bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cross Couplings of Cinnamates to Benzo‐Fused Oxanorbornadienes
Authors: Cheng Chung‐Hsuan , Hsueh Han‐Hsuan , Jian Shi‐Jie , Chen Chien‐Tien 
Published: July 2023

AbstractPotential exo‐specific [3+2] cascade cyclizations between o‐Br‐substituted cinnamates (CM−Br) and benzo‐fused 7‐oxa‐norbornadiene (Bz‐OND) by Pd‐mediated catalysis were explored both in racemic and asymmetric methods. A systematic study on Pd(II) catalysts, silane additives, carbonate bases, solvents, chiral diphosphines within a reaction temperature range of 60–80 °C were carried out. The best combination was between methyl o‐Br‐cinnamate and Bz‐OND catalyzed by Pd(OAc)2/dppf and /DM‐BINAP, respectively, in CH3CN at 80 °C. The desired racemic and optically active Bz‐OND‐fused indanes bearing 1‐carbonylmethylidene (CBM) unit were thus afforded in 95 % and 71 % yields and with enantioselectivities of up to 43 % ee. The optimal asymmetric recipe can be applied to alkyl, aryl cinnamates, 4‐substituted, and 5‐substituted o‐bromo‐cinnamates. Exclusive hydrogenations from the exo‐face of the CBM alkene units can be readily done by Pd(0)/charcoal in EtOAc, affording the product complementary to the direct Rh(I)‐catalyzed cyclization.
Polyolefin‐Based Separator with Interfacial Chemistry Regulation for Robust Potassium Metal Batteries
Authors: Tu Long , Zhang Zhijia , Zhao Zelin , Xiang Xinyuan , Deng Bohua , Liu Dan , Qu Deyu , Tang Haolin , Li Junsheng , Liu Jinping 
Published: July 2023

AbstractPotassium metal batteries (KMBs) are ideal choices for high energy density storage system owing to the low electrochemical potential and low cost of K. However, the practical KMB applications suffer from intrinsically active K anode, which would bring serious safety concerns due to easier generation of dendrites. Herein, to explore a facile approach to tackle this issue, we propose to regulate K plating/stripping via interfacial chemistry engineering of commercial polyolefin‐based separator using multiple functional units integrated in tailored metal organic framework. As a case study, the functional units of MIL‐101(Cr) offer high elastic modulus, facilitate the dissociation of potassium salt, improve the K+ transfer number and homogenize the K+ flux at the electrode/electrolyte interface. Benefiting from these favorable features, uniform and stable K plating/stripping is realized with the regulated separator. Full battery assembled with the regulated separator showed ~19.9 % higher discharge capacity than that with glass fiber separator at 20 mA g−1 and much better cycling stability at high rates. The generality of our approach is validated with KMBs using different cathodes and electrolytes. We envision that the strategy to suppress dendrite formation by commercial separator surface engineering using tailor‐designed functional units can be extended to other metal/metal ion batteries.
Atomic Insights into Synergistic Nitroarene Hydrogenation over Nanodiamond‐Supported Pt1−Fe1 Dual‐Single‐Atom Catalyst
Authors: Deng Pengcheng , Duan Jianglin , Liu Fenli , Yang Na , Ge Huibin , Gao Jie , Qi Haifeng , Feng Dan , Yang Man , Qin Yong , Ren Yujing 
Published: July 2023

AbstractFundamental understanding of the synergistic effect of bimetallic catalysts is of extreme significance in heterogeneous catalysis, but a great challenge lies in the precise construction of uniform dual‐metal sites. Here, we develop a novel method for constructing Pt1−Fe1/ND dual‐single‐atom catalyst, by anchoring Pt single atoms on Fe1−N4 sites decorating a nanodiamond (ND) surface. Using this catalyst, the synergy of nitroarenes selective hydrogenation is revealed. In detail, hydrogen is activated on the Pt1−Fe1 dual site and the nitro group is strongly adsorbed on the Fe1 site via a vertical configuration for subsequent hydrogenation. Such synergistic effect decreases the activation energy and results in an unprecedented catalytic performance (3.1 s−1 turnover frequency, ca. 100 % selectivity, 24 types of substrates). Our findings advance the applications of dual‐single‐atom catalysts in selective hydrogenations and open up a new way to explore the nature of synergistic catalysis at the atomic level.
Fine‐Tuning the Molecular Design for High‐Performance Molecular Diodes Based on Pyridyl Isomers
Authors: Peng Wuxian , Chen Ningyue , Wang Caiyun , Xie Yu , Qiu Shengzhe , Li Shuwei , Zhang Liang , Li Yuan 
Published: July 2023

AbstractBetter control of molecule‐electrode coupling (Γ) to minimize leakage current is an effective method to optimize the functionality of molecular diodes. Herein we embedded 5 isomers of phenypyridyl derivatives, each with an N atom placed at a different position, in two electrodes to fine‐tune Γ between self‐assembled monolayers (SAMs) and the top electrode of EGaIn (eutectic Ga−In terminating in Ga2O3). Combined with electrical tunnelling results, characterizations of electronic structures, single‐level model fittings, and DFT calculations, we found that the values of Γ of SAMs formed by these isomers could be regulated by nearly 10 times, thereby contributing to the leakage current changing over about two orders of magnitude and switching the isomers from resistors to diodes with a rectification ratio (r+=|J(+1.5 V)/J(−1.5 V)|) exceeding 200. We demonstrated that the N atom placement can be chemically engineered to tune the resistive and rectifying properties of the molecular junctions, making it possible to convert molecular resistors into rectifiers. Our study provides fundamental insights into the role of isomerism in molecular electronics and offers a new avenue for designing functional molecular devices.
BODIPY‐based Fluorescent Indicators for Lipid Droplets
Authors: Zhu Jianping , Tan Nian Kee , Kikuchi Kai , Kaur Amandeep , New Elizabeth J. 
Published: July 2023

AbstractLipid droplets are essential for cellular lipid storage, playing critical roles in cellular lipid metabolism. Although lipid droplets have drawn intense research in recent years, much remains to be uncovered about the roles of this organelle in biology. Lipid droplet indicators exhibiting large Stokes shifts and improved brightness are therefore in demand. We report two asymmetric BODIPY derivatives, BoL1 and BoL2 bearing a benzothiazole group at the 6‐position, which led to bathochromic shifts of 62 nm for BoL1 and 37 nm for BoL2 in fluorescence emission when compared to the reference molecules without the benzothiazole group. The incorporation of the benzothiazole moiety also resulted in a large Stokes shift of 40 nm. BoL1 and BoL2 have been demonstrated to operate as lipid droplet indicators in both confocal and STED imaging. BoL2 showed particularly good cellular retention and was further applied to explore the impact of cellular starvation on the trafficking of lipid droplets.
High‐temperature resistance and excellent electrical insulation in epoxy resin blends
Authors: Zhang Changhai , Liu Zeyang , Zhang Tiandong , Wang Xubin , Yin Chao , Liu Xianli , Chi Qingguo 
Published: July 2023

AbstractThe packaging insulation material was a crucial component to guarantee the stable and safe operation of electronic devices. Epoxy resin, one of the most popular packaging materials, was widely used as an electronic packaging material because of its good corrosion resistance and electrical insulation, low price, and easy processing and molding. However, the unsatisfied heat resistance cannot meet the requirements of the rapid development of third‐generation power semiconductors, so it was meaningful to modify the epoxy resin with both excellent heat resistance and insulation. In this paper, tetrafunctional epoxy resin AG70 and phenolic epoxy resin F51 was blended in different proportions to combine their individual advantages, and the microstructure and electrical/thermal properties of epoxy resin blends had been systematically studied. The results showed that with the increase of blending ratio of AG70 with F51, both high glass transition temperature of 213.3°C and electric breakdown of 206.1 kV/mm were achieved when the blending ratio was 5:5, displaying excellent overall performances and exhibiting great application potential in electronic and microelectronic industries.
High‐throughput fabrication, structural characterization, and cellular interaction of compositionally diverse fish gelatin/polycaprolactone (PCL) nanofibrous materials
Authors: Lacy Hannah A. , Jenčová Věra , Hauzerová Šarká , Stanishevsky Andrei 
Published: July 2023

AbstractNanofibers made by blending natural and synthetic biopolymers have shown promise for better mechanical stability, ECM morphology mimicry, and cellular interaction of such materials. With the evolution of production methods of nanofibers, alternating field electrospinning (a.k.a. alternating current (AC) electrospinning) demonstrates a strong potential for scalable and sustainable fabrication of nanofibrous materials. This study focuses on AC‐electrospinning of poorly miscible blends of gelatin from cold water fish skin (FGEL) and polycaprolactone (PCL) in a range of FGEL/PCL mass ratios from 0.9:0.1 to 0.4:0.6 in acetic acid single‐solvent system. The nanofiber productivity rates of 7.8–19.0 g/h were obtained using a single 25 mm diameter dish‐like spinneret, depending on the precursor composition. The resulting nanofibrous meshes had 94%–96% porosity and revealed the nanofibers with 200–750 nm diameters and smooth surface morphology. The results of FTIR, XRD, and water contact angle analyses have shown the effect of FGEL/PCL mass ratio on the changes in the material wettability, PCL crystallinity and orientation of PCL crystalline regions, and secondary structure of FGEL in as‐spun and thermally crosslinked materials. Preliminary in vitro tests with 3 T3 mouse fibroblasts confirmed favorable and tunable cell attachment, proliferation, and spreading on all tested FGEL/PCL nanofibrous meshes.
Customization from Single to Dual Atomic Sites for Efficient Electrocatalytic CO2 Reduction to Value‐added Chemicals
Authors: Wei Kunling , Pan Keheng , Qu Guangfei , Zhou Junhong 
Published: July 2023

AbstractIn recent years, single‐atom catalysts (SACs) have received increasing attention in the field of electrochemical CO2RR with their efficient atom utilization efficiency and excellent catalytic performance. However, their low metal loading and the presence of linear relationships for single active sites with simple structures possibly restrict their activity and practical applications. Active site tailoring at the atomic level is a visionary approach to break the existing limitations of SACs. This paper first briefly introduces the synthesis strategies of SACs and DACs. Then, combining previous experimental and theoretical studies, this paper introduces four optimization strategies, namely spin‐state tuning engineering, axial functionalization engineering, ligand engineering, and substrate tuning engineering, for improving the catalytic performance of SACs in the electrochemical CO2RR process by combining previous experimental and theoretical studies. Then it is introduced that DACs exhibit significant advantages over SACs in increasing metal atom loading, promoting the adsorption and activation of CO2 molecules, modulating intermediate adsorption, and promoting C−C coupling. At the end of this paper, we briefly and succinctly summarize the main challenges and application prospects of SACs and DACs in the field of electrochemical CO2RR at present.
The detection mechanism for false data injection attack via the ellipsoidal set‐membership approach
Authors: Zhang Hao , He Lei , Wang Zhuping , Gao Sheng , Yan Huaicheng 
Published: July 2023

AbstractThe false data injection (FDI) attack detection problem in cyber‐physical systems (CPSs) is investigated in this paper. A novel attack detection algorithm is proposed based on the ellipsoidal set‐membership approach. In comparison to the existing FDI attack detection methods, the developed attack detection approach in this paper neither requires predefined thresholds nor specific statistical characteristics of the attacks. In order to guarantee that the estimation ellipsoid contains normal states despite the unknown but bounded (UBB) process and measurement noises, the one‐step ellipsoidal set‐membership estimation method is put forward. In addition, a convex optimization algorithm is introduced to calculate the gain matrix of the observer recursively. Moreover, with the help of the state estimation ellipsoid, the residual ellipsoid can be obtained for attack detection. Whether a detector can detect the FDI attack depends on the relationship between the residual value and residual ellipsoidal set. Finally, the effectiveness of the proposed method is demonstrated by a numerical simulation example.
Social, environmental, and economic dimensions of innovation capabilities: Theorizing from sustainable business
Authors: Nascimento Leandro da Silva , da Rosa Juliana Ribeiro , da Silva Athos Ribeiro , Reichert Fernanda Maciel 
Published: July 2023

AbstractAlthough innovation capabilities are essential to increase companies' success and innovative performance, they are still underexplored regarding sustainability. This paper aims to analyze how Technology Development, Operations, Management, and Transaction innovation capabilities are interrelated with sustainable companies' social, environmental, and economic sustainability. We performed a multi‐case study comprising sustainable small enterprises from four industries: sustainable fashion, sustainable hosting, shared furniture, and renewable energy. From the results, we propose that each innovation capability has three dimensions: social, environmental, and economic. Each dimension has a set of components that can differ across capabilities. We then develop a conceptual scheme, a new theoretical lens that intertwines the literature on innovation capabilities and sustainability. We propose the concepts of Sustainable Technology Development Capability, Sustainable Operations Capability, Sustainable Management Capability, and Sustainable Transaction Capability. Our findings can assist sustainable businesses to improve, and traditional companies to build, sustainable innovation capabilities.
Effects of Copper Doping in High‐Rate, Lithium Manganese‐Rich Layered Oxide Cathodes for Lithium‐Ion Batteries
Authors: Cabello Marta , Drewett Nicholas , Aduviri Clara , Villaverde Aitor 
Published: July 2023

AbstractLithium manganese‐rich layered oxides are promising cathode materials for lithium‐ion batteries due to their high discharge capacity, but they suffer from capacity fading and poor rate performance. Herein we report on the physicochemical and electrochemical properties of Li1.15Mn0.7Ni0.2Co0.1O2 synthesized via a sol gel method, and study the effect of copper doping on the resulting materials. Electrochemical testing at 1 C revealed 1 % Cu doping enhanced capacity retention (from 58 % to 78 %) but also decreased capacity, while in contrast 10 % Cu doping increased capacity by 21 %. Thorough characterization (including x‐ray diffraction, scanning electron microscopy, inductively coupled plasma‐optical emission spectroscopy, and electrochemical analyses such as voltage vs. capacity and dQ/dV plots) was employed to understand these results, which may be attributed to the competition of two different phenomena depending on the copper content. Consequently, this work highlights the importance of targeting bespoke stoichiometries depending on the desired electrochemical characteristics – an important point for the future design of materials for fast charging and high power applications.
Mixed‐Valence Tetrametallic Iridium Chains
Authors: Pilar del Río M. , Villarroya B. Eva , López José A. , Geer Ana M. , Lahoz Fernando J. , Ciriano Miguel A. , Tejel Cristina 
Published: July 2023

AbstractNeutral [X−{Ir2}−{Ir2}−X] (X=Cl, Br, SCN, I) and dicationic [L−{Ir2}−{Ir2}−L]2+ (L=MeCN, Me2CO) tetrametallic iridium chains made by connecting two dinuclear {Ir2} units ({Ir2}=[Ir2(μ‐OPy)2(CO)4], OPy=2‐pyridonate) by an iridium–iridium bond are described. The complexes exhibit fractional averaged oxidation states of +1.5 and electronic delocalization along the metallic chain. While the axial ligands do not significantly affect the metal–metal bond lengths, the metallic chain has a significant impact on the iridium–L/X bond distances. The complexes show free rotation around the unsupported iridium‐iridium bond in solution, with a low‐energy transition state for the chloride chain. The absorption spectra of these complexes show characteristic bands at 438–504 nm, which can be fine‐tuned by varying the terminal capping ligands.
Comparative Life Cycle Assessment of Pyrolysis – Recycling Germany's Sorted Mixed Plastic Waste
Authors: Hermanns Ronja , Kraft Axel , Hartmann Philipp , Meys Raoul 
Published: July 2023

AbstractPyrolysis is seen as promising to recycle sorted mixed plastic waste and reduce the global warming impact of the linear plastic economy. However, in Germany, the benefits of pyrolysis are questioned due to a lack of transparent data and regional life cycle assessments. Here, we provide a life cycle assessment of pyrolysis with caustic soda or lime compared to waste incineration with energy recovery. The life cycle assessment evaluates the treatment of 1 kg of Germany's sorted mixed plastic waste while providing full data transparency of the processes. Our results show a reduction in global warming impacts of 60 % to 94 %, considering today's and the future German energy system.
Biochar‐based interfacial evaporation materials derived from lignosulfonate for efficient desalination
Authors: Chen Shilin , Sun Lan , Huang Yuqing , Yang Dongjie , Zhou Mingsong , Zheng Dafeng 
Published: July 2023

AbstractThe solar‐driven interfacial evaporation has attracted great attention for the purpose of alleviating freshwater shortage. Lignosulfonate (LS), a main byproduct of sulfite pulping processes, is an abundant natural resource but has not been reasonably utilized. To mitigate the above problems, biochar‐based interfacial evaporators derived from LS for solar steam generation were studied in this paper. First, LS was used as a raw material for fabricating carbon materials by carbonization to construct LS‐derived carbon (CLS). Meanwhile, LS‐derived porous carbon (PCLS) in the presence of CaCO3 as the activator was also prepared. Next, the two biochar powders, as solar absorbers, were crosslinked with polyvinyl alcohol to prepare the interfacial evaporation materials (PVA@PCLS and PVA@CLS). The open porous structure facilitated the capillary effect and water transport to the evaporator surface. It was also found that the light absorption of the materials could reach more than 97% in the 250–2500 nm range. Moreover, the water evaporation rate and the solar‐to‐vapor conversion efficiency of PVA@PCLS and PVA@CLS were 2.33, 1.82 kg m−2 h−1, and 83.7%, 69.3% respectively under 1 sun (1 kW m−2) irradiation. The solar‐to‐vapor conversion efficiency of PVA@PCLS was much increased after the carbonization of LS. In addition, the material cost of PVA@PCLS is only $38.3/kg due to the low price of LS. Therefore, this work provides an economic and efficient strategy for solar‐driven desalination and a possible way for the high‐value utilization of lignin.
Strong Asymptotics of Planar Orthogonal Polynomials: Gaussian Weight Perturbed by Finite Number of Point Charges
Authors: Lee Seung‐Yeop , Yang Meng 
Published: July 2023

AbstractWe consider the orthogonal polynomialpn(z) with respect to the planar measure supported on the whole complex planewhere dAis the Lebesgue measure of the plane,Nis a positive constant, {c1, …,cν} are nonzero real numbers greater than −1 and are distinct points inside the unit disk. In the scaling limit whenn/N= 1 andn→ ∞ we obtain the strong asymptotics of the polynomialpn(z). We show that the support of the roots converges to what we call the “multiple Szegő curve,” a certain connected curve havingν+ 1 components in its complement. We apply the nonlinear steepest descent method [9,10] on the matrix Riemann‐Hilbert problem of size (ν+ 1) × (ν+ 1) posed in [22]. © 2023 Wiley Periodicals, LLC.
Newton's method revisited: How accurate do we have to be?
Authors: Kjelgaard Mikkelsen Carl Christian , López‐Villellas Lorién , García‐Risueño Pablo 
Published: July 2023

SummaryWe analyze the convergence of quasi‐Newton methods in exact and finite precision arithmetic using three different techniques. We derive an upper bound for the stagnation level and we show that any sufficiently exact quasi‐Newton method will converge quadratically until stagnation. In the absence of sufficient accuracy, we are likely to retain rapid linear convergence. We confirm our analysis by computing square roots and solving bond constraint equations in the context of molecular dynamics. In particular, we apply both a symmetric variant and Forsgren's variant of the simplified Newton method. This work has implications for the implementation of quasi‐Newton methods regardless of the scale of the calculation or the machine.
A New Metal–Organic Complex (Br‐C6H3(I)‐NH2)2CuBr2: Growth and Structural Properties
Authors: Li Ge , Wang Minqiang , Li Xiaolei 
Published: July 2023

AbstractMetal–organic complexes are a class of promising functional materials, especially for thermoelectric materials. Here, for the first time, a new metal–organic complex (Br‐C6H3(I)‐NH2)2CuBr2 is designed and synthesized. (Br‐C6H3(I)‐NH2)2CuBr2 single crystals are obtained via a vapor diffusion method. X‐ray single crystal diffraction results indicate that the material crystallizes in the triclinic system, with the space group P and the following crystal structural data: a = 4.7825(7) Å, b = 8.8072(12) Å, c = 11.4652(16) Å, α = 80.450(5)°, β = 81.699(6)°, γ = 80.824(5)°, V = 466.67(11) Å3, and Z = 1. The structure of packing in the crystal is alternatively arranged composed of inorganic layers of CuBr2 and organic layers of Br‐C6H3(I)‐NH2. The molecular geometries structure of the crystal is discussed via intra and intermolecular interactions and molecular geometry. This work may provide a new material for new emerging high‐performance thermoelectric materials.
Synchronization techniques for underwater acoustic communications
Authors: Sameer Babu T. P. , Ameer P. M. , David Koilpillai R. 
Published: July 2023

SummaryUnderwater acoustic channel is a challenging medium for communication due to the presence of significant multipath, high noise, frequency‐dependent propagation loss, and high and non‐uniform Doppler spread. Doppler shift is non‐negligible in underwater communication due to the low velocity of underwater signals. Synchronization and Doppler estimation are important requirements for achieving good performance in this channel. Synchronization algorithms that give good performance in radio communication do not work well in underwater communication. Hence, this area has received a lot of attention from researchers. This paper surveys important works in the area. The techniques proposed in the literature for frame synchronization, frequency and phase synchronization, and timing synchronization in single carrier communications are reviewed here. The synchronization techniques proposed for OFDM, MIMO OFDM, and spread spectrum communication are also surveyed. Doppler estimation methods proposed in the literature are also reviewed. It is found that most of the recent works in underwater acoustic communication focus on OFDM synchronization. Deep learning‐based methods proposed in the literature are also reviewed. Key open problems and areas that require future research attention in the field of synchronization and Doppler estimation in underwater communications are highlighted in this paper. The area needing most attention of underwater communication researchers was found to be MIMO OFDM due to the difficulty in synchronization in such systems while used in underwater communication. Reducing the computational complexity of the algorithms used is also important for future work. Schemes that work with Doppler due to relative velocity over 10 m/s also need to be developed.