bluuebunny/crossref_metadata_2025_split huggingface dataset:
Linearly Manipulating Color Emission via Anion Exchange Technology for High Performance Amplified Spontaneous Emission of Perovskites
Authors: Liu Nian , Luo Haoyue , Wei Xiaoyan , Zeng Xin , Yang Jie , Huang Yexiong , Yu Peng , Wang Yanping , Zhang Dingke , Pi Mingyu , Liu Xinfeng 
Published: December 2023

AbstractThe most attractive advantages of all‐inorganic cesium lead halide perovskites are their optical gain over broad spectral ranges through the visible spectrum, so are well suited to use in tunable lasers or broadband amplifiers. Most reported anion exchange reactions face a challenge to achieve the desired halogen‐variable perovskites due to rapid and uncontrollable reactions and difficulty to synthesize directly. In this study, a simple vapor/solid anion exchange strategy is demonstrated for controlling the reaction process and realizing a wide range tuning of band gap and amplified spontaneous emission (ASE) wavelength, which exhibits a temperature‐dependent anion exchange rate. By optimizing the reaction temperature at 90 °C, the ASE wavelength can be linearly manipulated by just controlling the reaction time. A clear quantitative relationship between ASE peak position and reaction time is achieved. Compares with the CsPbClBr2 film obtained via the liquid phase anion exchange method, the fabricated perovskite films obtained by vapor/solid anion exchange technology exhibit superior film quality and enhanced ASE performance. This work may have applications in the future using facile and controllable techniques to develop high‐quality full‐color visible lasers.
Nature of the Active Ni State for Photocatalytic Hydrogen Generation
Authors: Schubert Jasmin S. , Doloszeski Eva , Ayala Pablo , Myakala Stephen Nagaraju , Rath Jakob , Fickl Bernhard , Giesriegl Ariane , Apaydin Dogukan H. , Bayer Bernhard C. , Kashiwaya Shun , Cherevan Alexey , Eder Dominik 
Published: December 2023

AbstractThermal treatments can have detrimental effects on the photocatalytic hydrogen (H2) evolution performance and impact the formation mechanism of the active state of surface‐supported co‐catalysts. In this work, a range of Ni‐based co‐catalysts is investigated immobilized on TiO2, evaluated their H2 evolution rates in situ over 21 h, and analyzed the samples at various stages with a comprehensive set of spectroscopic and microscopy techniques. It is found that achieving the optimal hydrogen evolution (HER) performance requires the right Ni0:Ni2+ ratio, rather than only Ni0, and that Ni needs to be weakly adsorbed on the TiO2 surface to create a dynamic state. Under these conditions, Ni can undergo an efficient redox shuttle, involving the transformation of Ni2+ to Ni0 and back after releasing the accumulated electrons for H+ reduction (i.e., Ni2+ ↔ Ni0). Yet, when the calcination temperature of the Ni/TiO2 photocatalysts increases, resulting in stronger coordination/adsorption of Ni on TiO2, this process is gradually inhibited, which ultimately leads to decreased HER performances. This work emphasizes the significance and influence of thermal treatments on the Ni active state formation – a process that can be relevant to other HER co‐catalysts.
Recent Advances in Functional Fabric‐Based Wearable Supercapacitors
Authors: Khadem Ashfaqul Hoque 
Published: December 2023

AbstractWith the advent of wearable electronics, the urge to devise new and flexible energy storage devices to power up wearable systems has steadily risen over the past few decades. Wearable fabric‐based supercapacitors have emerged as a fantastic solution for powering up these systems. Functionalizing fabric surfaces with electroactive materials has proven to be the ideal way to fabricate high‐performance wearable supercapacitors. In this review, the recent progress in functional fabric‐based wearable supercapacitors is summarized. The article begins with the introduction of different fabric structures and outlining the functional materials implemented in wearable supercapacitors. The emphasis shifts toward summarizing the fabrication of functional fabric‐based electrodes according to different fabric architectures. Then, different novel fabric‐based supercapacitor configurations, the current state of integration, and the durability of such devices are analyzed. The review is concluded by emphasizing the existing drawbacks, envisaging potential applications, and, most importantly, the future perspective of the technology.
Superconductivity in the High‐Entropy Ceramics Ti0.2Zr0.2Nb0.2Mo0.2Ta0.2Cx with Possible Nontrivial Band Topology
Authors: Zeng Lingyong , Hu Xunwu , Zhou Yazhou , Boubeche Mebrouka , Guo Ruixin , Liu Yang , Luo Si‐Chun , Guo Shu , Li Kuan , Yu Peifeng , Zhang Chao , Guo Wei‐Ming , Sun Liling , Yao Dao‐Xin , Luo Huixia 
Published: December 2023

AbstractTopological superconductors have drawn significant interest from the scientific community due to the accompanying Majorana fermions. Here, the discovery of electronic structure and superconductivity (SC) in high‐entropy ceramics Ti0.2Zr0.2Nb0.2Mo0.2Ta0.2Cx (x = 1 and 0.8) combined with experiments and first‐principles calculations is reported. The Ti0.2Zr0.2Nb0.2Mo0.2Ta0.2Cx high‐entropy ceramics show bulk type‐II SC with Tc ≈ 4.00 K (x = 1) and 2.65 K (x = 0.8), respectively. The specific heat jump (∆C/γTc) is equal to 1.45 (x = 1) and 1.52 (x = 0.8), close to the expected value of 1.43 for the BCS superconductor in the weak coupling limit. The high‐pressure resistance measurements show a robust SC against high physical pressure in Ti0.2Zr0.2Nb0.2Mo0.2Ta0.2C, with a slight Tc variation of 0.3 K within 82.5 GPa. Furthermore, the first‐principles calculations indicate that the Dirac‐like point exists in the electronic band structures of Ti0.2Zr0.2Nb0.2Mo0.2Ta0.2C, which is potentially a topological superconductor. The Dirac‐like point is mainly contributed by the d orbitals of transition metals M and the p orbitals of C. The high‐entropy ceramics provide an excellent platform for the fabrication of novel quantum devices, and the study may spark significant future physics investigations in this intriguing material.
Measurement of Accumulation of Antibiotics to Staphylococcus aureus in Phagosomes of Live Macrophages**
Authors: Kelly Joey J. , Dalesandro Brianna E. , Liu Zichen , Chordia Mahendra D. , Ongwae George M. , Pires Marcos M. 
Published: December 2023

AbstractStaphylococcus aureus (S. aureus) has evolved the ability to persist after uptake into host immune cells. This intracellular niche enables S. aureus to potentially escape host immune responses and survive the lethal actions of antibiotics. While the elevated tolerance of S. aureus to small‐molecule antibiotics is likely to be multifactorial, we pose that there may be contributions related to permeation of antibiotics into phagocytic vacuoles, which would require translocation across two mammalian bilayers. To empirically test this, we adapted our recently developed permeability assay to determine the accumulation of FDA‐approved antibiotics into phagocytic vacuoles of live macrophages. Bioorthogonal reactive handles were metabolically anchored within the surface of S. aureus, and complementary tags were chemically added to antibiotics. Following phagocytosis of tagged S. aureus cells, we were able to specifically analyze the arrival of antibiotics within the phagosomes of infected macrophages. Our findings enabled the determination of permeability differences between extra‐ and intracellular S. aureus, thus providing a roadmap to dissect the contribution of antibiotic permeability to intracellular pathogens.
Advances and Prospects in Understanding London Dispersion Interactions in Molecular Chemistry
Authors: Rummel Lars , Schreiner Peter R. 
Published: December 2023

AbstractLondon dispersion (LD) interactions are the main contribution of the attractive part of the van der Waals potential. Even though LD effects are the driving force for molecular aggregation and recognition, the role of these omnipresent interactions in structure and reactivity had been largely underappreciated over decades. However, in the recent years considerable efforts have been made to thoroughly study LD interactions and their potential as a chemical design element for structures and catalysis. This was made possible through a fruitful interplay of theory and experiment. This review highlights recent results and advances in utilizing LD interactions as a structural motif to understand and utilize intra‐ and intermolecularly LD‐stabilized systems. Additionally, we focus on the quantification of LD interactions and their fundamental role in chemical reactions.
Can Magnetic Dipole Transition Moment Be Engineered?
Authors: Uceda Rafael G. , Cruz Carlos M. , Míguez‐Lago Sandra , de Cienfuegos Luis Álvarez , Longhi Giovanna , Pelta David A. , Novoa Pavel , Mota Antonio J. , Cuerva Juan M. , Miguel Delia 
Published: December 2023

AbstractThe development of chiral compounds with enhanced chiroptical properties is an important challenge to improve device applications. To that end, an optimization of the electric and magnetic dipole transition moments of the molecule is necessary. Nevertheless, the relationship between chemical structure and such quantum mechanical properties is not always clear. That is the case of magnetic dipole transition moment (m) for which no general trends for its optimization have been suggested. In this work we propose a general rationalization for improving the magnitude of m in different families of chiral compounds. Performing a clustering analysis of hundreds of transitions, we have been able to identify a single group in which |m| value is maximized along the helix axis. More interestingly, we have found an accurate linear relationship (up to R2=0.994) between the maximum value of this parameter and the area of the inner cavity of the helix, thus resembling classical behavior of solenoids. This research provides a tool for the rationalized synthesis of compounds with improved chiroptical responses.
Ba12[BN2]6.67H4: A Disordered Anti‐Skutterudite filled with Nitridoborate Anions
Authors: Wandelt Sophia L. , Mutschke Alexander , Khalyavin Dmitry , Steinadler Jennifer , Karttunen Antti J. , Schnick Wolfgang 
Published: December 2023

AbstractSkutterudites are of high interest in current research due to their diversity of structures comprising empty, partially filled and filled variants, mostly based on metallic compounds. We herein present Ba12[BN2]6.67H4, forming a non‐metallic filled anti‐skutterudite. It is accessed in a solid‐state ampoule reaction from barium subnitride, boron nitride and barium hydride at 750 °C. Single‐crystal X‐ray and neutron powder diffraction data allowed to elucidate the structure in the cubic space group Im
(no. 204). The barium and hydride atoms form a three‐dimensional network consisting of corner‐sharing HBa6 octahedra and Ba12 icosahedra. Slightly bent [BN2]3− units are located in the icosahedra and the voids in‐between. 1H and 11B magic angle spinning (MAS) NMR experiments and vibrational spectroscopy further support the structure model. Quantum chemical calculations coincide well with experimental results and provide information about the electronic structure of Ba12[BN2]6.67H4.
Understanding voice‐based information uncertainty: A case study of health information seeking with voice assistants
Authors: Brewer Robin 
Published: December 2023

AbstractEvaluating information quality online is increasingly important for healthy decision‐making. People assess information quality using visual interfaces (e.g., computers, smartphones) with visual cues like aesthetics. Yet, voice interfaces lack critical visual cues for evaluating information because there is often no visual display. Without ways to assess voice‐based information quality, people may overly trust or misinterpret information which can be challenging in high‐risk or sensitive contexts. This paper investigates voice information uncertainty in one high‐risk context—health information seeking. We recruited 30 adults (ages 18–84) in the United States to participate in scenario‐based interviews about health topics. Our findings provide evidence of information uncertainty expectations with voice assistants, voice search preferences, and the audio cues they use to assess information quality. We contribute a nuanced discussion of how to inform more critical information ecosystems with voice technologies and propose ways to design audio cues to help people more quickly assess content quality.
Beschattungsrahmen für die Fenster‐Außenbeschattung im Denkmalbereich
Authors: Kain Günther , Idam Friedrich , Huber Alfons 
Published: December 2023

AbstractIm Kontext der steigenden Durchschnittstemperaturen und Hitzeinselbildung in Ballungsräumen, kommt der effektiven Beschattung von Fensterflächen zunehmend größere Bedeutung zu. Während an Neubauten Beschattungslösungen im Planungsprozess integrativ behandelt werden, ist die Nachrüstung an Bestandsgebäuden oftmals technisch, aber auch gestalterisch herausfordernd. Gerade bei denkmalgeschützten Gebäuden ist die Anbringung von Beschattungselementen problematisch, da der gestalterische und konstruktive Eingriff in die historische Bausubstanz geringgehalten werden muss. Im Rahmen dieser Arbeit wird ein neuartiger Beschattungsrahmen für die Fenster‐Außenbeschattung von denkmalgeschützten Gebäuden vorgestellt und messtechnisch charakterisiert. Die Ergebnisse zeigen, dass sich das Beschattungselement gut an bestehenden Fensterkonstruktionen montieren lässt und die Ausführung mit verschieblichen Lochblechen eine gute Anpassung der Beschattungsleistung erlaubt, welche sich durch zusätzlich angebrachte Hitzeschutzfolien erheblich erhöhen lässt. Zudem zeichnet sich die Beschattungslösung im Sinne des Simple Smart Building‐Gedankens durch eine einfache, leicht zu wartende Konstruktion aus.
Indigenous microalgae strains characterization for a sustainable biodiesel production
Authors: Amouri Mohammed , Aziza Majda , Kaidi Fayrouz , Abert Vian Maryline , Chemat Farid , Amrane Abdeltif , Assunção Mariana F. G. , Santos Lília M. A. , Ounnar Amel , Zitouni Dalila , Berrached Abdessalam 
Published: December 2023

AbstractMicroalgae have been widely recognized as a promising feedstock for sustainable biofuels production to tackle global warming and pollution issues related to fossil fuels uses. This study identified and analyzed indigenous microalgae strains for biodiesel production, specifically Chlorella vulgaris and Coelastrella thermophila var. globulina, from two distinct locations in Algeria. Molecular identification confirmed their identity, and the microalgae exhibited notable growth characteristics. Local Chlorella vulgaris and Coelastrella thermophila var. globulina showed good growth and high biomass yield, compared to Chlorella vulgaris CCAP211/11B reaching a weight of 1.48 g L‐1, 1.95 g L‐1, and 2.10 g L‐1, respectively. Lipids content of local Chlorella vulgaris, Coelastrella thermophila var. globulina, and Chlorella vulgaris CCAP211/11B, were found to be 31.39 ± 3.3%, 17 ± 2.26%, and 19 ± 0.64%, respectively. Chlorella vulgaris stood out as a candidate for biodiesel production due to its equilibrium between SFA and PUFA (43.24% and 45.27%). FAs are predominated by SFA and MUFA for Coelastrella thermophila var. globulina with value of 81.49% (SFA+MUFA). Predicted biodiesel qualities comply with ASTM6751 and EN14214 standards.Studied microalgae have therefore a promising potential for biodiesel production. However, optimising cultivation conditions is necessary to enhance biomass and lipids yield at a large scale.
Advances in high throughput cell culture technologies for therapeutic screening and biological discovery applications
Authors: Ryoo Hyeon , Kimmel Hannah , Rondo Evi , Underhill Gregory H. 
Published: December 2023

AbstractCellular phenotypes and functional responses are modulated by the signals present in their microenvironment, including extracellular matrix (ECM) proteins, tissue mechanical properties, soluble signals and nutrients, and cell–cell interactions. To better recapitulate and analyze these complex signals within the framework of more physiologically relevant culture models, high throughput culture platforms can be transformative. High throughput methodologies enable scientists to extract increasingly robust and broad datasets from individual experiments, screen large numbers of conditions for potential hits, better qualify and predict responses for preclinical applications, and reduce reliance on animal studies. High throughput cell culture systems require uniformity, assay miniaturization, specific target identification, and process simplification. In this review, we detail the various techniques that researchers have used to face these challenges and explore cellular responses in a high throughput manner. We highlight several common approaches including two‐dimensional multiwell microplates, microarrays, and microfluidic cell culture systems as well as unencapsulated and encapsulated three‐dimensional high throughput cell culture systems, featuring multiwell microplates, micromolds, microwells, microarrays, granular hydrogels, and cell‐encapsulated microgels. We also discuss current applications of these high throughput technologies, namely stem cell sourcing, drug discovery and predictive toxicology, and personalized medicine, along with emerging opportunities and future impact areas.
Applicability of J‐CTO channel score to predict microcatheter tracking during retrograde percutaneous coronary intervention of chronic total occlusions: Insights from the SURFING MICRO registry
Authors: Piedimonte Giulio , Azzalini Lorenzo , Ferrarotto Luigi , Mangione Riccardo , Cerrato Enrico , Franzè Alfonso , Tomassini Francesco , Rolfo Cristina , Pavani Marco , Zanda Greca , Tamburino Corrado , Varbella Ferdinando , La Manna Alessio 
Published: December 2023

AbstractBackgroundThe J‐chronic total occlusion (CTO) channel score can predict guidewire tracking of the collateral channels (CCs), but its efficacy in predicting microcatheter tracking has never been tested in the setting of retrograde CTO‐percutaneous coronary intervention (PCI).AimsPredicting microcatheter collateral tracking during retrograde CTO‐PCIs.MethodsA total of 189 patients undergoing retrograde CTO‐PCI from April 2017 to August 2021 were screened. The primary outcome of interest was a correlation between J‐CTO channel score and microcatheter tracking failure (MTF) after successful CC tracking by the guidewire. The independent association between anatomical features of the J‐CTO channel score and the primary outcome of interest was explored.ResultsAfter adjustment, only small size (adjusted OR: 12.70, 95% confidence interval [CI]: 1.79−89.82;p = 0.01) and continuous bends (adjusted OR: 14.15, 95% CI: 2.77−72.34;p < 0.001) remained significantly associated with an increased risk of MTF for septal collaterals. The small size was the only predictor of the MTF for epicardial collaterals (OR: 6.39, 95% CI: 1.13−35.96;p = 0.020) at univariate analysis. Patients in the MTF group had a lower incidence of procedural success compared with patients in the microcatheter tracking success (MTS) group (40.0% vs. 93.9%,p < 0.001) and had a higher incidence of collateral perforations (20.0% vs. 3.0%,p < 0.001).ConclusionSmall and tortuous septal collaterals, identified by a score ≥3, are associated with an increased risk of MTF, lower incidence of procedural success, and higher risk of procedural complications driven by collateral perforations.
Defect Engineered Ni Doped MnCO2O4 Spinel Acts as Effective Bifunctional Electrocatalyst for Rechargeable Zinc‐Air Batteries
Authors: Khamsanga Sonti , Khampuanbut Amornrat , Kheawhom Soorathep , Limphirat Wanwisa , Uyama Hiroshi , Pattananuwat Prasit 
Published: December 2023

AbstractHerein, an effective strategy using defect engineering promoted by Ni atom doping on MnCo2O4 is proposed for bifunctional catalytic activities of oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). A series of NixMn1‐xCo2O4 with x=0, 0.1, 0.2, and 0.3 is hydrothermally synthesized. Tuning the electronic structure by Ni‐doped MnCo2O4 results in modulating the valence states by dominating Mn4+ / Co3+ with the increase of oxygen vacancies. At optimized Ni content, Ni0.2Mn0.8Co2O4 reveals activity toward ORR with a current density of −1.02 mA cm‐2 at 0.95 V (vs. RHE), a high electron transfer number of 3.536, and the highest half‐wave potential of 0.855 V, which is comparable to Pt/C. For OER, Ni0.2Mn0.8Co2O4 demonstrates the lowest overpotential of 503 mV to achieve a current density of 10 mA cm−2. Additionally, rechargeable zinc‐air batteries (RZABs) with Ni0.2Mn0.8Co2O4 catalyst demonstrate a capacity of 808.6 mA h g−1 at 1.0 mA cm−2 with power densities of 459 mW cm−2 at 675 mA cm−2. The improved binding strength (Mn−O/Co−O bond) and the enhanced stability by Ni atom doping in MnCo2O4 for ORR/OER is proved by ex‐situ FT‐EXAFS. This work highlights defect engineering on Ni‐doped MnCo2O4 used as bifunctional ORR/OER catalysts for high‐performance RZABs.
Computational Pipeline for Analysis of Biomedical Networks with BioNAR
Authors: McLean Colin , Sorokin Anatoly , Armstrong J. Douglas , Sorokina Oksana 
Published: December 2023

AbstractIn a living cell, proteins interact to assemble both transient and constant molecular complexes, which transfer signals/information around internal pathways. Modern proteomic techniques can identify the constituent components of these complexes, but more detailed analysis demands a network approach linking the molecules together and analyzing the emergent architectural properties. The Bioconductor package BioNAR combines a selection of existing R protocols for network analysis with newly designed original methodological features to support step‐by‐step analysis of biological/biomedical . Critically, BioNAR supports a pipeline approach whereby many networks and iterative analyses can be performed. Here we present a network analysis pipeline that starts from initiating a network model from a list of components/proteins and their interactions through to identifying its functional components based solely on network topology. We demonstrate that BioNAR can help users achieve a number of network analysis goals that are difficult to achieve anywhere else. This includes how users can choose the optimal clustering algorithm from a range of options based on independent annotation enrichment, and predict a protein's influence within and across multiple subcomplexes in the network and estimate the co‐occurrence or linkage between metadata at the network level (e.g., diseases and functions across the network, identifying the clusters whose components are likely to share common function and mechanisms). The package is freely available in Bioconductor release 3.17: https://bioconductor.org/packages/3.17/bioc/html/BioNAR.html. © 2023 The Authors. Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: Creating and annotating the networkSupport Protocol 1: Installing BioNAR from RStudioSupport Protocol 2: Building the sample network from synaptome.dbBasic Protocol 2: Network properties and centralityBasic Protocol 3: Network communitiesBasic protocol 4: Choosing the optimal clustering algorithm based on the enrichment with annotation termsBasic Protocol 5: Influencing network components and bridgenessBasic Protocol 6: Co‐occurrence of the annotations