bluuebunny/crossref_metadata_2025 huggingface dataset:
Grand canonically optimized grain boundary phases in hexagonal close-packed titanium
Authors: Chen Enze , Heo Tae Wook , Wood Brandon C. , Asta Mark , Frolov Timofey
Published: August 2024

Grain boundaries (GBs) profoundly influence the properties and performance of materials, emphasizing the importance of understanding the GB structure and phase behavior. As recent computational studies have demonstrated the existence of multiple GB phases associated with varying the atomic density at the interface, we introduce a validated, open-source GRand canonical Interface Predictor (GRIP) tool that automates high-throughput, grand canonical optimization of GB structures. While previous studies of GB phases have almost exclusively focused on cubic systems, we demonstrate the utility of GRIP in an application to hexagonal close-packed titanium. We perform a systematic high-throughput exploration of tilt GBs in titanium and discover previously unreported structures and phase transitions. In low-angle boundaries, we demonstrate a coupling between point defect absorption and the change in the GB dislocation network topology due to GB phase transformations, which has important implications for the accommodation of radiation-induced defects.
Atmospheric-river-induced foehn events drain glaciers on Novaya Zemlya
Authors: Haacker J. , Wouters B. , Fettweis X. , Glissenaar I. A. , Box J. E.
Published: August 2024

Recently, climate extremes have been grabbing attention as important drivers of environmental change. Here, we assemble an observational inventory of energy and mass fluxes to quantify the ice loss from glaciers on the Russian High Arctic archipelago of Novaya Zemlya. Satellite altimetry reveals that 70 ± 19% of the 149 ± 29 Gt mass loss between 2011 and 2022 occurred in just four high-melt years. We find that 71 ± 3% of the melt, including the top melt cases, are driven by extreme energy imports from atmospheric rivers. The majority of ice loss occurs on leeward slopes due to foehn winds. 45 of the 54 high-melt days (>1 Gt d−1) in 1990 to 2022 show a combination of atmospheric rivers and foehn winds. Therefore, the frequency and intensity of atmospheric rivers demand accurate representation for reliable future glacier melt projections for the Russian High Arctic.
Genomic characterization of Volzhskoe tick virus (Bunyaviricetes) from a Hyalomma marginatum tick, Hungary
Authors: Földvári Gábor , Tauber Zsófia , Tóth Gábor Endre , Cadar Dániel , Bialonski Alexandra , Horváth Balázs , Szabó Éva , Lanszki Zsófia , Zana Brigitta , Varga Zsaklin , Földes Fanni , Kemenesi Gábor
Published: August 2024

Hyalomma marginatum, a vector for the high-consequence pathogen, the Crimean–Congo hemorrhagic fever virus (CCHFV), needs particular attention due to its impact on public health. Although it is a known vector for CCHFV, its general virome is largely unexplored. Here, we report findings from a citizen science monitoring program aimed to understand the prevalence and diversity of tick-borne pathogens, particularly focusing on Hyalomma ticks in Hungary. In 2021, we identified one adult specimen of Hyalomma marginatum and subjected it to Illumina-based viral metagenomic sequencing. Our analysis revealed sequences of the uncharacterized Volzhskoe tick virus, an unclassified member of the class Bunyaviricetes. The in silico analysis uncovered key genetic regions, including the glycoprotein and the RNA-dependent RNA polymerase (RdRp) coding regions. Phylogenetic analysis indicated a close relationship between our Volzhskoe tick virus sequences and other unclassified Bunyaviricetes species. These related species of unclassified Bunyaviricetes were detected in vastly different geolocations. These findings highlight the remarkable diversity of tick specific viruses and emphasize the need for further research to understand the transmissibility, seroreactivity or the potential pathogenicity of Volzhskoe tick virus and related species.
Integrating network pharmacology with pharmacological research to elucidate the mechanism of modified Gegen Qinlian Decoction in treating porcine epidemic diarrhea
Authors: Cui Jinzhong , Li Xuehua , Kang Yu , Li Peng , Guo Xinling , Zhao Wei , Yang Li , Yang Qinxin , Li Ru , Liu Xingyou , Sun Zilong
Published: August 2024

Porcine Epidemic Diarrhea Virus (PEDV) poses a significant threat to neonatal piglets, particularly due to the limited efficacy of existing vaccines and the scarcity of efficacious therapeutic drugs. Gegen Qinlian Decoction (GQD) has been employed for over two millennia in treating infectious diarrhea. Nonetheless, further scrutiny is required to improve the drug’s efficacy and elucidate its underlying mechanisms of action. In this study, a modified GQD (MGQD) was developed and demonstrated its capacity to inhibit the replication of PEDV. Animal trials indicated that MGQD effectively alleviated pathological damage in immune tissues and modulated T-lymphocyte subsets. The integration of network analysis with UHPLC-MS/MS facilitated the identification of active ingredients within MGQD and elucidated the molecular mechanisms underlying its therapeutic effects against PEDV infections. In vitro studies revealed that MGQD significantly impeded PEDV proliferation in IPEC-J2 cells, promoting cellular growth via virucidal activity, inhibition of viral attachment, and disruption of viral biosynthesis. Furthermore, MGQD treatment led to increased expression levels of IFN-α, IFN-β, and IFN-λ3, while concurrently decreasing the expression of TNF-α, thereby enhancing resistance to PEDV infection in IPEC-J2 cells. In conclusion, our findings suggest that MGQD holds promise as a novel antiviral agent for the treatment of PEDV infections.
Antimalarial analysis of pharmaceutical formulations and biological samples by capillary electrophoresis: the state of the art and applications
Authors: Queiroz de Souza Jéssica Cordeiro , Penna Eduarda Alves , Chellini Paula Rocha , Leal de Oliveira Marcone Augusto
Published: August 2024

The evolution of achiral and chiral capillary electrophoresis methods that have been applied in the analysis of antimalarial drugs in pharmaceutical formulations and human biological samples, covering the literature from 2000 to 2023.
A cost-effective method for the sensitive detection of levofloxacin using a 3D composite electrode composed of nail polish, graphite and aluminium oxide
Authors: Veríssimo de Oliveira Wallace Burger , Couto da Silva Gabriela , Oliveira Raylla Santos , Henrique de Souza Leite Rocha Pedro , Cunha de Souza Cassiano , Costa Matos Maria Auxiliadora , Lisboa Thalles Pedrosa , Matos Renato Camargo
Published: August 2024

The development of inexpensive, robust, reliable and sensitive electrochemical devices is a current demand for the monitoring of pharmaceutical contaminants in various biological and environmental sample matrices.
A wax chalk and self-heating paper-based analytical device (SH-PAD) for the detection of bisphenol A
Authors: Panicker Shekhar , Prabhu Anusha , Sundarrajan Balachandar , Quadros Buena Peninnah , Mani Naresh Kumar
Published: August 2024

The detection of BPA using a wax chalk device and self-heating paper-based analytical device.
New findings in the metabolism of the saffron apocarotenoids, crocins and crocetin, by the human gut microbiota
Authors: García Carlos Javier , Beltrán David , Frutos-Lisón Maria Dolores , García-Conesa Maria Teresa , Tomás-Barberán Francisco A. , García-Villalba Rocío
Published: August 2024

The transformation kinetics of the saffron apocarotenoids, crocin and crocetin by human gut microbiota has been described for the first time and several new crocetin-derived microbial metabolites were identified.
Light-fuelled nitro-reduction via cascaded electron donor–acceptor complexes in aqueous media
Authors: Zhuang Xiaohui , Song Haijing , Wang Jiayin , Zhang Zhaokang , Wang Jiayang , Sun Bin , Su Weike , Jin Can
Published: August 2024

Developed herein is a metal-free method for nitro reduction via cascade electron donor acceptor complex photoexcitation in aqueous media.
Design of a yolk–shell ternary metal sulfide with a tunable structure for high-performance electromagnetic wave absorption
Authors: Liu Zhaobo , Zhao Yan , Liu Zhiwei
Published: August 2024

Herein, we report a strategy for preparing a novel ternary metal sulfide (TMS) with a yolk–shell structure based on a “penetration–solidification–annealing” method.
Support effect on Ni-based mono- and bimetallic catalysts in CO2 hydrogenation
Authors: Wang Jihao , Chen Shilong , Ticali Pierfrancesco , Summa Paulina , Mai Simon , Skorupska Katarzyna , Behrens Malte
Published: August 2024

Zirconia- and ceria-supported Ni,Fe catalysts show higher activity than MgO-supported catalysts in CO2 hydrogenation. This effect is due to differences in reducibility and oxygen vacancy formation resulting in modified metal-support interactions.
A comparative study on surface-engineered nanoceria using a catechol copolymer design: colloidal stability vs. antioxidant activity
Authors: Ghorbani Milad , Ercole Francesca , Nazemi Katayoun , Warne Nicole M. , Quinn John F. , Kempe Kristian
Published: August 2024

Novel catechol copolymers P(OEGMA)x-b-P(CAT)y were grafted to the surface of nanoceria (NC), which allowed study of the correlation between colloidal stability and antioxidant activity.
Assessing inorganic nanoparticle toxicity through omics approaches
Authors: Li Yanchen , Vulpe Christopher , Lammers Twan , Pallares Roger M.
Published: August 2024

This review aims to provide a deeper understanding and new perspectives of omics approaches to characterize the toxicity and biological interactions of inorganic nanoparticles, and improve the safety of nanoparticle applications.
The onset of aerosol Au nanoparticle crystallization: accretion & explosive nucleation
Authors: Wang Yi , Goudeli Eirini
Published: August 2024

The crystallization of aerosol gold nanoparticles is investigated by molecular dynamics. Crystal formation takes place by two different pathways: explosive nucleation well below the Au freezing point and accretion nucleation near the freezing point.
On resin synthesis of phosphoethanolamine cellulose
Authors: Huang Jhih-Yi , Delbianco Martina
Published: August 2024

An on resin approach for the synthesis of phosphoethanoamine (pEtN) cellulose, a chemically modified cellulose present in some bacterial biofilms.
Exploration of iodine adsorption performance of pyrene-based two-dimensional covalent organic frameworks
Authors: He Weican , Wang Shenglin , Hu Hui , Yang Jiaxin , Huang Tiao , Su Xiaofang , Xiao Songtao , Wang Jianyi , Gao Yanan
Published: August 2024

Radioiodine (mainly 129I and 131I) is known to be dangerous nuclear waste due to its high toxicity, fast mobility and long radioactive half-life.
Ru-catalyzed activation of free phenols in a one-step Suzuki–Miyaura cross-coupling under mechanochemical conditions
Authors: Mkrtchyan Satenik , Jakubczyk Michał , Sarfaraz Sehrish , Ayub Khurshid , Iaroshenko Viktor O.
Published: August 2024

Activation of phenols by a Ru-catalyst allows for the resulting η5-phenoxo complex to selectively react with a variety of nucleophiles under mechanochemical conditions.
Recent advances of metal active sites in photocatalytic CO2 reduction
Authors: Gao Wa , Li Haonan , Hu Jianqiang , Yang Yong , Xiong Yujie , Ye Jinhua , Zou Zhigang , Zhou Yong
Published: August 2024

This review mainly concentrates on the regulation of product efficiency and selectivity in photocatalytic CO2 reduction through the elaborate design of MAS, as well as the achievement of multi-carbon product generation.
Influence of tidal phenomena on nutrient variations in water column of the Chao Phraya River estuary
Authors: Khongmanont Korawee , Yottiam Anutsara , Leelakun Patcha , Vibhatabandhu Pathompong , Srithongouthai Sarawut
Published: August 2024

The Chao Phraya River estuary is a vital ecosystem characterized by its dynamic interactions between freshwater and saltwater, driven by tidal cycles. The research aims to elucidate how tidal cycles impact concentrations of ammonium (NH4+), nitrate (NO3-), and phosphate (PO43-), and their subsequent effect on phytoplankton biomass, indicated by chlorophyll a (Chla) concentrations. Water samples were collected over a 24-hour period during different tidal phases—high tide, low tide, ebb tide, and flood tide—from multiple depths in the estuary. The analysis revealed significant variations in nutrient concentrations corresponding to tidal changes. Ammonium levels ranged from 0.10 to 0.48 mg/L, with the lowest concentrations observed during high tide and the highest during flood tide. Nitrate concentrations varied between 2.10 and 2.82 mg/L, showing the highest values during flood tide. Phosphate concentrations fluctuated from 0.013 to 0.117 mg/L, with higher levels during flood and low tides. Despite these fluctuations in nutrient concentrations, Chla levels, which ranged from 0.460 to 9.192 µg/L, did not exhibit significant variation in response to tidal changes, indicating a minimal impact on phytoplankton biomass. These findings highlight the critical role of tidal dynamics in influencing nutrient distribution within the estuary, with lower nutrient concentrations typically observed during high tide due to dilution effects. The lack of significant changes in Chla concentrations suggests that while nutrient levels are affected by tidal cycles, phytoplankton growth remains relatively stable. Understanding the interactions between tidal cycles and nutrient dynamics is essential for effective estuarine management. This study underscores the importance of incorporating tidal influences into strategies aimed at mitigating nutrient pollution and preserving the ecological health of estuarine environments.
Synthesis nano core-shell material Fe3O4@SiO2 for magnetorheological finishing with Halbach array and regenerative abrasive system
Authors: Ngoc Quan Nguyen , Minh Quang Nguyen , Thi Phuong Thanh Le , Tien Tung Nguyen , Tan Tran Ngoc , Trinh Nguyen Duy
Published: August 2024

Fe3O4@SiO2 nanomaterials hold significant promise for diverse applications across various fields. This study aims to elucidate the feasibility and effectiveness of Fe3O4@SiO2 in surface finishing processes. Utilizing the co-precipitation method, SiO2 shells were successfully coated onto Fe3O4 nanoparticles. The abrasive properties of Fe3O4@SiO2 were analyzed for their efficiency in surface finishing. Leveraging the magnetic field generated by a Halbach array, combined with an abrasive particle replacement system, we propose a robust and highly effective polishing process using Fe3O4@SiO2 abrasives. This study details the formation of a magnetorheological fluid (MRF) polishing tool incorporating Fe3O4@SiO2 abrasive particles. Practical experiments were conducted on Sapphire workpieces to validate the proposed polishing process. The experimental setup was designed to assess the surface finishing capabilities and material removal behaviour. Results demonstrated that the Sapphire surface achieved nanometer-scale smoothness with a roughness average (Ra) of 1.145 nm, free of surface damage, after just 100 min of processing. The underlying mechanisms of material removal were also investigated and discussed. The findings suggest that MRF polishing using Fe3O4@SiO2 abrasive particles is a promising and efficient method for surface finishing across various materials.
Analysis of government subsidy strategies for blockchain-enabled green supply chains under competition
Authors: Liao Changhua
Published: August 2024

This study uses game-theory to construct a dual-channel green supply chain consisting of a manufacturer, a blockchain-enabled platform, and a non-blockchain-enabled offline retailer, with the aim of comparing two government subsidy strategies: greenness investment cost subsidy and production subsidy, and exploring the impact of blockchain adoption. First, firms without government subsidy should adopt blockchain only when privacy costs are low. Both subsidy strategies can always motivate the manufacturer to increase greenness investment levels and achieve a triple-win situation. Second, when the government controls the greenness investment level, the demand, profits, and subsidy amount under cost subsidy are always lower than those under production subsidy. Third, when the government controls the subsidy amount, the greenness investment level under cost subsidy is always higher than that under production subsidy. The offline demand and retailer’s profit are higher under production subsidy, while the online demand and platform’s profit are higher under cost subsidy. The manufacturer’s profit is higher under cost subsidy only when the subsidy level is low. Additionally, regardless of governmental goals, the platform’s profit is always higher than the retailer’s profit, indicating that downstream firms under government subsidy should always adopt blockchain.
Monitoring kardiovaskulärer Notfälle in der Notaufnahme
Authors: Jung Christian , Bernhard Michael
Published: August 2024

Was ist neu?

Sofortmaßnahmen und Ersteinschätzung Das übergreifende Ziel für kardiovaskuläre Notfallpatienten ist die rasche Einschätzung des Zustandes und ggf. die zügige Verlegung in eine geeignete Zielstation. Dabei ist es eine differenzierte Indikation für das kardiovaskuläre Monitoring entscheidend, um trotz begrenzter Überwachungsressourcen eine hohe Patientensicherheit gewährleisten zu können. Nach der Ersteinschätzung wird unter Nutzung des evaluierten Leitsymptoms ein Basismonitoring etabliert, das nach weiterer differenzialdiagnostischer Abklärung eskaliert oder deeskaliert wird.

Basismonitoring Ein klinikeinheitlicher Standard wird empfohlen. Je nach ergänzend vorliegenden Pathologien und Störungen der Vitalfunktionen kann das Basismonitoring durch geeignete Maßnahmen ergänzt werden.

Symptomorientiertes Monitoring Der Umfang des erweiterten Monitorings ist abhängig vom Leitsymptom. In der Notaufnahme werden Patienten primär mit einem führenden Leitsymptom vorstellig, und erst sekundär (nach erfolgter Differenzialdiagnostik) lässt sich eine Arbeitsdiagnose zuordnen.
Polymyalgia rheumatica – Was gibt es Neues?
Authors: Schmidt Wolfgang A
Published: August 2024

Was ist neu?

Interdisziplinäre Zusammenarbeit: Aktuell werden nur 25% aller
PMR-Patienten (PMR: Polymyalgia rheumatica) fachärztlich-rheumatologisch überwiesen. Eine
Expertenkommission empfahl kürzlich die fachärztliche Diagnosebestätigung. Dadurch können
Fehldiagnosen und Krankenhausaufenthalte vermieden sowie niedrigere Glukokortikoiddosen
erreicht werden.

Bildgebende Untersuchungen: Mithilfe der Sonografie, MRT oder
PET-CT lassen sich typische periartikuläre entzündliche Veränderungen finden, insbesondere im
Schulter- und Beckengürtelbereich, wobei für den klinischen Alltag die Sonografie meist
ausreichend ist.

Riesenzellarteriitis (RZA) bei PMR: Bei 20–25% aller neu
diagnostizierten PMR-Patienten ohne RZA-Symptome lässt sich sonografisch eine RZA nachweisen.
Diese Patienten mit „stiller“ RZA benötigen dieselbe Therapie wie andere RZA-Patienten.
Zunehmend wird von einer RZA-PMR-Spektrum-Erkrankung ausgegangen.

Therapie Glukokortikoide sind weiterhin die Hauptsäule in der
Therapie. Der Interleukin-6-Inhibitor Sarilumab wurde kürzlich in den USA für rezidivierende
PMR zugelassen. Studien konnten auch eine Wirksamkeit von Tocilizumab zeigen.
Nierenkrankheiten: Neues aus den KDIGO-Leitlinien
Authors: Ketteler Markus
Published: August 2024

Was ist neu?

Evaluation and Management of Chronic Kidney Disease Das Update 2024 betrifft die Empfehlungen zur Einschätzung und zum generellen Management chronischer Nierenkrankheiten. Das Update wurde um sog. „Clinical Practice Points“ ergänzt, die zwar von der aktuellen Evidenzlage abgeleitet wurden, aber nicht zwingend durch prospektive kontrollierte Studien umfassend belegt sind.

Lupus-Nephritis Die wesentliche Änderung des Updates 2024 betrifft die Empfehlungen zur Induktionstherapie (inklusive Belimumab, Calcineurin-Inhibitor) der Lupus-Nephritis-Klassen III und IV. Nach wie vor bestehen hier als Basis die hochdosierte Glukokortikoid-Behandlung sowie der Einsatz von Hydroxychloroquin.

ANCA-assoziierte Nephritis Die beiden neuen Entwicklungen im Update 2024 waren die Studien zum Einsatz des C5a-Rezeptor-Inhibitors Avacopan und die zunehmende Datenlage zu Induktionsprotokollen mit reduzierter Glukokortikoid-Dosierung.

Standardisierte Blutdruckmessungen Aufgrund der Uneinheitlichkeit und Variabilität der Bedingungen, unter denen Blutdruckmessungen in der Praxis erfolgen, erfolgte ein Internationales Konsensus-Statement, welches 4 Schritte festlegt, um eine ausreichende Validität der Messergebnisse zu erreichen. In der Quintessenz wird die automatisierte Oberarmmessung unter entspannten Ruhebedingungen empfohlen.

CKD-MBD Controversies Conference 2023 Das Update befindet sich in Bearbeitung und wurde noch nicht veröffentlicht. Vorerst ergaben sich aber keine gravierenden Widersprüche zwischen der Datenlage 2023 und den Leitlinien von 2017 – möglicherweise hat sich die Risikoeinschätzung bezüglich kalziumhaltiger Phosphatbinder relativiert.
Therapie der chronischen extremitätenbedrohenden Ischämie
Authors: Thieme Marcus , Krankenberg Hans
Published: August 2024

Was ist neu?

Die Inzidenz der peripheren arteriellen Verschlusskrankheit (PAVK) steigt weltweit und kontinuierlich. Dabei nimmt mit zunehmendem Alter auch die Prävalenz der chronischen Extremitäten-bedrohenden Ischämie (engl.: chronic limb-threatening ischemia, CLTI) auf bis zu 0,4% der Gesamtbevölkerung zu. Die Frage, ob eine interventionelle oder operative Rekanalisation bessere Ergebnisse bei CLTI-Patienten liefert, sollte durch zwei großangelegte Studien geklärt werden, deren Ergebnisse kürzlich publiziert wurden. In der Best-CLI-Studie wurden 1830 Patienten mit CLTI randomisiert. Nach einem medianen Follow-up (FU) von 2,7 Jahren zeigten die mit Venen-Bypässen versorgten Patienten gegenüber den interventionell behandelten Patienten signifikant bessere Resultate. In der BASIL-2-Studie wurden 345 Patienten mit CLTI eingeschlossen. Nach einem medianen FU von 40 Monaten ergab sich eine Überlegenheit der endovaskulären Therapie, die bei CLTI als First-line-Strategie empfohlen wird.

Interpretation der Studienergebnisse Unterschiedliche Endpunkte und unterschiedliche Gefäß-Läsionen liefern unterschiedliche Studienergebnisse! In der Best-CLI schnitt die Interventionsgruppe schlechter ab, obwohl es keine Unterschiede in Bezug auf Major-Amputationen oder Tod gab. In BASIL-2 schnitten die operierten Patienten schlechter ab als die endovaskuläre Gruppe. Die hohe Mortalität bleibt das Hauptproblem der CLTI-Patienten.

Operation vs. Intervention bei CLTI? Beide Studien bestätigen grundsätzlich, dass Patienten mit CLTI in Zentren behandelt werden sollen, die alle Revaskularisationsverfahren anbieten. Bei langstreckigen femoropoplitealen Läsionen und CLTI sollte der Venen-Bypass künftig eine größere Rolle spielen, wogegen bei kruralen Läsionen und CLTI weiterhin eine Endovascular-first-Strategie zu bevorzugen ist. Zudem ist die Konzentration auf die reine Gefäß-Läsion obsolet: Vielmehr müssen kardiovaskuläre Risikofaktoren eingestellt sowie internistische Grunderkrankungen behandelt werden, um die hohe Mortalität dieses Patientenklientels zu senken.
Sleep Disorders in Women: What Should a Gynecologist Know?
Authors: Aksan Alperen , Dilbaz Berna
Published: August 2024

Women often face sleep disturbances during key life stages such as adolescence, pregnancy, postpartum period, and perimenopause, influenced by hormonal fluctuations and conditions like polycystic ovary syndrome (PCOS) and premenstrual syndrome (PMS). The goal is to explore women’s sleep disorders as classified in the International Classification of Sleep Disorders-3 (ICSD-3). Through a literature review, this study assesses the management of sleep disorders in women, particularly focusing on the link between gynecological disease and sleep disorders. It scrutinizes landmark research in diagnosing and treating women’s sleep disorders. Observations indicate that physiological changes during adolescence, pregnancy, postpartum, and perimenopause can cause sleep issues, commonly addressed by gynecologists. Conditions like PCOS and PMS are notably linked to increased sleep disorder occurrences. The conclusion underscores the importance of gynecologists’ awareness of the heightened
risk of sleep disturbances in women, who often present these issues during consultations.
Axially Chiral Phenanthroline Ligand-Enabled Copper-Catalyzed Enantioselective Arylation of Azonaphthalenes with Arylboronic Acids
Authors: Cen Shouyi , Zhang Zhipeng , Wang Ruiyu
Published: August 2024

An axially chiral phenanthroline ligand bearing two BINOL units was found to be capable of promoting the copper-catalyzed enantioselective arylation of 2-azonaphthalenes with arylboronic acids. This atroposelective Michael-type addition affords a range of enantioenriched axially chiral biaryl compounds in synthetically useful yields with enantiomeric ratios of up to 91.5:8.5.
Electrochemical Synthesis of Quinolines
Authors: Khan Faiz Ahmed , Fatma Musarrat
Published: August 2024

This report outlines an intramolecular oxidative annulation process involving N-substituted o-amino phenylacetylene, performed under electrochemical conditions, which yields substituted quinoline in an undivided cell at room temperature. The reaction features mild conditions, requiring neither external oxidants nor metals, and achieves yields that range from good to excellent. Moreover, the synthetic potential of quinoline has been demonstrated resulting in the synthesis of substituted polycyclic isoindolinone and (aza-)isoindolinone compounds.
A predictive score for atrial fibrillation in poststroke patients
Authors: Teixeira Caroliny Trevisan , Rizelio Vanessa , Robles Alexandre , Barros Levi Coelho Maia , Silva Gisele Sampaio , Andrade João Brainer Clares de
Published: August 2024

Background Atrial fibrillation (AF) is a risk factor for cerebral ischemia. Identifying the presence of AF, especially in paroxysmal cases, may take time and lacks clear support in the literature regarding the optimal investigative approach; in resource-limited settings, identifying a higher-risk group for AF can assist in planning further investigation.

Objective To develop a scoring tool to predict the risk of incident AF in the poststroke follow-up.

Methods A retrospective longitudinal study with data collected from electronic medical records of patients hospitalized and followed up for cerebral ischemia from 2014 to 2021 at a tertiary stroke center. Demographic, clinical, laboratory, electrocardiogram, and echocardiogram data, as well as neuroimaging data, were collected. Stepwise logistic regression was employed to identify associated variables. A score with integer numbers was created based on beta coefficients. Calibration and validation were performed to evaluate accuracy.

Results We included 872 patients in the final analysis. The score was created with left atrial diameter ≥ 42 mm (2 points), age ≥ 70 years (1 point), presence of septal aneurysm (2 points), and score ≥ 6 points at admission on the National Institutes of Health Stroke Scale (NIHSS; 1 point). The score ranges from 0 to 6. Patients with a score ≥ 2 points had a fivefold increased risk of having AF detected in the follow-up. The area under the curve (AUC) was of 0.77 (0.72–0.85).

Conclusion We were able structure an accurate risk score tool for incident AF, which could be validated in multicenter samples in future studies.
A physics-based hybrid model for supercritical CO2 ejector in critical flow regime
Authors: Paul Sanjoy , Srikar R. P. , Kumar Pramod , Rao Srisha M. V.
Published: August 2024

Supercritical CO2 (s-CO2) is a natural eco-friendly refrigerant finding global acceptance in energy systems. Supersonic ejectors are passive gasdynamic devices where a motive flow energizes and compresses a secondary stream in a varying area duct having energy applications. Mathematically modeling ejectors, including real gas effects present in CO2, is challenging. We develop a comprehensive physics-based hybrid model of the ejector operating in the critical flow regime where both the primary and secondary mass flow rates are choked. The method of characteristics is used to model the primary supersonic flow and is concurrently solved with a discrete quasi-1D model for the secondary flow with appropriate pressure-matching interface conditions and boundary conditions. The compressible turbulent mixing layer growth between the primary and secondary flow is modeled, and the location of choking is evaluated without any prior assumptions. We introduce empirical fits of the non-mixed length in the ejector to ascertain the length of the mixing duct, and the shock location in the mixed flow is estimated using an entropy minimization principle. Real gas thermodynamic properties are fetched from thermophysical database at each discrete point. The overall model exhibits remarkable fidelity and robustness in the prediction of previous experimental results of air ejectors. Comparisons between numerical results and the physics-based model with s-CO2 as working fluid confirm the accuracy of prediction of the current model (<5% difference in entrainment ratio) compared with conventional modeling approaches (10%–15% difference in entrainment ratio). The computationally effective model developed in this study is invaluable for optimization of ejectors.
Study on unsteady combustion and propelling mechanism of modular charge based on Euler–Lagrange method
Authors: Yang Xuguang , Yu Yonggang , Chen An
Published: August 2024

This work is focused on the unsteady combustion and propelling mechanism of an energetic propellant bed by establishing a coupling three-dimensional gas–solid two-phase turbulent flow model in cooperation with the combustion model of a high energetic particle swarm and the motion model of the projectile. In addition, the comparison of the breech pressure and the pressure difference between forcing cone and breech from the experiments and simulation are carried out to verify the accuracy of the numerical model. Based on this, the propulsive properties of the propellant bed and the spatial characteristics of pressure waves in the chamber were explored to explain the combustion mechanism of the modular propellant bed and, therefore, ensure the internal ballistic safety of the artillery. Furthermore, associated with the pressure wave effect and the motion behavior of the projectile, the combustion-gas and solid propellant particles exhibit a strong unsteady flow and combustion characteristic. In addition, therefore, the strong unsteady fluctuation of the pressure field in the combustion chamber is further promoted. In fact, this phenomenon is caused by the combined effects on the initial pressure gradient produced by the unsteady combustion of the non-uniformly distributed propellant bed, the end-face stagnation effect of the chamber, the interphase drag effect, before the projectile movement, as well as the competition mechanism between the unsteady combustion of the propellant bed and the projectile movement after the projectile movement.
FenB2+2n (n = 1, 2), an intrinsic room temperature ferromagnetic MBene with significant magnetic performance enhancement achievable by carbon substitution
Authors: Luo Junlin , Jiang Xingxing , Meng Haiyu , Ang Yee Sin , Xue Xiong-Xiong
Published: August 2024

From spintronics to data storage technology, two-dimensional (2D) ferromagnetic materials show great promise for various applications. This work reports a series of stable ferromagnetic transition metal boride FenB2+2n (n = 1, 2), where robust long-range ferromagnetic exchange coupling and large perpendicular magnetic anisotropy energy (MAE) allow the ferromagnetic transition temperature (Tc) of the FenB2+2n monolayer to reach above room temperature. The metallic FenB2+2n exhibits n- and p-type Dirac transport in both spin channels with a high Fermi velocity. Furthermore, the application of biaxial compressive strain and electron doping can greatly increase the ferromagnetic coupling and MAE of FeB4 monolayers. On this basis, the FeB2C2 alloy with a high concentration of carbon substitution has been designed, which allows the nonvolatile integration of in-plane compressive strain and electron doping. As expected, this substitution doping resulted in a significant increase in the Tc and MAE of the system. Our findings provide perspectives for the study of 2D magnetic materials.
Open-cage metallo-azafullerenes as efficient single-atom catalysts toward oxygen reduction reaction
Authors: Gao Haiyang , Cai Hairui , Yang Gege , Zhao Jian , Li Xuning , Yang Shengchun , Yang Tao
Published: August 2024

Very recently, open-cage metallo-azafullerenes PbC100N4H4 and Pb2C100N4H4 containing one Pb–N4–C moiety have been synthesized via the electron beam. Herein, we utilized density functional theory calculations in combination with ab initio molecular dynamics (AIMD) simulations to study the geometric and electronic structures, bonding properties, thermodynamic stability, and catalytic performance of MC100N4H4 and M2C100N4H4 (M = Ge, Sn, Pb). Metal–nitrogen distances and metal–metal distances increase along with the metal radius while the metal atom is positively charged. Energy decomposition analysis revealed that the bonding interactions between M and the C100N4H4 fragment could be described as the donor–acceptor interaction between M(ns0(n−1)d10np4) and C100N4H4 fragment, in which the orbital interactions terms contribute more than the electrostatic interactions. AIMD simulations demonstrate that those metallo-azafullerenes exhibit thermodynamic stability at room temperature. These metallo-azafullerenes, which could serve as typical carbon-supported single-atom catalysts, possess enhanced catalytic performance toward the oxygen reduction reaction (ORR) compared to the planar catalysts, which is attributed to the curvature of metallo-azafullerenes. GeC100N4H4 and SnC100N4H4 exhibit high catalytic performance in the 4e-ORR pathway to H2O, whereas only PbC100N4H4 is suitable for the 2e-ORR reaction pathway because of the difficulty in obtaining electrons. All M2C100N4H4 favors the 4e-reaction pathway due to the presence of the axial metal atom. Our finding of open-cage metallo-azafullerenes as efficient single-atom catalysts holds profound implications for both fundamental research in catalysis and practical applications in fuel cells and other electrochemical devices.
Unraveling carrier distribution in far-UVC LEDs by temperature-dependent electroluminescence measurements
Authors: Höpfner Jakob , Kühl Florian , Schilling Marcel , Muhin Anton , Guttmann Martin , Hofmann Gregor , Römer Friedhard , Wernicke Tim , Witzigmann Bernd , Kneissl Michael
Published: August 2024

The hole transport and the carrier distribution in AlGaN-based far-ultraviolett (UVC) light emitting diodes (LEDs) emitting around 233 nm was investigated. Temperature-dependent electroluminescence measurements on dual wavelength AlGaN multiple quantum well (MQW) LEDs show a strong shift in the spectral power distribution from 250 to 233 nm with decreasing temperature. Comparing experimental data with simulation shows that the hole mobility and the electron to hole mobility ratios have a significant influence on the carrier injection efficiency (CIE) and that the change in the spectral power distribution is originating from a change in the hole distribution in the MQWs. Poor hole injection and charge carrier confinement in the AlGaN MQW active region was identified as one of the main reasons for the low CIE in far-UVC LEDs.
Role of strain softening and viscoelastic memory for the rolling friction of two tire tread compounds
Authors: Miyashita N. , Persson B. N. J.
Published: August 2024

Rolling friction is of great importance for many applications, such as tires and conveyor belts. We study the rolling friction for hard cylinders rolling on flat rubber sheets. The rolling friction depends on the number of rolling cycles, the rolling speed, and the temperature. We show that when the rubber is cooled down below the glass transition temperature, the deformations of the rubber surface are frozen-in, resulting in a non-flat rolling track where uphill and downhill rolling movements strongly affect the rolling force. The experimental data are analyzed using the Persson rolling friction theory; good agreement with the experiments is obtained when the non-linear (strain-softening) properties of the viscoelastic modulus are taken into account.
Local strain inhomogeneities during electrical triggering of a metal–insulator transition revealed by X-ray microscopy
Authors: Salev Pavel , Kisiel Elliot , Sasaki Dayne , Gunn Brandon , He Wei , Feng Mingzhen , Li Junjie , Tamura Nobumichi , Poudyal Ishwor , Islam Zahirul , Takamura Yayoi , Frano Alex , Schuller Ivan K.
Published: August 2024

Electrical triggering of a metal–insulator transition (MIT) often results in the formation of characteristic spatial patterns such as a metallic filament percolating through an insulating matrix or an insulating barrier splitting a conducting matrix. When MIT triggering is driven by electrothermal effects, the temperature of the filament or barrier can be substantially higher than the rest of the material. Using X-ray microdiffraction and dark-field X-ray microscopy, we show that electrothermal MIT triggering leads to the development of an inhomogeneous strain profile across the switching device, even when the material does not undergo a pronounced, discontinuous structural transition coinciding with the MIT. Diffraction measurements further reveal evidence of unique features associated with MIT triggering including lattice distortions, tilting, and twinning, which indicate structural nonuniformity of both low- and high-resistance regions inside the switching device. Such lattice deformations do not occur under equilibrium, zero-voltage conditions, highlighting the qualitative difference between states achieved through increasing temperature and applying voltage in nonlinear electrothermal materials. Electrically induced strain, lattice distortions, and twinning could have important contributions in the MIT triggering process and drive the material into nonequilibrium states, providing an unconventional pathway to explore the phase space in strongly correlated electronic systems.
Contribution of intraflagellar transport to compartmentalization and maintenance of the photoreceptor cell
Authors: Lewis Tylor R. , Castillo Carson M. , Klementieva Natalia V. , Hsu Ying , Hao Ying , Spencer William J. , Drack Arlene V. , Pazour Gregory J. , Arshavsky Vadim Y.
Published: August 2024

The first steps of vision take place in the ciliary outer segment compartment of photoreceptor cells. The protein composition of outer segments is uniquely suited to perform this function. The most abundant among these proteins is the visual pigment, rhodopsin, whose outer segment trafficking involves intraflagellar transport (IFT). Here, we report three major findings from the analysis of mice in which ciliary transport was acutely impaired by conditional knockouts of IFT-B subunits. First, we demonstrate the existence of a sorting mechanism whereby mislocalized rhodopsin is recruited to and concentrated in extracellular vesicles prior to their release, presumably to protect the cell from adverse effects of protein mislocalization. Second, reducing rhodopsin expression significantly delays photoreceptor degeneration caused by IFT disruption, suggesting that controlling rhodopsin levels may be an effective therapy for some cases of retinal degenerative disease. Last, the loss of IFT-B subunits does not recapitulate a phenotype observed in mutants of the BBSome (another ciliary transport protein complex relying on IFT) in which non-ciliary proteins accumulate in the outer segment. Whereas it is widely thought that the role of the BBSome is to primarily participate in ciliary transport, our data suggest that the BBSome has another major function independent of IFT and possibly related to maintaining the diffusion barrier of the ciliary transition zone.
Nostalgia for the future of Construction Grammar
Authors: van Trijp Remi
Published: August 2024

Construction Grammar is a nomadic family of theoretical approaches whose members are constantly moving in various
directions. The diversity in construction-based approaches is a clear sign of a thriving and tolerant research community, but it
also risks muddying the waters, leading to potential confusion. In this paper, I argue that the main source of confusion about
Construction Grammar stems from the community’s gradual evolution from the traditional view of languages as static, idealized
entities (the “aggregate” perspective) to the view of language as a complex adaptive system (the “population” perspective). While
the aggregate perspective abstracts away as much as possible from variation and language usage, the population perspective greatly
emphasizes the dynamics of language and situated communicative interactions. This paper illustrates what it means to perform
constructional analyses from the population perspective; and argues that Construction Grammar is particularly well-positioned to
lead the way in this new kind of linguistics, indicating that our community has a bright future ahead.
Usage-based constructionist approaches and large language models
Authors: Goldberg Adele E.
Published: August 2024

The constructionist framework is more relevant than ever, due to efforts by a broad range of researchers across
the globe, a steady increase in the use of corpus and experimental methods among linguists, consistent findings from laboratory
phonology, neuroscience, sociolinguistics, and striking progress in transformer-based large language models. These advances
promise exciting developments and a great deal more clarity over the next decade. The constructionist approach rests on two
interrelated but distinguishable tenets: a recognition that constructions pair form with function at varying levels of specificity
and abstraction, and the recognition that our knowledge and use of language are dynamic and based on language use.
Thewo Tibetan’s /ta33/ and /nə33/
Authors: Powell Abe
Published: August 2024

This paper has three aims. First, in its form, this paper uses a narrative style to overtly highlight the iterative process used to identify the meaning of the two suffixes in question. Second, this paper seeks to describe the intricate workings of two verbal suffixes in Thewo Tibetan. Finally, this paper makes a defense of why these two suffixes belong to the category of evidentiality. Thewo Tibetan is spoken in China on the Gansu-Sichuan border. The suffixes /ta33/ and /nə33/ appear either directly after action verbs, or directly after the progressive aspect marker. /nə33/ is used to express that the speaker has sensory information of their claim at the time of the speech act. The temporal nature of the evidence, whether it is sensory information of the act itself or of the results of the act, is determined in part by the semantics of the verb (telic vs non-telic). In contrast, /ta33/ is used to express that at the time of the speech act, the speaker no longer has sensory evidence (but formerly did) of the stated action. Based upon these observations, this paper argues that temporal space and verbal semantics are key to understanding the cognition which underlies interpreting /nə33/ and /ta33/. As such, this paper makes the following three contributions: (1) In its form it provides an anecdote of failures and success along the path to identifying the function and meaning of two evidential suffixes; (2) It introduces two suffixes of the hitherto un-described Thewo Tibetan evidential system; and (3) It gives an in-depth analysis of these suffixes and offers evidence to support the claim that they are evidential suffixes.
Fourier method for inverse source problem using correlation of passive measurements*
Authors: Triki Faouzi , Linder-Steinlein Kristoffer , Karamehmedović Mirza
Published: August 2024

We consider the inverse source problem for the time-dependent, constant-coefficient wave equation with Cauchy data and passive cross-correlation data.We propose to consider the cross-correlation as a wave equation itself and reconstruct the cross-correlation in the support of the source for the original Cauchy wave equation. Having access to the cross-correlation in the support of the source, we show that the cross-correlation solves a wave equation, and we reconstruct the cross-correlation from boundary data to recover the source in the original Cauchy wave equation. In addition, we show the inverse source problem is ill-posed and suffers from non-uniqueness when the mean of the source is zero and provide a uniqueness result and stability estimate in case of non-zero mean sources.
A Kirchhoff Migration scheme for elastic obstacle identification
Authors: Rabinovich Daniel , Givoli Dan
Published: August 2024

Kirchhoff Migration (KM), sometimes called Arrival (or Travel) Time Imaging, is a basic and popular imaging technique based on the arrival time of waves from given sources to given sensors. It is commonly used in the fields of underwater acoustics and solid earth geophysics, for both subsurface structure analysis and for identifying unknown local obstacles (scatterers) in the medium. The present paper concentrates on the latter application. For acoustics, the KM algorithm is extremely simple and efficient, although it usually produces a rather crude image, which is the reason for its use as the method of choice when high resolution is not needed, or as a fast technique to produce an initial guess for a more sophisticated imaging method. For elasticity, KM is much more involved, as the arrival-time algorithm is not obvious, mainly since there is more than one wave speed at each spatial point. In this paper, a new KM scheme is proposed for obstacle identification in an isotropic piecewise-homogeneous elastic medium. The scheme is based on measuring two quantities that are second-order operators of the displacement field, which are related to P and S waves, and applying the acoustic KM algorithm to each of them, with the appropriate wave speed. It is demonstrated numerically that the operator related to S waves results in very good identification in many cases. The fact that measurements based on the S-related operator are preferred over those based on the P-related operator is an empirical observation, and awaits full analysis, although a partial explanation is given here.
Fabrication of large frame zincophilic bimetallic compounds as protective coatings for highly efficient Zn metal anodes
Authors: Song Yi-Han , Yang Guo-Duo , Wang Tong , Wang Zhuo , Zhou Su-Min , Wu Xing-Long , Sun Hai-Zhu
Published: August 2024

The integration of an artificial protective coating into the Zn metal anode is considered as a highly efficient approach to minimize growth of Zn dendrites. The present study involves the design and synthesis of NiCo nanomaterials featuring a three-dimensional (3D) open structure and an abundance of active groups on their surface. Subsequently, NiCo nanomaterials are applied as a protective coating onto Zn foil to safeguard the Zn anode. The NiCo protective coating provides a rich zincophilic site, thus enhancing the stability of the electrode and effectively inhibiting Zn dendrite growth. Hence, the NiCo@Zn\\|NiCo@Zn symmetric cell with a lifespan up to 950 h at a current density of 2 mA cm−2. When paired with NH4V4O10, the full battery exhibits satisfied ultra-long cycle stability, maintaining good capacity retention after 3000 cycles at 10 A g−1. This work provides a new idea for the practical application of zinc ion batteries.