bluuebunny/crossref_metadata_2025_split huggingface dataset:
Isolated‐Oxygen‐Vacancy Hardening in Lead‐Free Piezoelectrics
Authors: Liu Yi‐Xuan , Qu Wanbo , Thong Hao‐Cheng , Zhang Yang , Zhang Yunfan , Yao Fang‐Zhou , Nguyen Trong Nghia , Li Jia‐Wang , Zhang Mao‐Hua , Li Jing‐Feng , Han Bing , Gong Wen , Wu Haijun , Wu Chaofeng , Xu Ben , Wang Ke 
Published: May 2022

AbstractDefect engineering is a well‐established approach to customize the functionalities of perovskite oxides. In demanding high‐power applications of piezoelectric materials, acceptor doping serves as the state‐of‐the‐art hardening approach, but inevitably deteriorates the electromechanical properties. Here, a new hardening effect associated with isolated oxygen vacancies for achieving well‐balanced performances is proposed. Guided by theoretical design, a well‐balanced performance of mechanical quality factor (Qm) and piezoelectric coefficient (d33) is achieved in lead‐free potassium sodium niobate ceramics, whereQmincreases by over 60% whiled33remains almost unchanged. By atomic‐scaleZ‐contrast imaging, hysteresis measurement, and quantitative piezoresponse force microscopy analysis, it is revealed that the improvedQmresults from the inhibition of both extrinsic and intrinsic losses while the unchangedd33is associated with the polarization contributions being retained. More encouragingly, the hardening effect shows exceptional stability with increasing vibration velocity, offering potential in material design for practical high‐power applications such as pharmaceutical extraction and ultrasonic osteotomes.
Interfacially Enhanced Stability and Electrochemical Properties of C/SiOx Nanocomposite Lithium‐Ion Battery Anodes
Authors: Kanaphan Yutthanakon , Klamchuen Annop , Chaikawang Chirapan , Harnchana Viyada , Srilomsak Sutham , Nash Jeffrey , Wutikhun Tuksadon , Treethong Alongkot , Rattana‐amron Tirapote , Kuboon Sanchai , Khemthong Pongtanawat , Liangruksa Monrudee , Meethong Nonglak 
Published: May 2022

AbstractSilica is a promising anode material for high‐energy lithium‐ion batteries (LIBs), but it suffers from several problems. The main issue is low electrical conductivity, which limits its practical applications. Fabricating silica–carbon nanocomposites (C/SiO2) can significantly enhance the electrochemical performance of these materials. In this work, the authors perform first principles calculations to investigate the interfacial properties and electronic structure between carbon and small Si‐based molecules. The simulations suggest that C/SiO2 and C/SiO interfaces facilitate the lithiation process, providing additional lithium storage pathways in addition to the typical phase transitions of SiO2 and SiO. In addition, a simple production and ready to scale‐up method is proposed to fabricate a nanocomposite possessing rich C/SiOx (1 ≤ x ≤ 2) interfaces. The resulting nanocomposite anode has a stable capacity of ~650 mAh g‐1 at a current density of 1 A g‐1 after 1500 cycles with >95% capacity retention. This work provides a better understanding of the Li ion storage mechanisms of C/SiOx. Adding carbon not only increases electrical conductivity and strength, but also provides new pathways for Li‐ion transport through their interfaces contributing to the enhanced stability and electrochemical properties of inexpensive non‐conducting/oxide‐based energy storage materials.
ZnO1−xSx Solid Solution as Potential Buffer Layer Materials for Cu2ZnSnS4‐Based Thin Film Solar Cells: Structural and Interfacial Properties
Authors: Zhang Yi‐Man , Jia Zhan‐Ju , Zhao Zong‐Yan , Zhao Yun‐Kun 
Published: May 2022

AbstractThe current low conversion efficiency of Cu2ZnSnS4 (CZTS)‐based thin film solar cells is mainly blamed on the high carrier recombination via interface states at the absorber‐buffer. In this work, ZnO1−xSx solid solution is exploited as the potential buffer layer materials to solve this issue by using density functional theory calculations. With the varying of solid solubility, the lattice constant of ZnO1−xSx solid solution follows the first‐order Vegard's Law, while its bandgap follows the second‐order Vegard's Law. Based on the systematical analysis of crystal structure and electronic properties of ZnO1−xSx solid solution, ZnO0.375S0.625 is screened as the optimal buffer layer material for CZTS‐based thin film solar cells, owing to the suitable bandgap (2.33 eV) and the smallest lattice mismatch (<7%). The CZTS/ZnO0.375S0.625 interface has less harmful interface state, small conduction band offset (−0.02 eV) and band bending (−0.23 eV). Moreover, its band alignment belongs to the staggered Type‐II heterojunction, and its built‐in electric field is in the same direction as the carrier migration, which is very favorable for the efficient separation and fast transfer of photogenerated carriers. Therefore, these interface features and effects of CZTS/ZnO0.375S0.625 heterojunction can significantly boost the photovoltaic performance of CZTS‐based thin film solar cells.
High‐Quality Monolayer Reduced Graphene Oxide Films via Combined Chemical Reduction and Ethanol‐Assisted Defect Restoration
Authors: De Silva K. Kanishka H. , Shibata Kazuma , Viswanath Pamarti , Huang Hsin‐Hui , Yoshimura Masamichi 
Published: May 2022

AbstractHere, a facile two‐step reduction method is introduced to fabricate reduced graphene oxide (RGO) films with remarkable structural qualities. Many attempts are made to fabricate RGO with high structural qualities resembling pristine graphene. However, designing a reduction method to obtain high‐quality RGO more productively is highly desirable. To address this matter, in the present work, monolayer graphene oxide films are, at first, chemically reduced using a mixture of hydroiodic acid and trifluoroacetic acid vapor within a few minutes. Second, the films are reduced thermally at 800 °C for 30 min with ethanol, to repair the lattice vacancies. Through this method, the authors succeeded in obtaining RGO with high structural quality and electrical properties approaching pristine graphene. Raman spectroscopic results show that these RGO films have a very low ID/IG ratio (0.34), a high IG′/IG ratio (1.34), and sharp Raman peaks, which attribute to a large distance between defects (21 nm) and large crystallite size (56 nm). Further, these monolayer RGO films have high transparency (90%) and very low sheet resistance (0.46 kΩ sq−1). The present versatile two‐step reduction strategy is considered to provide practical advancements in fabricating RGO with high structural quality, as a means to produce graphene‐based electronic devices.
Active Energy‐Efficient Terahertz Metasurfaces Based on Enhanced In‐Plane Electric Field Density
Authors: Gupta Manoj , Singh Ranjan 
Published: May 2022

AbstractSubwavelength confinement of electromagnetic modes in periodic structures is essential to tailor light−matter interaction in space and time. Metamaterials with strong electromagnetic field confinement can be extremely sensitive to surface conditions, thereby enhancing the metadevice response for low‐energy electrical, thermal, and optical stimuli. It is important to note that the total field confinement matters, but the contribution of in‐plane electric field density is critical to efficiently harness and manipulate light via active metasurfaces. The authors experimentally demonstrate a new planar metal–semiconductor hybrid terahertz (THz) metasurface design that shows highly sensitive active THz amplitude modulation towards optical illumination. In the proposed design, in‐plane electric field density has been enhanced by 350% to lower the optical pump fluence requirement for energy‐efficient, active modulation of resonances compared to the conventional inductive‐capacitive resonant metamaterials. Such metasurfaces with large in‐plane electric field density can find many applications in developing ultrasensitive sensors and active THz electrical and optical modulators operational at extremely low energies.
Space Charge Behavior in Epoxy‐Based Dielectrics: Progress and Perspective
Authors: Liu Peng , Xie Zongliang , Pang Xi , Xu Tianlei , Zhang Siyu , Morshuis Peter H. F. , Li He , Peng Zongren 
Published: May 2022

AbstractEpoxy‐based dielectrics are extensively used in grid‐connected energy systems and modern microelectronics as electrical insulation, adhesive, and packaging components. However, space charge accumulation in epoxy‐based dielectrics is a foremost factor threatening device stability and lifespan, especially under conditions of high voltage direct current and high temperatures during long‐term operation, and thus are investigated systematically. This article reviews the state‐of‐the‐art progress in understanding and regulating the space charge behavior of epoxy‐based dielectric materials. The development of space charge measurement techniques is first introduced. Then, experimental observations of macroscopic space charge characteristics in epoxy dielectrics under different conditions, along with the advancement of nanofiller‐doping strategies for improving space charge suppression capabilities, are discussed and emphasized. Afterward, simulation progress based on the bipolar charge transport models and quantum chemistry calculations are summarized to provide some insight from a microscopic perspective. It is concluded by providing a brief summary and highlighting future research opportunities in inhibiting space charge accumulation of epoxy‐based dielectrics for practical applications in power equipment and electronic devices.
C3−H Silylation of Furfurylimines: Direct Access to a Novel Biobased Versatile Synthetic Platform Derived from Furfural
Authors: Curpanen Sebastien , Poli Giovanni , Perez‐Luna Alejandro , Oble Julie 
Published: May 2022

AbstractHerein we report directed iridium‐catalyzed C3−H silylation of furfuryl imines, which grants access to versatile synthetic platforms. This transformation was developed on furfuryl derivatives, using imines as directing groups, and trialkylsilanes or bis(trimethylsilyl)methylsilane as silylating agents, in the presence of a hydride scavenger. Subsequently, fluoride‐mediated activation strategies were applied to the C3−SiMe(OSiMe3)2 furfural derivatives to achieve a wide range of transformations of the C3−Si bond. Arylation, alkenylation, alkynylation, allylation and alkylation, as well as halogenation and trifluoromethylation were achieved in modest to high yields. A variety of high value‐added products were thus easily obtained from the same common C3‐silylated furfural‐based platform.
Plasma MIA, CRP, and Albumin Predict Cognitive Decline in Parkinson's Disease
Authors: Shen Junchao , Amari Noor , Zack Rebecca , Skrinak R. Tyler , Unger Travis L. , Posavi Marijan , Tropea Thomas F. , Xie Sharon X. , Van Deerlin Vivianna M. , Dewey Richard B. , Weintraub Daniel , Trojanowski John Q. , Chen‐Plotkin Alice S. 
Published: May 2022

ObjectiveUsing a multi‐cohort, discovery‐replication‐validation design, we sought new plasma biomarkers that predict which individuals with Parkinson's disease (PD) will experience cognitive decline.MethodsIn 108 discovery cohort PD individuals and 83 replication cohort PD individuals, we measured 940 plasma proteins on an aptamer‐based platform. Using proteins associated with subsequent cognitive decline in both cohorts, we trained a logistic regression model to predict which patients with PD showed fast (> = 1 point drop/year on Montreal Cognitive Assessment [MoCA]) versus slow (< 1 point drop/year on MoCA) cognitive decline in the discovery cohort, testing it in the replication cohort. We developed alternate assays for the top 3 proteins and confirmed their ability to predict cognitive decline – defined by change in MoCA or development of incident mild cognitive impairment (MCI) or dementia – in a validation cohort of 118 individuals with PD. We investigated the top plasma biomarker for causal influence by Mendelian randomization (MR).ResultsA model with only 3 proteins (melanoma inhibitory activity protein [MIA], C‐reactive protein [CRP], and albumin) separated fast versus slow cognitive decline subgroups with an area under the curve (AUC) of 0.80 in the validation cohort. The individuals with PD in the validation cohort in the top quartile of risk for cognitive decline based on this model were 4.4 times more likely to develop incident MCI or dementia than those in the lowest quartile. Genotypes at MIA single nucleotide polymorphism (SNP) rs2233154 associated with MIA levels and cognitive decline, providing evidence for MIA's causal influence.ConclusionsAn easily obtained plasma‐based predictor identifies individuals with PD at risk for cognitive decline. MIA may participate causally in development of cognitive decline. ANN NEUROL 2022;92:255–269
Ein thermomorphes stark eutektisches Lösungsmittelmehrphasensystem für biokatalytische Anwendungen
Authors: Meyer Lars‐Erik , Andersen Mads Bruno , Kara Selin 
Published: May 2022

AbstractIn dieser Studie wurde die Anwendbarkeit eines thermomorphen Mehrphasensystems in Verbindung mit homogener Biokatalyse untersucht. Dabei bestand das thermomorphe Mehrphasensystem einerseits aus einem hydrophoben, stark eutektischen Lösungsmittel und andererseits aus einem wässrigen Kaliumphosphatpuffer. Wir fanden einen Phasenwechsel mit unterer kritischer Lösungstemperatur. Ein auf Lidocain basierendes stark eutektisches Lösungsmittel mit der Fettsäure Ölsäure als Wasserstoffbrückenbindungsdonor wurde dabei eingesetzt. Entsprechende Phasendiagramme wurden bestimmt und im Rahmen dieser Studie vorgestellt. Wir testeten die Auswirkung verschiedener zusätzlicher Komponenten zum Lösungsmittelsystem und beobachteten eine Abnahme des Trübungspunkts um ca. 0.026 °C pro Konzentrationseinheit. Des Weiteren konnte eine klare Anreicherung des Proteins in der wässrigen Pufferphase bestimmt werden (>95 %), während sich das hydrophobe Substrat und das Edukt zu >95 % in der stark eutektischen Lösungsmittelphase akkumulierten. Schließlich wurde eine durch Pferdeleberalkoholdehydrogenase katalysierte Reduktion im größeren Maßstab durchgeführt, wobei der Biokatalysator durch ein einfaches Abnehmen der stark eutektischen Lösungsmittelphase in drei Durchgängen wiederverwendet werden konnte.
Tailoring Coordination in Conventional Ether‐Based Electrolytes for Reversible Magnesium‐Metal Anodes
Authors: Zhao Wanyu , Pan Zhenghui , Zhang Yijie , Liu Yuan , Dou Huanglin , Shi Yayun , Zuo Zhijun , Zhang Bowen , Chen Jianping , Zhao Xiaoli , Yang Xiaowei 
Published: May 2022

AbstractRechargeable magnesium (Mg) batteries based on conventional electrolytes are seriously plagued by the formation of the ion‐blocking passivation layer on the Mg metal anode. By tracking the Mg2+ solvation sheath, this work links the passivation components to the Mg2+‐solvents (1,2‐dimethoxyethane, DME) coordination and the consequent thermodynamically unstable DME molecules. On this basis, we propose a methodology to tailor solvation coordination by introducing the additive solvent with extreme electron richness. Oxygen atoms in phosphorus‐oxygen groups compete with that in carbon‐oxygen groups of DME for the coordination with Mg2+, thus softening the solvation sheath deformation. Meanwhile, the organophosphorus molecules in the rearranged solvation sheath decompose on the Mg surface, increasing the Mg2+ transport and electrical resistance by three and one orders of magnitude, respectively. Consequently, the symmetric cells exhibit superior cycling performance of over 600 cycles with low polarization.
Stereocontrolled Pericyclic and Radical Cycloaddition Reactions of Readily Accessible Chiral Alkenyl Diazaborolidines
Authors: Zhang Mingkai , Xu Peilin , Vendola Alex J. , Allais Christophe , Dechert Schmitt Anne‐Marie , Singer Robert A. , Morken James P. 
Published: May 2022

AbstractIn this paper is described an easily synthesized chiral diazaborolidine that is inexpensive, stable, and provides excellent stereoselection across a number of reaction classes. These versatile compounds possess utility in four different classes of cycloaddition reactions, offering good yield and stereoselectivity. X‐ray structure analysis provides insight about the origin of stereocontrol.
Preparation of self‐adhesive microcapsules and their application in functional textiles
Authors: Tian Yulei , Huang Xin , Cheng Ying , Niu Yunwei , Meng Qingran , Ma Jiajia , Zhao Yi , Kou Xingran , Ke Qinfei 
Published: May 2022

AbstractThis work is devoted to the preparation of self‐adhesive microcapsules and their mechanism of mutual sway with cotton fabrics. Chitosan oligosaccharide (COS) microcapsules were prepared by ionic gelation method and encapsulated with functional substances (lavender oils) to obtain microcapsules with multiple properties (aromatic). The textile auxiliary guar gum (GG) induce the microcapsules to aggregate into a network structure, which increases the chance of microcapsule adhesion on cotton fabrics. Fe3+ further enhance the binding of microcapsules to cotton fabrics through coordination, while ethylenediaminetetraacetic acid (EDTA) can disrupt this binding, thus achieving controlled self‐adhesion. During the five self‐adhesive cycles, the weight gain rate of the microcapsules was 16.00%–17.00% and aromatic content between 0.600–0.700 mg/g when they adhered to the cotton fabric by coordination. After EDTA disrupted the adhesion of the microcapsules, the weight gain rate became 3.00%–3.50% and the content of aromatic was 0.041–0.058 mg/g. Therefore, the microcapsules prepared in this study can achieve multiple recyclable adhesion and de‐adhesion on cotton fabrics by Fe3+ and EDTA, providing new ideas for functionalization and diversification of textiles.
The secondUSpresidential social media transition: How private platforms impact the digital preservation of public records
Authors: Kriesberg Adam , Acker Amelia 
Published: May 2022

AbstractA second presidential social media transition in the United States occurred as Joe Biden took office on January 20, 2021. In the years since Barack Obama pioneered the use of platforms like Facebook and Twitter while President, Donald Trump shaped his Presidency around the use of Twitter, primarily through a personal account created before entering politics. In this paper, we examine Donald Trump's use of Twitter during his presidency as a lens through which to understand the ongoing archival preservation and data management challenges posed by social media platforms. The blurred lines between public and private records, deleting tweets, and the preservation issues that appeared after his suspension from Twitter and other platforms following the January 6, 2021 insurrection at the US Capitol all highlight an urgent, ongoing need by archivists, digital preservationists, and information scholars to consider how we might collect and manage social media records in an ever‐changing information landscape. This paper draws primarily on publicly available information from existing preservation initiatives to analyze the state of digital preservation for presidential records. Our findings highlight how both public and private entities manage and provide access to Donald Trump's tweets, pointing to broader implications for social media data preservation.
Sensorintegrierte Digitale Zwillinge für das automatisierte Monitoring von Infrastrukturbauwerken
Authors: Smarsly Kay , Dragos Kosmas , Kölzer Thomas 
Published: May 2022

AbstractDas automatisierte Bauwerksmonitoring auf Basis Digitaler Zwillinge hat sich als eine zeit‐ und kostengünstige Ergänzung zu manuellen Inspektionen bewährt, um ein vorausschauendes, prädiktives Instandhaltungsmanagement von Infrastrukturbauwerken zu gewährleisten. Digitale Zwillinge verknüpfen Sensordaten mit digitalen Modellen und Algorithmen, sodass Zustands‐ und Bestandsinformationen generiert und den Entscheidungsträgern in Echtzeit zur Verfügung gestellt werden können. Üblicherweise ist ein Digitaler Zwilling jedoch als sogenannte Single Source of Truth in Form zentraler Modelle auf einem zentralen Server situiert, sodass sehr große Datenmengen von den Sensoren vor Ort zum zentralen Server gesendet werden und der Server bei einem Ausfall das gesamte Monitoring zum Erliegen bringen würde. Im vorliegenden Beitrag werden die Ergebnisse einer Machbarkeitsstudie vorgestellt, in der Digitale Zwillinge nicht mehr nur als Zentralmodell realisiert, sondern als digitale Modelle mit Algorithmen direkt in die Sensoren eingebettet werden. Jeder Sensor enthält damit einen partiellen Digitalen Zwilling seiner Umgebung, der mit den Digitalen Zwillingen weiterer Sensoren kommuniziert, sodass sich durch die Summe der einzelnen Modelle ein vollwertiger Digitaler Zwilling des gesamten Bauwerks ergibt. Die Machbarkeitsstudie wird beispielhaft anhand eines drahtlosen Bauwerksmonitoringsystems umgesetzt und dessen Praktikabilität am Monitoring einer Fußgängerbrücke aufgezeigt.
Prognostic value of the systemic inflammation response index in patients with acute ischemic stroke
Authors: Zhou Yaping , Zhang Yidi , Cui Mingming , Zhang Yuming , Shang Xiuli 
Published: May 2022

AbstractObjectivesInflammation plays an essential role in acute ischemic stroke (AIS). Recent studies have recognized the systemic inflammation response index (SIRI) as a useful index to indicate inflammation status and predict the prognosis of multiple diseases. However, the relationship between SIRI and AIS prognosis is unclear. Our study is aimed to investigate the association between SIRI and the prognosis of AIS.MethodsOur study prospectively recruited 287 consecutive patients with first‐ever stroke within 72 h after stroke. Demographic and clinical information was collected at baseline. The functional prognosis was assessed 3 months after AIS using the modified Rankin Scale (mRS). A poor outcome was defined as mRS > 2. SIRI was calculated as neutrophil × monocyte/lymphocyte count. Univariate and multivariate analyses were introduced to identify the association between SIRI and AIS prognosis. Receiver operating characteristic curve and reclassification analyses were used to evaluate the predictive value of SIRI for AIS prognosis.ResultsThe patients with poor prognosis account for 27.5% of all participants. After fully adjusting for all covariates, each standard deviation increment of SIRI caused 58.9% additional risk for poor prognosis after AIS. When dividing SIRI into quartiles, the fourth quartile had a 6.152 times risk than the first quartile. Moreover, after adding SIRI into established clinical risk factors, AUC showed a significant improvement (0.829 vs. 0.790, p for comparison = .016). Consistently, category‐free net reclassification index (NRI, 0.761, 95% CI: 0.517–1.004, p < .001) and integrated discrimination index (IDI, 0.093, 95% CI: 0.0512–0.134, p < .001) confirmed the improvement by SIRI to predict poor prognosis of AIS,ConclusionSIRI is an independent prognostic indicator for AIS. Elevated SIRI is associated with poor functional outcome of AIS. Our findings suggest the usefulness of SIRI to refine the risk stratification of unfavorable prognosis of AIS.