bluuebunny/crossref_metadata_2025_split huggingface dataset:
Catalytic Synergies in Bimetallic RuPt Single–Atom Catalysts via Speciation Control
Authors: Giulimondi Vera , Ruiz–Ferrando Andrea , Clark Adam H. , Kaiser Selina K. , Krumeich Frank , Martín Antonio J. , López Núria , Pérez–Ramírez Javier 
Published: September 2022

AbstractBimetallic single–atom catalysts (b–SACs) have recently gained prominence by virtue of the unique catalytic cooperative interactions they can exhibit, intertwining electronic and geometric effects. To date, research efforts have exclusively focused on direct mechanisms such as electron density transfer or sequential reactivity. Herein, the first study on indirect, coordination–induced catalytic synergies in carbon‐supported RuPt SACs is conducted. To this end, a holistic approach is developed, combining i) precision synthesis, ii) advanced characterization, iii) exploration of single–site adsorption properties via the hydrogen evolution reaction, and iv) modeling through density functional theory. Despite the lack of both intermetallic coordination in the first or second shell and charge redistribution effects, the RuPt SACs exhibit a H2 formation rate enhanced up to 15–fold compared with their monometallic counterparts. To unfold the origin of the intermetallic cooperativity, modifications of the structural and catalytic properties induced by the integration of a second metal species are investigated. Thus, Pt atoms are found to selectively occupy the most energeticallyfavorable cavities in the support, prompting Ru atoms to assume a distinct, more active, configuration. This contribution unveils a novel principle of bimetallic cooperativity, demonstrating the key role of integrative experimental and computational analyses in studying b–SACs.
Barrierless Exciton Self‐Trapping and Emission Mechanism in Low‐Dimensional Copper Halides
Authors: Xing Zengshan , Zhou Zhicong , Zhong Guohua , Chan Christopher C. S. , Li Yanyan , Zou Xinhui , Halpert Jonathan E. , Su Haibin , Wong Kam Sing 
Published: September 2022

AbstractLow‐dimensional copper halides having nontoxic elements are attracting increasing attention for their peculiar emission properties. Self‐trapped excitons (STEs) account for their high photoluminescence quantum yields (PLQYs) with emission that can stretch across the entire visible spectrum. However, intrinsic factors that influence the formation or loss of the emissive species in low‐dimensional copper halides remain elusive. Here, a comprehensive study on the STE formation dynamics of one‐dimensional CsCu2I3 and zero‐dimensional Cs3Cu2I5 is presented. It is found from STE kinetic analysis that a slower STE formation demonstrated by the 1D structure is not hindered by a potential barrier, but instead related to the number of phonons released in the self‐trapping process. It is further revealed that in 1D CsCu2I3, the non‐radiative recombination of STEs mainly occurs via the intersection between the STE state and the ground state in the configuration coordinate diagram, placing an intrinsic limit on the PLQY at room temperature. These findings show that the STE formation is affected by both the self‐trapping depth and the phonon energy as opposed to a potential barrier in low‐dimensional copper halides. The better understanding of STE formation and recombination processes provide basis for improving design and performance for broadband light emitting devices.
A Genetically Engineered Biofilm Material for SARS‐CoV‐2 Capturing and Isolation
Authors: Özkul Gökçe , Kehribar Ebru Şahin , Ahan Recep Erdem , Köksaldı İlkay Çisil , Özkul Aykut , Dinç Bedia , Aydoğan Sibel , Şeker Urartu Özgür Şafak 
Published: September 2022

AbstractThe novel severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) is continuously infecting people all around the world since its outbreak in 2019. Studies for numerous infection detection strategies are continuing. The sensitivity of detection methods is crucial to separate people with mild infections from people who are asymptomatic. In this sense, a strategy that would help to capture and isolate the SARS‐CoV‐2 virus prior to tests can be effective and beneficial. To this extent, genetically engineered biomaterials grounding from the biofilm protein of Escherichia coli are beneficial due to their robustness and adaptability to various application areas. Through functionalizing the E. coli biofilm protein, diverse properties can be attained such as enzyme display, nanoparticle production, and medical implant structures. Here, E. coli species are employed to express major curli protein CsgA and Griffithsin (GRFT) as fusion proteins, through a complex formation using SpyTag and SpyCatcher domains. In this study, a complex system with a CsgA scaffold harboring the affinity of GRFT against Spike protein to capture and isolate SARS‐CoV‐2 virus is successfully developed. It is shown that the hybrid recombinant protein can dramatically increase the sensitivity of currently available lateral flow assays for Sars‐CoV‐2 diagnostics.
All‐Solid‐State Synthesis of High‐Performance Electrocatalysts for Oxygen Reduction Reaction Derived From g‐C3N4 and Cobalt Phthalocyanine
Authors: Wang Yaping , Liu Meiyang , Zhang Yi , Yi Qingfeng , Yi Ruowei 
Published: September 2022

AbstractHerein, a combined method for planetary ball milling and pyrolysis of g‐C3N4/cobalt phthalocyanine mixture to synthesize Co nanoparticles loaded on CN nanosheets (g‐C3N4@CoPc‐x with different mass ratios x of g‐C3N4:CoPc) is proposed. The synthesized catalysts exhibit a unique 3D open sheet‐like structure, and the average size of Co particles is 4.45 nm while encouragingly, a small amount of quasi single‐atom cobalt (mean particle size 0.5 nm) is also found in the samples. In addition, the mass ratio of g‐C3N4 to CoPc presents a significant effect on ORR activity of the samples. Among the samples, g‐C3N4@CoPc‐3 shows excellent ORR performance with the onset potential of 0.94 V in neutral condition and the half‐wave potential of 1.00 V in alkaline condition, both better than Pt/C. Its onset potentials in acidic (0.83 V) and alkaline (1.07 V) conditions are also comparable to Pt/C. In a full pH range (acidic, alkaline, and neutral) electrolyte, the prepared samples catalyze ORR via a direct four‐electron reaction pathway, and the C3N4@CoPc‐3 reveals high catalytic stability and high anti‐alcohol tolerance. Results provide wide feasibility for the synthesis and application of g‐C3N4@CoPc‐3 in fuel cells.
Polymetallic Hybrid Nanoplatform with Hyperthermia‐Amplified Dual Enzyme‐Like Activities for Efficient Speeded‐Up Bacterially Infected Wound Healing
Authors: He Xiaojun , Deng Zaian , Hou Ji‐Ting , Sun Xiaoshuai , Jiang Danfeng , Kwon Nahyun , Ye Lisong , Obeng Enoch , Hu Rongdang , Wang Yi , Zan Xingjie , Yoon Juyoung , Shen Jianliang 
Published: September 2022

AbstractAntibiotic‐independent artificial nanozymes exhibit excellent biocatalytic activity, and can generate sufficient reactive oxygen species (ROS) for potential applications in the field of anti‐infective therapy. However, single nanozymes often catalyze the production of ROS with low yield and low utilization, resulting in low antibacterial activity. To address the above refractory concern, a spike‐like surface nanoparticles (CAC NPs) platform is built that possesses intrinsic dual enzyme‐like (oxidase and peroxidase‐like) activities and photothermal conversion capacity with near‐infrared irradiation (NIR‐I) to quickly capture and effectively eliminate the bacteria and biofilm. Upon NIR‐I irradiation, CAC NPs have exerted an excellent biocatalytic antibacterial effect through a hyperthermia‐amplified dual enzyme‐like activities strategy. As predicted, the results show CAC NPs can eradicate bacteria in the subcutaneous tissues of mice and promote the healing of inflamed tissues with no significant side effects in vivo. Collectively, this work reveals the potential of NIR‐assisted dual enzyme‐like activities for antimicrobial therapy and provides broad prospects for antimicrobial drugs and strategies.
Exploring the Generality of PVP‐Assisted Phase Transfer of Nanoparticles
Authors: Xue Feng , Zhang Aodi , Peng Xudong , Zhou Shiyan , Feng Guoxu , Chen Hongyu , Wang Hong 
Published: September 2022

AbstractFor most nanoparticles, the synthetic environment usually differs from the application environment, making phase transfer a critical bottleneck in the exploration of nanotechnology. Herein, a general phase transfer method by using polyvinyl pyrrolidone (PVP) and an intermediate solvent is demonstrated. A variety of nanoparticles can be transferred into different media, such as water, polar organic solvent, nonpolar solvent, and polymer precursor, while maintaining their colloidal stability. In the traditional methods of two‐phase transfer, the initial solvent is a powerful competitor, which greatly limits the window of applicable conditions. A two‐step approach where the incubation with the intermediate solvent removes the initial solvent and allows sufficient time for ligand exchange is designed. This avoids the complications caused by partial ligand exchange at the limited area of the interface. Such a method of general phase transfer to different solvents and the understanding of the underlying mechanism would broaden the application of nanomaterials.
RuH‐Catalyzed Synthesis of 1,3‐Diaryl Ketones via Cross‐Coupling of Aromatic Enones with Aromatic Aldehydes and Mechanistic Insights
Authors: Kuwahara Takashi , Fukuyama Takahide , Picard Baptiste , Ryu Ilhyong 
Published: September 2022

AbstractRuHCl(CO)(PPh3)3‐catalyzed cross‐coupling of alkenyl ketones with aldehydes has been extended to the synthesis of 1,3‐diaryl 1,3‐diketones. The reaction has been successfully applied to the synthesis of PPT (propyl pyrazole triol), a selective estrogen receptor modulator compound. A study of the stoichiometric reaction of phenyl vinyl ketone with RuHCl(CO)(PPh3)3 has revealed that the β‐ruthenium ketone PhCOCH2CH2RuCl(CO)(PPh3)2, a five‐membered ruthenacycle is formed with liberation of one molecule of PPh3. The observed catalytic activity of this ruthenacycle in the presence of PPh3 suggests that it serves as a resting state, in equilibrium with an oxa‐π‐allyl ruthenium species, which is the key coupling partner with aldehyde substrates.magnified image
Distribution of core content coverage among three popular emergency medicine podcasts: A 10‐year analysis
Authors: Mannix Alexandra , Rehman Maham , Saak Julia , Gore Katarzyna , Parsons Melissa , Gottlieb Michael 
Published: September 2022

AbstractObjectivePodcasts are increasingly utilized as educational tools within emergency medicine (EM). As EM residency programs seek to incorporate asynchronous educational material, it is important to ensure we are covering the full breadth of EM core content. This study sought to describe the distribution of EM core content among three popular EM podcasts.MethodsWe performed a retrospective study of the distribution of podcast topics among three popular EM podcasts from July 2011 to June 2021. We evaluated the podcast episode content and alignment with the EM core content, as defined by the Model of the Clinical Practice of Emergency Medicine (MCPEM) and American Board of Emergency Medicine (ABEM) examination distribution. Data are presented descriptively.ResultsWe identified 2759 podcast episodes, consisting of 7413 total topics and 2498.7 hours of content. The most frequently covered topics were “signs, symptoms, and presentations” (20.1% of total hours vs. 7.9% of MCPEM and 10.0% of ABEM exam) and “procedures and skills integral to the practice of emergency medicine” (14.8% of total hours vs. 8.1% of MCPEM and 8.0% of ABEM exam). The least frequently covered topics was were “immune system disorders”(0.5% of total hours vs. 2.0% of MCPEM and 2.0% of ABEM exam),“environmental disorders”(0.8% of total hours vs. 2.4% of MCPEM and 2.0% of ABEM exam), “obstetrics and gynecology” (1.0% of total hours vs. 5.4% of MCPEM and 3.0% of ABEM exam), and “cutaneous disorders” (0.9% of total hours vs. 4.3% of MCPEM and 3.0% of ABEM exam).ConclusionsOur findings suggest an imbalance of MCPEM core content in three popular EM podcasts.
Von lokalen kovalenten Bindungen zu langreichweitigen elektrischen Wechselwirkungen der Protonenhydratation
Authors: Ekimova Maria , Kleine Carlo , Ludwig Jan , Ochmann Miguel , Agrenius Thomas E. G. , Kozari Eve , Pines Dina , Pines Ehud , Huse Nils , Wernet Philippe , Odelius Michael , J. Nibbering Erik T. 
Published: September 2022

AbstractScheinbar einfache und doch überraschend schwierig ist die Untersuchung überschüssiger Protonen in Wasser, die ein komplexes Quantenobjekt mit starken Wechselwirkungen zum ausgedehnten und sich dynamischen ändernden Wasserstoffbrücken‐Netzwerk der Flüssigkeit darstellen. Die auftretende Protonenhydratation spielt eine entscheidende Rolle im Energietransport von Brennstoffzellen und bei der Signalübertragung in Transmembranproteinen. Während Geometrie und Stöchiometrie bereits umfangreich in Experimenten und in der Theorie adressiert worden sind, ist die elektronische Struktur dieser spezifischen hydratisierten Protonenkomplexe bisher Verborgenen geblieben. In dieser Studie zeigen wir, Schicht für Schicht, wie der Einsatz neuer Flachstrahltechnologie für akkurate röntgenspektroskopische Messungen in Kombination mit Infrarot‐Spektralanalyse sowie Berechnungen es uns ermöglicht, orbitalspezifische spektrale Signale zu finden, die es erlauben zwei Haupteffekte in der elektronsichen Struktur zu unterscheiden: Lokale Orbitalwechselwirkungen bestimmen kovalente Bindungen zwischen dem Proton und den benachbarten Wassermolekülen, während Verschiebungen der Orbitalenergien ein Maß für die Stärke des langreichweitigen elektrischen Feldes des Protons sind.
From Local Covalent Bonding to Extended Electric Field Interactions in Proton Hydration
Authors: Ekimova Maria , Kleine Carlo , Ludwig Jan , Ochmann Miguel , Agrenius Thomas E. G. , Kozari Eve , Pines Dina , Pines Ehud , Huse Nils , Wernet Philippe , Odelius Michael , Nibbering Erik T. J. 
Published: September 2022

AbstractSeemingly simple yet surprisingly difficult to probe, excess protons in water constitute complex quantum objects with strong interactions with the extended and dynamically changing hydrogen‐bonding network of the liquid. Proton hydration plays pivotal roles in energy transport in hydrogen fuel cells and signal transduction in transmembrane proteins. While geometries and stoichiometry have been widely addressed in both experiment and theory, the electronic structure of these specific hydrated proton complexes has remained elusive. Here we show, layer by layer, how utilizing novel flatjet technology for accurate x‐ray spectroscopic measurements and combining infrared spectral analysis and calculations, we find orbital‐specific markers that distinguish two main electronic‐structure effects: Local orbital interactions determine covalent bonding between the proton and neigbouring water molecules, while orbital‐energy shifts measure the strength of the extended electric field of the proton.
Poly(ethylene oxide)‐Based Composite Electrolyte with Lithium‐Doped High‐Entropy Oxide Ceramic Enabled Robust Solid‐State Lithium‐Metal Batteries
Authors: Liu Weijie , Jiang Jianbo , Yang Zhihao , Liu Yang , Yang Zhengfei , Bu Manman , Liao Shuangxiong , Wu Weiying , Huang Tieqi , Sang Shangbin , Liu Hongtao 
Published: September 2022

AbstractSolid polymer electrolytes using poly(ethylene oxide) (PEO) as matrix are mostly applied due to the superior Li+ transfer ability of oxyethyl chain. However, the high crystallinity, low oxidation potential window, and insufficient mechanical strength hinder PEO deployment in solid‐state batteries. Here, a novel composite solid electrolyte combined PEO with a lithium‐doped high‐entropy oxide (Li0.25HEO) ceramic powder is presented, which exhibits excellent properties for solid‐state lithium metal battery applications. On one hand, the rich oxygen vacancies of Li0.25HEO surface are favorable to capturing anionic groups (e. g. TFSI−), reinforcing the Li+ dissociation. On the other hand, Li0.25HEO with abundant Lewis acid sites markedly promotes the PEO oxidation potential window. Additionally, the incorporation of Li0.25HEO ceramic powder can effectively inhibit the PEO crystallization and enhance the mechanic strength of the composite electrolyte as well. The assembled solid‐state lithium metal battery based on the composite solid electrolyte exhibits high rate capacity and durable cycle performance, showing potential development and application prospects.
Non‐Noble Metal‐Catalyzed Carbonylative Multi‐Component Reactions
Authors: Xu Jian‐Xing , Wang Le‐Cheng , Wu Xiao‐Feng 
Published: September 2022

AbstractCarbonylative multi‐component reactions (CMCR), having four or more kinds of starting materials, provide an efficient strategy for the preparation of polyfunctional carbonylated compounds. Diverse CMCR utilizing non‐noble transition‐metal catalysts have been developed. This review summarized and discussed the recent advances in non‐noble metal‐catalyzed carbonylative multi‐component reactions.
Taranga DR1: Analysis of TESS Short Cadence data for years 1 and 2
Authors: Nandakumar Sangeetha , Barbieri Mauro , Tregloan‐Reed Jeremy 
Published: September 2022

AbstractTESS (Transiting Exoplanet Survey Satellite) was launched in 2018 with the purpose of observing bright stars in the solar neighborhood to search for transiting exoplanets. After the completion of the 2‐year nominal mission, TESS has provided 2 min cadence photometry of over 200,000 stars. This large collection of light curves opens the possibility to study the statistical and temporal properties of this ensemble of stars. Most of the currently available data pipelines are designed to work on single sector at a time. We present a new TESS data pipeline called Taranga, with the purpose of merging multi‐sector light curves, while performing a period search for all the observed stars, and stores the statistical results in a database. Taranga pipeline has three components which (a) processes the PDCSAP fluxes of each sector and creates merged PDCSAP light curve, (b) performs a similar operation on the SAP fluxes, and (c) generates the periodograms of the merged SAP and PDCSAP light curves while performing peak identification. For all the 232,122 stars observed in Short Cadence in the nominal TESS mission, we provide the merged PDCSAP and SAP light‐curves along with their periodograms. We provide a database that has the statistics of all the results produced from Taranga of these stars.
Cyber‐harassment victimization of Portuguese adolescents: A lifestyle‐routine activities theory approach
Authors: Vale Maria , Pereira Filipa , Spitzberg Brian H. , Matos Marlene 
Published: September 2022

AbstractCyber‐harassment refers to a pattern of repeated, intentional, and unwanted annoyances, impositions, threats, or other aggravating actions mediated by Information and Communication Technologies. Globally, substantial proportions of adolescents experience cyber‐harassment, resulting in a host of deleterious health‐related consequences. This study tested the empirical utility of the Lifestyle‐Routine Activities Theory in accounting for adolescent cyber‐victimization. A representative sample of 627 adolescents, aged 12–16, enrolled in schools from northern Portugal and Azores, were surveyed. Consistent with the theoretical assumptions, older adolescents, who used tablets, published information on social network profiles, added unknown people as friends, met face‐to‐face with them, and had parents with less knowledge of their online contacts were at increased risk of being cyber‐victimized. Theoretical and practical implications are elaborated.
Investigation the Ductility of Corrugated Embedded Shear Connectors Through Push‐out Tests
Authors: Németh Gábor , Kovács Nauzika 
Published: September 2022

AbstractThe most widely used shear connector of steel‐concrete composite beams is the well‐known headed stud and it can be used for innovative bridge girders with trapezoidal webs embedded in concrete slab as well by horizontally placing the studs on the embedded steel part. Another option for trapezoidal web girders is the closed or open cuts on the corrugated web profile with rebars. In literature, experimental tests and investigation of these kind of shear connectors of embedded steel webs can be found. The focus of the research presented in the paper is on the ductility of embedded trapezoidal corrugated webs with additional mechanical shear connectors. Previous researches have already found that these kind of innovative shear connections have a really advantageous ductile behavior, however further analysis is useful to confirm and investigate their behavior in more details. Force‐displacement diagrams of push‐out experiments of corrugated steel profiles embedded into concrete slab are published in literature and those diagrams serve as a basis of this study. Both elastic and plastic phases of the curves are evaluated, also ductility is analyzed according to the principles of Eurocode.
Experimental Investigation of Shear Effects in Ultra‐Lightweight Concrete Encased CFS Structural Members
Authors: Hegyi Péter , Horváth László , Dunai László , Ghazi Al‐Abedi Ahmed Mohammed 
Published: September 2022

AbstractA building system, promising cost‐efficient residential buildings, is under development. The system uses cold‐formed steel as load‐bearing member and encases it in polystyrene aggregate concrete, a special ultra‐lightweight concrete, which plays building construction roles, and provides increment of load‐bearing capacity, too. Previous research was focusing on individual member design for axial and flexural effects. In order to provide 3D rigidity for buildings horizontal effects (wind load, earthquake, imperfections) should also be considered. The load transfer of the investigated structural system is significantly different for horizontal and vertical (gravitational) actions thus the previously derived design method has to be expanded to describe the resistance against horizontal actions. This paper briefly introduces the building system and deals with some of the components necessary for providing 3D rigidity. Shear panel tests were carried out in order to identify the stiffness, failure mode and load‐bearing capacity of panels. Then two types of panel connection were investigated: (i) slab‐to‐wall, and (ii) wall‐to‐wall. Tests aimed to study the failure mode and load‐bearing capacity of joints. Test‐based design values were determined based on measured data.