK2/STAT3 signal pathway inhibitor AG490 were used to illustrate the role of vIL‐10 in NPC. Cell proliferation and cell cycle were measured by CCK‐8 and flow cytometry. The expression levels of related protein were measured by Western blotting. High concentrations of vIL‐10 and IL‐6 were found in the EBV positive patients. The expression level of IL‐6 was positively related to the presence of concentration of vIL‐10. vIL‐10 can promote cancer cell proliferation and G1 to S phase transmission via upregulating the IL‐6 protein level by activating the JAK2/STAT3 signal pathway. Furthermore, EBV can induce the formation of cytotoxic T cells, whereas vIL‐10 can block the function of cytotoxic T cells. Taken together, these results suggest that vIL‐10 promotes cell proliferation and cell cycle progression via JAK2/STAT3 signaling pathway in NPC.
Intelligent Quarters Hamburg
Authors: Hensel Thomas , Wiechert Michael , Appel Silke , Lochte‐Holtgreven Stephan
Published: November 2019

Das Joint Venture der ECE Projektmanagement GmbH und der Strabag Real Estate GmbH hat auf einem Baugrundstück im Elbtorquartier der Hamburger HafenCity das Projekt „Intelligent Quarters“ umgesetzt. Neben der exponierten Lage des aus vier Bauteilen bestehenden Gebäudekomplexes musste während der Planung und Ausführung ein besonderes Augenmerk auf die Einflüsse der mehrgeschossigen Bauweise gelegt werden. Zusätzlich musste eine vollständige Schwingungsentkopplung bei schwierigen Baugrundverhältnissen umgesetzt werden, da der Gebäudekomplex über der U‐Bahn‐Linie U4 liegt. Mittels numerischer Methoden und im Experiment konnte gezeigt werden, dass der Einsatz von Schwingungsdämpfern zur Schwingungsentkopplung einzelner Bauteile im „Intelligent Quarters“ erfolgreich umgesetzt wurde.
Das Instandsetzungsprinzip W‐Cl
Authors: Mayer Till Felix , Dauberschmidt Christoph , Bruns Michael , Eichler Thorsten , Wiens Udo , Mietz Jürgen , Gehlen Christoph , Ebell Gino , Gerhard Gregor , Osterminski Kai
Published: November 2019

Während das Instandsetzungsprinzip W bei carbonatisierungsinduzierter Korrosion seit vielen Jahren als Standardverfahren etabliert ist, wird seine Anwendbarkeit bei chloridinduzierter Korrosion (W‐Cl) in der Fachwelt bis heute kontrovers diskutiert. Zwar ergeben sich aus seiner Anwendung gegenüber anderen Instandsetzungsverfahren auf den ersten Blick u. U. deutliche wirtschaftliche Vorteile, allerdings besteht bei diesem Verfahren ein deutlich höheres Risiko, dass das Instandsetzungsziel nicht erreicht wird.

Im vorliegenden Beitrag werden die technischen Grundlagen des Instandsetzungsprinzips W‐Cl sowie der aktuelle Kenntnisstand – sowohl für den gerissenen als auch für den ungerissenen Beton – dargestellt und baurechtliche Konsequenzen, die sich aus dem erhöhten Ausführungsrisiko ergeben, diskutiert. Korrosionsmonitoring als Element zum Nachweis des Instandsetzungserfolgs bei Anwendung des Prinzips W‐Cl wird vorgestellt. Anhand von Anwendungsbeispielen werden sowohl die Risiken, die mit dem Verfahren verbunden sind, als auch das Potenzial bei erfolgreicher Anwendung veranschaulicht.