bluuebunny/crossref_metadata_2025_split huggingface dataset:
Toward “On‐Demand” Materials Synthesis and Scientific Discovery through Intelligent Robots
Authors: Li Jiagen , Tu Yuxiao , Liu Rulin , Lu Yihua , Zhu Xi 
Published: February 2020

AbstractA Materials Acceleration Operation System (MAOS) is designed, with unique language and compiler architecture. MAOS integrates with virtual reality (VR), collaborative robots, and a reinforcement learning (RL) scheme for autonomous materials synthesis, properties investigations, and self‐optimized quality assurance. After training through VR, MAOS can work independently for labor and intensively reduces the time cost. Under the RL framework, MAOS also inspires the improved nucleation theory, and feedback for the optimal strategy, which can satisfy the demand on both of the CdSe quantum dots (QDs) emission wavelength and size distribution quality. Moreover, it can work well for extensive coverages of inorganic nanomaterials. MAOS frees the experimental researchers out of the tedious labor as well as the extensive exploration of optimal reaction conditions. This work provides a walking example for the “On‐Demand” materials synthesis system, and demonstrates how artificial intelligence technology can reshape traditional materials science research in the future.
Impermeable Charge Transport Layers Enable Aqueous Processing on Top of Perovskite Solar Cells
Authors: Gahlmann Tobias , Brinkmann Kai Oliver , Becker Tim , Tückmantel Christian , Kreusel Cedric , van gen Hassend Frederic , Weber Sebastian , Riedl Thomas 
Published: February 2020

AbstractSeveral applications of perovskite solar cells (PSCs) demand a semitransparent top electrode to afford top‐illumination or see‐through devices. Transparent conductive oxides, such as indium tin oxide (ITO), typically require postdeposition annealing at elevated temperatures, which would thermally decompose the perovskite. In contrast, silver nanowires (AgNWs) in dispersions of water would be a very attractive alternative that can be deposited at ambient conditions. Water is environmentally friendly without safety concerns associated with alcohols, such as flammability. Due to the notorious moisture sensitivity of lead‐halide perovskites, aqueous processing of functional layers, such as electrodes, on top of a perovskite device stack is elusive. Here, impermeable electron transport layers (ETLs) are shown to enable the deposition of semitransparent AgNW electrodes from green aqueous dispersions on top of the perovskite cell without damage. The polyvinylpyrrolidone (PVP) capping agent of the AgNWs is found to cause a work–function shift and an energy barrier between the AgNWs and the adjacent ETL. Thus, a high carrier density (≈1018 cm−3) in the ETL is required to achieve well‐behaved J/V characteristics free of s‐shapes. Ultimately, semitransparent PSCs are demonstrated that provide an efficiency of 17.4%, which is the highest efficiency of semitransparent p‐i‐n perovskite solar cells with an AgNW top electrode.
A High‐Energy NASICON‐Type Cathode Material for Na‐Ion Batteries
Authors: Wang Jingyang , Wang Yan , Seo Dong‐Hwa , Shi Tan , Chen Shouping , Tian Yaosen , Kim Haegyeom , Ceder Gerbrand 
Published: February 2020

AbstractOver the last decade, Na‐ion batteries have been extensively studied as low‐cost alternatives to Li‐ion batteries for large‐scale grid storage applications; however, the development of high‐energy positive electrodes remains a major challenge. Materials with a polyanionic framework, such as Na superionic conductor (NASICON)‐structured cathodes with formula NaxM2(PO4)3, have attracted considerable attention because of their stable 3D crystal structure and high operating potential. Herein, a novel NASICON‐type compound, Na4MnCr(PO4)3, is reported as a promising cathode material for Na‐ion batteries that deliver a high specific capacity of 130 mAh g−1 during discharge utilizing high‐voltage Mn2+/3+ (3.5 V), Mn3+/4+ (4.0 V), and Cr3+/4+ (4.35 V) transition metal redox. In addition, Na4MnCr(PO4)3 exhibits a high rate capability (97 mAh g−1 at 5 C) and excellent all‐temperature performance. In situ X‐ray diffraction and synchrotron X‐ray diffraction analyses reveal reversible structural evolution for both charge and discharge.
Soil‐test biological activity with the flush of CO2: VII. Validating nitrogen needs for fall‐stockpiled forage
Authors: Franzluebbers Alan J. , Poore Matt H. 
Published: February 2020

AbstractNitrogen fertilizer is an expensive input, and its necessity in grazed tall fescue (Schedonorus arundinaceus) pastures can be questioned when sufficient soil N mineralization occurs. A soil‐testing tool that could predict the need for N fertilizer inputs would be beneficial to producers to optimize profit and avoid environmental contamination. Thirty‐seven on‐farm trials were conducted in the Piedmont and Blue Ridge regions of Georgia, South Carolina, North Carolina, and Virginia in 2018 to evaluate fall‐stockpiled tall fescue yield response to N and P fertilizer inputs. Carbon and N characteristics of the soil surface (0‐ to 10‐cm depth) and surface residue varied among sites. Forage mass responses to P fertilizer input were below the economic threshold, regardless of Mehlich‐III extractable P. Forage mass responses to N fertilizer input did not exceed a low cost/value threshold of 5 kg forage kg−1 N in 24 of the trials. Economically optimum N rate was greatest when soil N mineralization and soil‐test biological activity (STBA) were at low levels. Results validated those of an earlier study on 55 fields, and taken together, suggest that N fertilizer for fall‐stockpiled tall fescue could be as high as 80 kg N ha−1 on fields with very low STBA (<100 mg CO2–C kg−1 soil 3 d−1) and declining to nil with medium STBA (>250 mg CO2–C kg−1 soil 3 d−1), depending on cost/value threshold. Healthy soils with high STBA can be managed effectively without N fertilizer inputs to recycle nutrients and promote more sustainable agricultural systems.
Highly selective absorption separation of H2S and CO2 from CH4 by novel azole‐based protic ionic liquids
Authors: Zhang Xiaomin , Xiong Wenjie , Peng Lingling , Wu Youting , Hu Xingbang 
Published: February 2020

AbstractRecently, the selective removal of H2S and CO2 has been highly desired in natural gas sweetening. Herein, four novel azole‐based protic ionic liquids (PILs) were designed and prepared through one‐step neutralization reaction. The solubility of H2S (0–1.0 bar), CO2 (0–1.0 bar), and CH4 (0–5.0 bar) was systematically measured at temperatures from 298.2 to 333.2 K. NMR and theoretical calculation were used to investigate the reaction mechanism between these PILs and H2S. Reaction equilibrium thermodynamic model (RETM) was screened to correlate the H2S solubility. Impressively, 1,5‐diazabicyclo[4,3,0] non‐5‐ene 1,2,4‐1H‐imidazolide ([DBNH][1,2,4‐triaz]) shows the highest H2S solubility (1.4 mol/mol or 7.3 mol/kg at 298.2 K and 1.0 bar) and superior H2S/CH4 (831) and CO2/CH4 (199) selectivities compared with literature results. Considering the excellent absorption capacity of H2S, high H2S/CH4, and CO2/CH4 selectivity, acceptable reversibility, as well as facile preparation process, it is believed that azole‐based PILs provide an attractive alternative in natural gas upgrading process.
Palladium‐Catalyzed Cascade Cyclization/Alkynylation of Alkene‐Tethered Carbamoyl Chlorides with Terminal Alkynes: Synthesis of Alkyne‐Functionalized Oxindoles
Authors: Sun Wan , Shi Xiaonan , Chen Chen , Zhu Yan‐Ping , Liu Zhengyu , Zhu Bolin 
Published: February 2020

AbstractWe reported the first palladium‐catalyzed copper‐free cascade cyclization/alkynylation of alkene‐tethered carbamoyl chlorides with terminal alkynes, which provided an alternative approach to synthesize various functionalized oxindoles bearing a propargyl all‐carbon quaternary center. This protocol was highly efficient and exhibited good functional group compatibility, as well as the broad substrate scope.
Unraveling the Impact of Gold(I)–Thiolate Motifs on the Aggregation‐Induced Emission of Gold Nanoclusters
Authors: Wu Zhennan , Yao Qiaofeng , Chai Osburg Jin Huang , Ding Nan , Xu Wen , Zang Shuangquan , Xie Jianping 
Published: February 2020

AbstractAggregation‐induced emission (AIE) provides an efficient strategy to synthesize highly luminescent metal nanoclusters (NCs), however, rational control of emission energy and intensity of metal NCs is still challenging. This communication reveals the impact of surface AuI‐thiolate motifs on the AIE properties of Au NCs, by employing a series of water‐soluble glutathione (GSH)‐coordinated Au complexes and NCs as a model ([Au10SR10], [Au15SR13], [Au18SR14], and [Au25SR18]−, SR=thiolate ligand). Spectroscopic investigations show that the emission wavelength of Au NCs is adjustable from visible to the near‐infrared II (NIR‐II) region by controlling the length of the AuI‐SR motifs on the NC surface. Decreasing the length of AuI‐SR motifs also changes the origin of cluster luminescence from AIE‐type phosphorescence to Au0‐core‐dictated fluorescence. This effect becomes more prominent when the degree of aggregation of Au NCs increases in solution.
Trackable Supramolecular Fusion: Cage to Cage Transformation of Tetraphenylethylene‐Based Metalloassemblies
Authors: Li Guangfeng , Zhou Zhixuan , Yuan Chang , Guo Zhewen , Liu Yuhang , Zhao Dong , Liu Kai , Zhao Jun , Tan Hongwei , Yan Xuzhou 
Published: February 2020

AbstractHerein, the trackable supramolecular transformation of a two‐component molecular cage to a three‐component cage through supramolecular fusion with another two‐component molecular square is described. The use of tetraphenylethene (TPE), a chromophore with aggregation‐induced emission (AIE) character, as a component for the molecular cages enables facile fluorescence monitoring of the transformation process: while both cages exhibit fluorescence emission via the restriction of intramolecular motion of the TPE motif, the interactions between TPE and 4,4′‐bipyridine introduced in the supramolecular fusion process result in partial fluorescence quenching and shifts in the emission maximum. This study provides a simple and efficient approach towards complex supramolecular cages with emergent functions and demonstrates that AIE features could provide unique opportunities for the characterization of complex, dynamic supramolecular transformation processes.
Protein‐Structure‐Directed Metal–Organic Zeolite‐like Networks as Biomacromolecule Carriers
Authors: Wang Huanrong , Han Lin , Zheng Dong , Yang Mingfang , Andaloussi Yassin H. , Cheng Peng , Zhang Zhenjie , Ma Shengqian , Zaworotko Michael J. , Feng Yifan , Chen Yao 
Published: February 2020

AbstractFabrication of zeolite‐like metal–organic frameworks (ZMOFs) for advanced applications, such as enzyme immobilization, is of great interest but is a great synthetic challenge. Herein, we have developed a new strategy using proteins as structure‐directed agents to direct the formation of new ZMOFs that can act as versatile platforms for the in situ encapsulation of proteins under ambient conditions. Notably, protein incorporation directs the formation of a ZMOF with a sodalite (sod) topology instead of a non‐porous diamondoid (dia) topology under analogous synthetic conditions. Histidines in proteins play a crucial role in the observed templating effect. Modulating histidine content thereby influenced the resultant MOF product (fromdiatodia+sodmixture and, ultimately, tosodMOF). Moreover, the resulting ZMOF‐incorporated proteins preserved their activity even after exposure to high temperatures and organic solvents, demonstrating their potential for biocatalysis and biopharmaceutical applications.
Z‐Scheme Photocatalytic Systems for Carbon Dioxide Reduction: Where Are We Now?
Authors: Zhang Wenhao , Mohamed Abdul Rahman , Ong Wee‐Jun 
Published: February 2020

AbstractTransforming CO2into fuels by utilizing sunlight is promising to synchronously overcome global warming and energy‐supply issues. It is crucial to design efficient photocatalysts with intriguing features such as robust light‐harvesting ability, strong redox potential, high charge‐separation, and excellent durability. Hitherto, a single‐component photocatalyst is incapable to simultaneously meet all these criteria. Inspired by natural photosynthesis, constructing artificial Z‐scheme photocatalysts provides a facile way to conquer these bottlenecks. In this review, we firstly introduce the fundamentals of photocatalytic CO2reduction and Z‐scheme systems. Thereafter we discuss state‐of‐the‐art Z‐scheme photocatalytic CO2reduction, whereby special attention is placed on the predominant factors that affect photoactivity. Additionally, further modifications that are important for efficient photocatalysis are reviewed.
Tunable DNA Origami Motors Translocate Ballistically Over μm Distances at nm/s Speeds
Authors: Bazrafshan Alisina , Meyer Travis A. , Su Hanquan , Brockman Joshua M. , Blanchard Aaron T. , Piranej Selma , Duan Yuxin , Ke Yonggang , Salaita Khalid 
Published: February 2020

AbstractInspired by biological motor proteins, that efficiently convert chemical fuel to unidirectional motion, there has been considerable interest in developing synthetic analogues. Among the synthetic motors created thus far, DNA motors that undertake discrete steps on RNA tracks have shown the greatest promise. Nonetheless, DNA nanomotors lack intrinsic directionality, are low speed and take a limited number of steps prior to stalling or dissociation. Herein, we report the first example of a highly tunable DNA origami motor that moves linearly over micron distances at an average speed of 40 nm/min. Importantly, nanomotors move unidirectionally without intervention through an external force field or a patterned track. Because DNA origami enables precise testing of nanoscale structure‐function relationships, we were able to experimentally study the role of motor shape, chassis flexibility, leg distribution, and total number of legs in tuning performance. An anisotropic rigid chassis coupled with a high density of legs maximizes nanomotor speed and endurance.
Rapid homogenization preparation of the mussel‐inspired hydrophilic separator for high power lithium‐ion batteries
Authors: Li Jingde , Bi Songhu , Li Meimei , Xian Yupei , Shui Yonggang , Yao Yongyi , Wu Mengqiang 
Published: February 2020

AbstractIn this work, a thin and smooth PEI/Dopamine coating layer was immobilized onto the PP separator skeleton via co‐deposition of dopamine and polyethyleneimine (PEI, 600 Da). The PEI/Dopamine decorated separator was characterized by SEM, FT‐IR/ATR, XPS, UV, EDX, DSC, contact angle and electrochemical methods. The PEI/Dopamine decorated separator showed stable thermal performance. The pure water contact angle was reduced after PEI/Dopamine coating modification. The electrolyte uptake was improved by reason of the boosted compatibility between separator and liquid electrolyte. Meanwhile, the high absorption rate of electrolytes and the introduction of polar functional groups promote the desolvation of lithium ions and the dissociation of lithium salts, thereby improving the ionic conductivity. Batteries assembled with PEI/Dopamine decorated separator displayed more stable cycle performance and the C‐rate performance was greatly enhanced. These results demonstrate that PEI/Dopamine decorated separator is expected to be an ideal choice for high power lithium‐ion batteries.
Superhydrophobic polytetrafluoroethylene nanofiber membranes prepared by vacuum sintering and their application in vacuum membrane distillation
Authors: Zhou Tao , Zhong Qin , Li Jingde , Yao Yongyi , Xiang Ruili , Zhu Puxin 
Published: February 2020

AbstractElectrospinning‐sintering is a general strategy to fabricate polytetrafluoroethylene (PTFE) nanofibrous membranes. In this study, vacuum atmosphere was created in the sintering process to obtain pure PTFE fibers. The effect of vacuum pressure on fiber morphology and material component of the sintered membrane was investigated by scanning electron microscopy (SEM) and X‐ray photoelectron spectroscopy (XPS) characterization. A proper vacuum condition was believed to be beneficial to decrease poly(vinyl alcohol) residual and creating nanosize structures on the fiber surface, as porous, which contributes to a secondary roughness, while insignificantly influence membrane strength. As a result, the prepared membrane was superhydrophobicity with enhanced liquid entry pressure value. The anti‐wetting property of the vacuum sintered membranes was further evaluated by vacuum membrane distillation process, and ensured the superior wetting resistance of the vacuum sintered PTFE membranes.
Optimization of printing parameters for improvement of mechanical and thermal performances of 3D printed poly(ether ether ketone) parts
Authors: El Magri Anouar , El Mabrouk Khalil , Vaudreuil Sébastien , Chibane Hicham , Touhami Mohamed Ebn 
Published: February 2020

AbstractMany processing parameters can be adjusted to optimize the fused filament fabrication (FFF) process, a popular and widely used additive manufacturing techniques for plastic materials. Among those easily adjusted parameters are the nozzle temperature, printing speed, raster orientation, and layer thicknesses. Using poly(ether ether ketone) (PEEK) as the base material, a design of experiments analysis was performed on the main FFF parameters. A response surface methodology was applied to analyze the results and to maximize the output responses. Results have shown that the nozzle temperature is the most influential parameter on tensile properties and the crystallinity degree of printed PEEK by FFF process. Parts produced with optimized FFF parameters were then subjected to an annealing treatment to induce a relaxation of residual stress and to enhance crystallinity. The best properties for 3D printed PEEK parts were achieved with annealed parts prepared at 400°C with a printing speed of 30 mm/s, 0.15 mm layer thickness and raster orientation of [0°/15°/−15°]. The resulting parts have mechanical properties comparable to those of injected PEEK.
Polycalin is involved in the toxicity and resistance to Cry1Ac toxin in Helicoverpa armigera (Hübner)
Authors: Wang Bingjie , Wei Jizhen , Wang Yanan , Chen Lin , Liang Gemei 
Published: February 2020

AbstractPolycalin has been confirmed as a binding protein of the Cry toxins in a few Lepidoptera insects, but its function in the action mechanism of Cry1Ac and whether it is involved in resistance evolution are still unclear. In this study, Ligand blot and enzyme‐linked immunosorbent assays showed that Helicoverpa armigera polycalin could specifically interact with Cry1Ac with a high affinity (Kd = 118.80 nM). Importantly, antisera blocking polycalin in H. armigera larvae decreased the toxicity of Cry1Ac by 31.84%. Furthermore, the relative gene and protein expressions were lower in Cry1Ac‐resistant strain (LF60) than that in Cry1Ac‐susceptible strain (LF). These findings indicated that H. armigera polycalin was a possible receptor of Cry1Ac and may be contributed to the resistance to Cry1Ac.
Advanced Metering Infrastructure: Reducing Water Loss, Improving Security, and Enhancing Resiliency
Authors: Mix Nelson , Lai Alan , Thompson Kenneth , Seachrist Steven C. 
Published: February 2020

Key TakeawaysA pilot study was conducted to understand the use of advanced metering infrastructure in a neighborhood northeast of Atlanta, Ga.The dashboard system displayed locations of flows and pressures as well as alerts that the team flagged for further investigation.The usage and pressure data from the pilot project allowed detection and remediation of leaks on both sides of the meter.
An Investigation of Titanium/Silicon Oxide‐CNTs Anode Material for Lithium‐Ion Batteries
Authors: Zhang Wenshan , Li Wensheng , Zhou Xiaoping 
Published: February 2020

AbstractDiscovering a high‐performance (high rate capability, high specific capacity, and good stability) anode material for automobile battery applications is a great challenge. A titanium/silicon oxide‐CNTs (TimSinOl‐CNTs) is synthesized and tested as anode material for lithium‐ion batteries. High specific capacity (278 mAhg−1 at 100 mA g−1), high rate capability (156 mAh g−1 at 4000 mA g−1), and good stability (maintains 278 mAhg−1 after 200 cycles) are reached over TimSinOl‐CNTs. The as‐synthesized TimSinOl‐CNTs has a particle structure that TimSinOl encapsulates CNTs with CNTs ends stretching out of the particles. In the TimSinOl phase, the TiO2 crystal seeds are formed and encapsulated in amorphous SiOy boundaries, which have sub‐nano pores. The high performance properties of TimSinOl‐CNTs could come from the synergetic combination of (1) the excellent electronic conductivity of CNTs and the amorphous carbon in TimSinOl‐CNTs, (2) the high Li+ intaking capability of the TiO2 crystal seeds, (3) the high electrochemical activity of SiOy, (4) the high Li+ insertion/extraction kinetics in the small TiO2 crystal seeds and the amorphous SiOy with sub‐nano pores, and (5) the high volume change tolerance offered by the CNTs binder and the amorphous SiOy.
Arginine‐derived carbon nanoparticles for determination of Cr(VI) in water samples
Authors: Yahyazadeh Ehsan , Shemirani Farzaneh 
Published: February 2020

AbstractHexavalent chromium, Cr(VI), is a toxic and carcinogenic ion that poses significant risks toward human health and the environment. Due to its extensive industrial use and high water solubility, Cr(VI) can easily contaminate drinking water sources. Therefore, it is essential to develop methods to detect Cr(VI) in water samples. Recently, carbon quantum dots – being biocompatible, easy to synthesize, and cost‐effective fluorophores – have been successfully applied for the determination of different heavy metal ions. In this study, arginine‐derived carbon nanoparticles were synthesized using a solvent‐free one‐pot thermal method. These carbon nanoparticles were characterized using transmission electron microscopy, dynamic light scattering analysis, infrared spectroscopy, ultraviolet–visible (UV–vis) light spectroscopy, fluorescence spectroscopy, and CHNO elemental analysis before being used to design a sensor for Cr(VI). The sensor's signal was optimized and the arginine‐derived carbon nanoparticle‐based Cr(VI) determination method was shown to have a limit of detection of 18 nM, a limit of quantification of 60 nM, and a linear response range of 0.06–100 μM. The sensor's selectivity toward Cr(VI) was studied and a potential interfering ion was identified and dealt with. Finally, the sensor was successfully applied for the determination of Cr(VI) in tap water and mineral water samples.
Enantiomeric separation of six beta‐adrenergic blockers on Chiralpak IB column and identification of chiral recognition mechanisms by molecular docking technique
Authors: Li Meng , Jiang Zhen , Di Xin , Song Yongbo 
Published: February 2020

AbstractEnantiomeric separation of six β‐adrenergic blockers was systematically studied for the first time on a polysaccharide‐based chiral stationary phase, i.e. Chiralpak IB, under the normal‐phase mode. The effect of alcohol modifiers, alcohol content and basic additive on enantiomeric separation was evaluated and optimized. Under the optimal conditions, the enantiomers of atenolol, bevantolol, cartelol, esmolol, metoprolol and propranolol were all baseline resolved with resolutions of 1.50, 8.56, 2.05, 2.11, 3.56 and 4.02, respectively. Additionally, molecular docking was tested to explain chiral recognition mechanisms of this set of the drug enantiomers on Chiralpak IB. The details of the various interactions affecting enantiomeric separation were confirmed from the molecular level and the modeling data were in agreement with the chromatographic results concerning the enantioselectivity.