bluuebunny/crossref_metadata_2025_split huggingface dataset:
Facilitating Layered Oxide Cathodes Based on Orbital Hybridization for Sodium‐Ion Batteries: Marvelous Air Stability, Controllable High Voltage, and Anion Redox Chemistry
Authors: Jia Xin‐Bei , Wang Jingqiang , Liu Yi‐Feng , Zhu Yan‐Fang , Li Jia‐Yang , Li Yan‐Jiang , Chou Shu‐Lei , Xiao Yao 
Published: November 2023

AbstractLayered oxides have become the research focus of cathode materials for sodium‐ion batteries (SIBs) due to the low cost, simple synthesis process, and high specific capacity. However, the poor air stability, unstable phase structure under high voltage, and slow anionic redox kinetics hinder their commercial application. In recent years, the concept of manipulating orbital hybridization has been proposed to simultaneously regulate the microelectronic structure and modify the surface chemistry environment intrinsically. In this review, the hybridization modes between atoms in 3d/4d transition metal (TM) orbitals and O 2p orbitals near the region of the Fermi energy level (EF) are summarized based on orbital hybridization theory and first‐principles calculations as well as various sophisticated characterizations. Furthermore, the underlying mechanisms are explored from macro‐scale to micro‐scale, including enhancing air stability, modulating high working voltage, and stabilizing anionic redox chemistry. Meanwhile, the origin, formation conditions, and different types of orbital hybridization, as well as its application in layered oxide cathodes are presented, which provide insights into the design and preparation of cathode materials. Ultimately, the main challenges in the development of orbital hybridization and its potential for the production application are also discussed, pointing out the route for high‐performance practical sodium layered oxide cathodes.
Evolution of Short‐Range Order of Amorphous GeTe Upon Structural Relaxation Obtained by TEM Diffractometry and RMC Methods
Authors: Stenz Christian , Pries Julian , Surta T. Wesley , Gaultois Michael W. , Wuttig Matthias 
Published: November 2023

AbstractGlasses frequently reveal structural relaxation that leads to changes in their physical properties including enthalpy, specific volume, and resistivity. Analyzing the short‐range order (SRO) obtained from electron diffraction by transmission electron microscopy (TEM) in combination with Reverse‐Monte‐Carlo (RMC) simulations is shown to provide information on the atomic arrangement. The technique elaborated here features several benefits including reliability, accessibility, and allows for obtaining detailed structural data quickly. This is demonstrated with a detailed view of the structural changes in the as‐deposited amorphous phase change material (PCM) GeTe. The data show a significant increase in the average bond angle upon thermal treatment. At the same time the fraction of tetrahedrally coordinated Ge atoms decreases due to an increase in octahedrally distorted and pyramidal motifs. This finding provides further evidence for the atomic processes that govern structural relaxation in amorphous GeTe and other PCMs. A thorough literature review finally unveils possible origins of the large discrepancies reported on the structure of amorphous GeTe.
Optimizing Perovskite Thin‐Film Parameter Spaces with Machine Learning‐Guided Robotic Platform for High‐Performance Perovskite Solar Cells
Authors: Zhang Jiyun , Liu Bowen , Liu Ziyi , Wu Jianchang , Arnold Simon , Shi Hongyang , Osterrieder Tobias , Hauch Jens A. , Wu Zhenni , Luo Junsheng , Wagner Jerrit , Berger Christian G. , Stubhan Tobias , Schmitt Frederik , Zhang Kaicheng , Sytnyk Mykhailo , Heumueller Thomas , Sutter‐Fella Carolin M. , Peters Ian Marius , Zhao Yicheng , Brabec Christoph J. 
Published: November 2023

AbstractSimultaneously optimizing the processing parameters of functional thin films remains a challenge. The design and utilization of a fully automated platform called SPINBOT is presented for the engineering of solution‐processed functional thin films. The SPINBOT is capable of performing experiments with high sampling variability through the unsupervised processing of hundreds of substrates with exceptional experimental control. Through the iterative optimization process enabled by the Bayesian optimization (BO) algorithm, the SPINBOT explores an intricate parameter space, continuously improving the quality and reproducibility of the produced thin films. This machine learning (ML)‐guided reliable SPINBOT platform enables the acceleration of the optimization process of perovskite solar cells via a simple photoluminescence characterization of films. As a result, this study arrives at an optimal film that, when processed into a solar cell in an ambient atmosphere, immediately yields a champion power conversion efficiency (PCE) of 21.6% with satisfactory performance reproducibility. The unsealed devices retain 90% of their initial efficiency after 1100 h of continuous operation at 60–65 °C under metal‐halide lamps. It is anticipated that the integration of robotic platforms with the intelligent algorithm will facilitate the widespread adoption of effective autonomous experimentation to address the evolving needs and constraints within the materials science research community.
Lead‐free organic–inorganic hybrid scintillators for X‐ray detection
Authors: Cui Haixia , Zhu Wenjuan , Deng Yongjing , Jiang Tianxiang , Yu Aoxi , Chen Huiyu , Liu Shujuan , Zhao Qiang 
Published: November 2023

AbstractScintillators, which can convert high‐energy particles (X‐rays) into detectable low‐energy ultraviolet–visible–near‐infrared photons, are essential components of X‐ray detectors and show extensive practical applications in nondestructive detection and medical imaging. Traditionally, inorganic scintillators represented by CsI:Tl have achieved definite progress. However, the harsh preparation conditions, high production cost, and poor mechanical properties impede their potential development in the high‐end X‐ray imaging field. Organic–inorganic hybrid metal complexes could be excellent alternatives, by virtue of their structural and spectral tunability, good solution processability, and excellent photophysical properties. This review mainly focuses on eco‐friendly lead‐free metal (Mn2+, Cu+, Sb3+, Sn2+, Ge2+, Ln3+, etc.) complex scintillators. The luminescence mechanisms are introduced and the scintillation performance, such as light yield, limit of detection, imaging resolution, etc., is highlighted. Moreover, the current challenges and perspectives in this emerging field are described. It is hoped to provide some theoretical guidance for the continuous development of the new scintillator systems.
First report on female monozygotic twins discordant for congenital nephrogenic diabetes insipidus
Authors: Chen Xiang , Yun Libing , Long Yang , Sun Yuxia , Chen Tao 
Published: November 2023

AbstractNinety percent of congenital nephrogenic diabetes insipidus (NDI) are X‐linked inherited and are caused by mutations in the vasopressin type 2 receptor gene (AVPR2). Most affected individuals are males. Only sporadic female cases have been reported. Here, we first reported a female monozygotic twin with discordant phenotypes for NDI carrying a missense variant c.845T>C (p.Leu282Pro) in exon 4 of AVPR2. Intracellular cAMP concentrations in COS7 cells transfected with AVPR2‐L282P were significantly decreased by about 60% compared with those in wild‐type AVPR2 plasmid transfected cells, suggesting this variation was pathogenic. The X‐inactivation pattern was investigated in peripheral leukocytes and urine sediments in both the unaffected and affected pair. Results showed that the affected pair had a skewed X chromosome inactivation (XCI) pattern in urine sediments and a random XCI pattern in leukocytes, while the unaffected pair showed a random XCI pattern both in leukocytes and urine sediments. This was the first report of monozygotic twins who developed different phenotypes of NDI. Our study suggested that the development of NDI symptoms is more closely associated with the XCI pattern in urine sediments compared with the XCI pattern in peripheral leukocytes. Analysis of XCI in peripheral leukocytes may not be enough to explore possible mechanisms.
A deep learning and clustering‐based topic consistency modeling framework for matching health information supply and demand
Authors: Gu Dongxiao , Liu Hu , Zhao Huimin , Yang Xuejie , Li Min , Liang Changyong 
Published: November 2023

AbstractImproving health literacy through health information dissemination is one of the most economical and effective mechanisms for improving population health. This process needs to fully accommodate the thematic suitability of health information supply and demand and reduce the impact of information overload and supply–demand mismatch on the enthusiasm of health information acquisition. We propose a health information topic modeling analysis framework that integrates deep learning methods and clustering techniques to model the supply‐side and demand‐side topics of health information and to quantify the thematic alignment of supply and demand. To validate the effectiveness of the framework, we have conducted an empirical analysis on a dataset with 90,418 pieces of textual data from two prominent social networking platforms. The results show that the supply of health information in general has not yet met the demand, the demand for health information has not yet been met to a considerable extent, especially for disease‐related topics, and there is clear inconsistency between the supply and demand sides for the same health topics. Public health policy‐making departments and content producers can adjust their information selection and dissemination strategies according to the distribution of identified health topics, thereby improving the effectiveness of public health information dissemination.
Is Your Water System Ready for an Earthquake?
Authors: Millard Mason , Sowby Robert B. , Franke Kevin W. , Davis Craig A. 
Published: November 2023

Key TakeawaysAs critical infrastructure, water systems must be designed to withstand seismic hazards where earthquakes are expected.While several planning tools and design solutions exist for seismic hazards, they are not standardized for the water community.Designing buried infrastructure to withstand differential ground movement and severe shaking comes with several challenges for water systems.
Annotation of GC‐MS Data of Antimicrobial Constituents in the Antarctic Seaweed Phaeurus antarcticus by Molecular Networking
Authors: dos Santos Gustavo Souza , Sousa Teixeira Maria Valdeline , da Costa Clementino Leandro , Gama‐Filho Péricles Abreu , Pereira Luiz Miguel , Rodrigues Teixeira Thaiz , Cardoso Furtado Niege Araçari Jacometti , da Silva Graminha Marcia Aparecida , Yatsuda Ana Patrícia , Neto Pio Colepicolo , Edrada‐Ebel Ru Angelie , Debonsi Hosana Maria 
Published: November 2023

AbstractPhaeurus antarcticus is a member of the Desmarestiaceae family endemic to the Antarctic Peninsula. Reports addressing its chemical composition and biological activities are scarce. Herein, bioactive non‐polar compounds of P. antarcticus against pathogenic bacteria, Leishmania amazonensis and Neospora caninum parasites were targeted through GC‐MS Molecular Networking and multivariate analysis (OPLS‐DA). The effects on horseradish peroxidase (HRP) were also evaluated. P. antarcticus exhibited selective bacteriostatic and bactericidal activities against Staphylococcus aureus with MIC and MBC values from 6.25–100 μg mL−1. Fractions HX‐FC and HX‐FD were the most active against L. amazonensis with EC50 ranging from 18.5–62.3 μg mL−1. Additionally, fractions HX‐FC and HX‐FD showed potent inhibition of N. caninum at EC50 values of 2.8 and 6.3 μg mL−1, respectively. All fractions inhibited HRP activity, indicating possible interactions with Heme proteins. It was possible to annotate compounds from tree mains clusters, containing terpenoids, steroids, fatty acids, and alcohols by correlating the spectral data of the GC‐MS analysis with Molecular Networking and the OPLS‐DA results.
Exploring the Antioxidant Potency of New Naphthalene‐Based Chalcone Derivatives: Design, Synthesis, Antioxidant Evaluation, Docking Study, DFT Calculations
Authors: Balamon Mina G. , El‐Bordany Eman A. , Mahmoud Naglaa F. H. , Hamed Ashraf A. , Swilem Ahmed E. 
Published: November 2023

AbstractNaphthalene‐based chalcone derivative was successfully synthesized through the condensation of 2,4‐dichlorobenzaldehyde with 2‐acetylnaphthalene. This chalcone, denoted as compound 1, demonstrated a versatile reactivity upon treatment with both nitrogen and carbon nucleophiles, and yielded diverse heterocyclic scaffolds such as pyrazoline, thiazole, pyrimidine, pyran, and pyridine derivatives. The pyrazoline aldehyde derivative 7 was further derivatized to produce the hydrazide‐hydrazone 13, namely, (1H‐pyrazol‐1‐yl)methylene)acetohydrazide, which was exploited to synthesize derivatives of 2‐oxo‐2H‐chromene‐3‐carbohydrazide 14, 2‐(4‐oxo‐4,5‐dihydrothiazol‐2‐yl)acetohydrazide 15, and 3‐(4‐nitrophenyl)acrylohydrazide 16. All the newly synthesized compounds were characterized by melting point, elemental analysis, as well as FT‐IR, 1H‐NMR and mass spectroscopy. Furthermore, these heterocyclic derivatives were screened for their antioxidant capacities using the DPPH radical assay. The results showed that compounds 5 and 10 are the most potent antioxidants with IC50 values 178, 177(μM), respectively. comparable to that of ascorbic acid which has IC50 value 148. Meanwhile, compounds 2, 12, 13, 14, 15, and 16 exhibited moderate antioxidant activities with IC50 values ranged from 266 to 291(μM). Thus, these heterocycles could emerge as promising antioxidant drugs for the treatment of oxidative stress‐related diseases. Finally, molecular docking was conducted to study the binding affinity for the most potent antioxidant compounds 5, 10, and ascorbic acid inside the active pocket of Human Peroxiredoxin 5 (1HD2). DFT calculations and global descriptors were calculated for the most potent compounds to correlate the relation between chemical structure and reactivity.
A 42‐year‐old female with sternoclavicular arthritis and breast abscess caused by brucellosis: A case report
Authors: Varshochi Mojtaba , Ravanbakhsh Gavgani Reyhaneh , Ravanbakhsh Ghavghani Fatemeh , Hamzehzadeh Sina 
Published: November 2023

Key Clinical MessageThe main target of this report was that brucellosis can occur in unexpected and very rare patterns. We reported this patient to acknowledge all of clinicians especially those living in the endemic areas, that these rare complications of brucellosis can also be treated by the standard treatment of this disease.AbstractBrucellosis is a thousand‐face disease and common zoonotic infection in endemic regions. A 42‐year‐old female was admitted with sternoclavicular arthritis and breast abscess. After laboratory investigation and imaging, positive serological test results and positive blood culture for Brucella revealed acute sternoclavicular arthritis and breast abscess due to brucellosis.
Inflammatory related plasma proteins involved in acute preschool wheeze
Authors: Holmdahl Idun , Chakraborty Sandip , Hoyer Angela , Filiou Anastasia , Asarnoj Anna , Sjölander Anders , Borres Magnus P. , van Hage Marianne , Hedlin Gunilla , Konradsen Jon R. , Söderhäll Cilla 
Published: November 2023

AbstractBackgroundPreschool wheeze is a risk factor for asthma development. However, the molecular mechanism behind a wheezing episode is not well understood.ObjectiveOur aims were to assess the association of plasma proteins with acute preschool wheeze and to study the proteins with differential expression at the acute phase at revisit after 3 months. Additionally, to investigate the relationship between protein expression and clinical parameters.MethodWe measured 92 inflammatory proteins in plasma and clinical parameters from 145 children during an episode of preschool wheeze (PW) and at the revisit after 3 months (PW‐R, n = 113/145) and 101 healthy controls (HC) aged 6–48 months in the GEWAC cohort using the antibody‐mediated proximity extension‐based assay (Olink Proteomics, Uppsala).ResultsOf the 74 analysed proteins, 52 were differentially expressed between PW and HC. The expression profiles of the top 10 proteins, Oncostatin M (OSM), IL‐10, IL‐6, Fibroblast growth factor 21 (FGF21), AXIN1, CXCL10, SIRT2, TNFSF11, Tumour necrosis factor β (TNF‐β) and CASP8, could almost entirely separate PW from HC. Five out of 10 proteins were associated with intake of oral corticosteroids (OCS) 24 h preceding blood sampling (OSM, CASP8, IL‐10, TNF‐β and CXCL10). No differences in protein expression were seen between PWs with or without OCS in comparison to HC. At the revisit after 3 months, differential protein expressions were still seen between PW‐R and HC for three (IL‐10, SIRT2 and FGF21) of the 10 proteins.ConclusionOur results contribute to unravelling potential immunopathological pathways shared between preschool wheeze and asthma.
Social communication and the roots of anti‐Jewish violence in the Kingdom of Poland
Authors: Markowski Artur , Winiewski Mikołaj 
Published: November 2023

AbstractDuring the late 1800s, the Russian Empire faced two waves of anti‐Jewish violence. This led to an upsurge in communication both for and against pogroms in the western area of the Empire, which had formerly been a part of Poland. Our research has examined two archives of leaflets and reports on pogrom communication from 1881 to 82 and 1903 to 06 and revealed that the pro‐ and anti‐pogrom narratives display structural similarities across the two decades. Our analysis indicates that the established intergroup relations that led to the violence were the underlying common factor behind these narratives. Although their objectives seemed different, pro‐ and anti‐pogrom communications ultimately aimed to promote Polish identity.
Corporate governance and its impact on financial performance and innovation in Chinese‐listed firms
Authors: Peng Bo 
Published: November 2023

AbstractCorporate governance (CG) is the system of rules, procedures, and processes by which an organization is operated and controlled. Effective corporate governance helps mitigate risk by ensuring the company complies with applicable laws and regulations and maintains appropriate internal controls. CG is an essential aspect of the overall management of companies and can have a significant impact on their Financial Performance (FP). In China, CG practices have undergone significant modifications over the last few years as the country shifted from a centrally planned economy to a market‐based economy. The study's novelty evaluated the effect of corporate governance on finance and Chinese‐listed firm creation. Data obtained from 345 employees working in 8 firms in China, the relationship between CG, financial performance, and innovation is investigated. The study adopted PLS‐SEM analysis and the findings of the study indicate that CG is positively related to better FP and innovation output. The study analysis found that firms with stronger governance structures have better access to external financing, lower agency costs, and higher levels of innovation investment. Also, the result identified that improving CG can lead to better FP and innovation, which in turn improves the firm's competitiveness and long‐term sustainability.
Temporal shifts in the marine feeding of individual Atlantic salmon inferred from scale isotope ratios
Authors: Power Michael , Thorstad Eva B. , Forseth Torbjørn , Fiske Peder 
Published: November 2023

AbstractGiven the limited information on prey use during the marine residency period for Atlantic salmon, scales were collected from salmon at return to the River Namsen (Norway) for spawning after 1 year at sea, and scale material from the first and second summer marine feeding periods was analysed using stable isotope methods to understand dynamics of their trophic ecology. As the salmon increased in size from the first to second summer, they reduced their feeding niche and specialised more (narrowed the δ13C range) and increased their dependency on higher tropic level (δ15N) prey, likely fish. Changes in δ13C indicated a consistent pattern of movement towards the north and west between summer feeding periods. Hence, salmon during their first year at sea may have a migration route roughly resembling that of previous spawners, as inferred from earlier tagging studies. Feeding conditions and nutrient composition during the last summer at sea, i.e. in the months before returning to the river for spawning, impacted final body size and within‐season timing of return. Fish undergoing the largest trophic niche shift (δ13C and δ15N combined) between summer feeding periods, returned earliest. The earliest returning fish had the fastest specific growth rates at sea. Hence, salmon encountering abundant high‐quality fish food during the marine migration, particularly during the last months, may reach a size and energetic state whereby it is better to return early to a safer environment in freshwater than risk being eaten by a big predator at sea. Both trophic status (δ15N), resource use (δ13C) and growth rates were significantly correlated between feeding periods. Nutrient composition during the first summer at sea did not impact the fish body length after the following winter, but growth conditions during the first summer evidenced carry‐over effects from the first to the second summer of feeding.
A novel record of African wild dogs (Lycaon pictus) in Vwaza Marsh Wildlife Reserve, Malawi
Authors: Sievert Olivia , Hammer Matthias , Comley Eleanor , Hintz Benjamin , Mgoola William O. , Davis Robert S. 
Published: November 2023

AbstractMost African wild dog (Lycaon pictus) populations are in decline and, due to habitat fragmentation and conflict rates in areas of higher anthropogenic land‐use, are primarily restricted to protected areas. As a species that occurs at low densities, with a strict reproductive social structure, wild dogs rely on long‐range dispersal to facilitate colonization, reproduction, and pack formation. In Malawi, large carnivores have been subject to widespread population decline and several protected areas have a reduced large carnivore guild, including the loss of resident wild dog populations. Here, during a biodiversity monitoring camera trap survey, we captured a novel record of wild dogs in Vwaza Marsh Wildlife Reserve (Vwaza), Malawi. The 11 photographic captures of potentially three individual wild dogs represent the first documented evidence of the species in Vwaza and the first record since an unconfirmed report in 2011. We hypothesize that this group of wild dogs moved into Vwaza through the Malawi‐Zambia Transfrontier Conservation Area (MZTFCA), with the MZTFCA linking protected areas in Malawi with the Luangwa Valley, Zambia. The evidence provided here, and similar documentation in Kasungu National Park, Malawi, show that large carnivores can potentially move through the MZTFCA into protected areas in Malawi. We argue that the MZTFCA provides an important dispersal corridor that could help facilitate the recolonization of wild dogs, and other large carnivores, in Malawian protected areas. However, further research is needed to assess the permeability and status of the MZTFCA corridor into Malawi. We show that camera traps can be useful to document novel records of rare species and can be used to inform conservation management planning.