bluuebunny/crossref_metadata_2025 huggingface dataset:
Advanced Computational Insights Into the Optical, Electronic, and Thermoelectric Characteristics of Novel Rare‐Earth Ternary Chalcogenides
Authors: Mohamed Abdelhay Salah , Abbas Faheem
Published: September 2024

Rare‐earth ternary materials are distinguished by their tunable optoelectronic characteristics and high thermal stability. First principles computations examine the intricate interaction of novel rare‐earth‐based ternary chalcogenide's electronic, optical, and thermoelectric properties. The spin‐down channel of PrHSe exhibits a substantial energy gap resulting in half‐metallic behavior. The f orbitals of Pr and Er play an important role in forming bonds with Se and H atoms, contributing significantly to the valence band. The preponderance of Pr‐f and Er‐f orbitals near the top of the valence band indicate that electrons in these orbitals are the most energetic and participate in bonding interactions within these materials. The ErHSe has a greater absorption rate than PrHSe, and both materials behave isotropically in the xx and zz directions. The highest peaks of the reflection coefficient (50%–70%) in the 1.0–13.8 eV range suggested a significant level of UV reflectivity. The PrHSe has a higher intrinsic carrier concentration for conduction than ErHSe. At lower temperatures, carrier concentrations increase due to thermal activation processes, improving the Seebeck coefficient in these materials.
A CuBTC/CuS Photocatalyst for Organic Dyes: Degradation Kinetics and Mechanistic Insights
Authors: Souza Brenand A. S. , Freitas Denilson V. , Lima Vanessa N. , Filho Cicero I. S. , Machado Giovanna , Navarro Marcelo
Published: September 2024

Organic dyes derived from industrial processes have harmful potential to aquatic systems and require novel oxidative treatment. Metal‐organic frameworks (MOF) couple high adsorption capacity and photocatalytic action, which can be improved through heterojunctions. In this work, CuBTC (MOF) photocatalyst was synthesized by an electrochemical methodology, and the in situ CuS templated formation by addition of Na2S solution, giving CuBTC/CuS composites. The synthesized CuBTC MOF and CuBTC/CuS composites were characterized by XRD, FTIR, TGA, and EDX. The adsorptive capacity and photocatalytic properties were evaluated by the photocatalytic performance against methylene blue (MB) aqueous solution, under dark and simulated solar irradiation. Under simulated solar irradiation, the CuBTC/CuS achieved 87 % dye photodegradation after 120 min, 1.7 times higher than CuBTC. The photocatalytic action mechanisms were investigated by free‐radical capture experiments. At the equilibrium, the photocatalytic process presented pseudo‐first‐order (PFO) and pseudo‐second‐order (PSO) non‐linear kinetic models, showing a higher correlation with the PFO model, with a rate constant of 94.3×10−3 min−1. The photocatalytic performance of the composite was also evaluated over five cycles, decreasing to 68 %. The proposed strategy showed promise for the developing of highly effective materials to combat water pollution.
I2/H2O2 Mediated Synthesis and Photophysical Properties of Imidazole‐Fused Heterocycles via [4+1] Cyclization Approach
Authors: Li Haonan , Gao Chenping , Liu Qingjie , Guo Yanchun , Zhao Yufen
Published: September 2024

An efficient I2 (10 mmol %)/H2O2 mediated oxidative formal [4+1] cyclization of 2‐pyridinemethylamine or o‐phenylenediamine (2‐aminobenzenethiol) with benzaldehyde via C−N bond formation has been developed. This strategy provides a straightforward approach to imidazo[1,5‐a]pyridines, iodo‐substituted imidazo[1,5‐a]pyridines and benzimidazole (benzothiazole) derivatives in yields ranging from 60 % to 98 %, respectively. Several heterocyclic products exhibit promising blue luminous performance with satisfactory fluorescence quantum yields of up to 64 %, large Stokes shifts, and a longer lifetime (7.35 ns). The band gap energies obtained from DFT are also consistent with the absorption spectra.
Corrosion Resistance of a Magnesium Alloy Surface with a Superhydrophobic Oxidation Coating
Authors: Wang Guozhang , Liu Feng
Published: September 2024

In view of the importance of metal coatings, this study addresses the ion concentration of the anti‐corrosive coating's immersion solution. The physical properties of the coating surface, such as molecular characteristics, smoothness, and structural strength, were changed by adding nano‐SiO2 in the immersion solution to formulate the best scheme for anti‐corrosive performance. The composite coating was prepared on the surface of AZ31B magnesium alloy by electroless plating. Besides, the surface coating based on AZ31B substrate has high‐quality corrosion resistance to different types of contaminated media. The experimental results demonstrate that the nanocomposite coating can form an ultrafine particle‐filling effect on the metal surface, which is lower than the drag force of the conventional metal surface. Considering the slip velocity gradient in the contact coating area, we reduce the shear stress and drag force, verifying the nanocomposite coating's effect on reducing the reaction force. The contact angle of water droplets in the composite coating is greater than 158.7°. The study finally verifies that the prepared coating has good self‐cleaning potential which can prevent the corrosion of different polluted media.
Selective Cleavage and Structural Stability of Double Crosslinked Aromatic Polyamide Porous Materials
Authors: Yoshioka Yayoi
Published: September 2024

A porous, crosslinked aromatic polyamide having COCl and COOH groups (referred to as PA herein) prepared had a mesoporous structure and comprised agglomerates of particles with average diameters of approximately 30 nm. The PA was found to swell with significant deformation in response to water vapor, but was almost unchanged after exposure to toluene vapor. The polymeric structure returned to its original porous morphology after removal of the solvents, demonstrating that the PA possessed affinity for specific solvents and shape memory. The chemical composition and porous structure of the PA were also not affected by heating to 330 °C. The COCl groups in the PA could be modified by reaction with 2,4,6‐triaminopyrimidine (TAP), resulting in a doubly crosslinked structure based on the reaction with the TAP as well as the existing amide moieties in the polymer. The degree of modification was highly dependent on the reaction solvent used. The porous structure of the PA was essentially unchanged after this modification. The TAP‐based crosslinks in the modified PA could be selectively cleaved along with vaporization of the TAP by heating at 330 °C, which no change to the porous structure. Thus, the PA showed excellent heat resistance and structural stability.
Sulfuric Acid Leaching of Carbonatite ore with High Calcite Content in Lugiin Gol under Ambient Condition
Authors: Sukhbaatar Batchuluun , Purevjargal Daramjav , Tuul Sanjugar , Altangerel Amarsanaa , Sarangerel Davaasambuu
Published: September 2024

Carbonatite bearing rare earth elements are rich sources of rare earth elements and play a critical role in the global supply chain. While carbonatite deposits are less accessible compared to ion adsorption clays, their mineral composition makes them essential for rare earth element extraction. Extraction of rare earth elements from carbonatite ore involves acid leaching, a process that we aim to explore in this study using the carbonatite ore from Lugiin gol. Characterization of the raw material and solid residue post‐leaching was conducted using X‐ray diffractometry, inductively coupled plasma optical emission spectroscopy, and a zeta potential analyzer. These analytical techniques were utilized for kinetic modeling, assessing the influencing factors of leaching, and determining metal recovery in the pregnant solution. The results of the study highlight the significant role of surface charge formation on target particles during milling in the acidic leaching process. This finding shed light on the importance of understanding the surface properties of the particles in the extraction of rare earth elements from carbonatite ores. The surface of particles in the supernatant of rare earth elements’ ore was negatively charged, with the median zeta potential of the 0.025 mm fraction being at its minimum of −60.6 mV.
New Type of Ferrocene‐Betulonic Acid Hybrids. Bioactivity, Synthesis, Structure, IR and CD versus DFT Calculations
Authors: Snegur Lubov V. , Kaverin Mikhail V. , Borisov Yurii A. , Kiselev Sergey S. , Ostrovskaya Larisa A. , Nekrasova Elizaveta I. , Bluhterova Natalia V. , Khochenkova Yulia A. , Simenel Alexander A.
Published: September 2024

Ferrocene‐modified natural compounds are of interest for the development of new pharmaceuticals due to improved bioavailability, increased bioactivity, and also as redox markers or vectors. Betulin is a natural plant‐derived product with a wide range of pharmacological properties. However, it is limited in its bioavailability and efficacy. In order to enhance its pharmacological profile, the ferrocene modification of betulin was used in this study. A hybrid of the betulin core (up to 30 % betulin in birch bark) with a ferrocene moiety combined through a piperazine linker (compound 12) was prepared in good yield from readily available ferrocene carboxylic acid and betulonic acid, a natural betulin derivative, via coupling reactions. Spectroscopic techniques, including 1H and 13C NMR, IR and UV‐vis spectroscopy, as well as circular dichroism (CD), were applied to characterize the physicochemical and chiroptical properties. The cytotoxicity of the synthesized hybrid 12 and its ferrocene precursor 13 on MCF‐7 human cancer cell lines were in vitro evaluated by the MTT assay. The IC50 cytotoxicity index of 12 was found to be 26 μM. The theoretically calculated energies of the HOMO‐LUMO orbitals and electronic characteristics of betulin 10, betulonic acid 11, hybrid 12 and ferrocenyl piperazine 13 were determined by the DFT method with hybrid functionals ωB97XD, LC‐ωPBE and B3LYP‐D3 and pure M06 L functionals, with a 6‐311+G(d), 6‐31G(d) or TZV basis set.
Chemically Stable NiMoO4/NRGO Asymmetric Capacitor
Authors: Shejini Raja , Mohanraj Kannusamy , Henry Johnson , Sivakumar Ganesan
Published: September 2024

In this work, a chemically stable NiMoO4/NRGO nanocomposite was prepared via a facile hydrothermal method. The flower‐like structure of NiMoO4 (NMO) nanoparticles is randomly distributed on the surface of nitrogen‐doped reduced graphene oxide (NRGO) sheets, as observed in FESEM images. Compared to related reports, the NMO/NRGO (II) nanocomposite exhibits an excellent high surface area of 368.9 m2 g−1 and a mesoporous nature, as shown in N₂ adsorption‐desorption isotherms. The specific capacitance of the NMO/NRGO (II) electrode is 721 F g−1 at 1 A g−1 using a 6 M KOH electrolyte, retaining 91.2 % of its initial value after 5000 cycles. Electrochemical impedance spectroscopy (EIS) reveals that the electrode has a lower charge‐transfer resistance, indicative of good electrochemical behavior. An asymmetric device consisting of NMO/NRGO (II) || activated carbon (AC) electrodes exhibits a high energy density of 49.1 Wh kg−1 at 524.4 W kg−1 within a voltage range of 1.4 V, retaining 89 % of its initial capacitance after 5000 cycles, demonstrating good cyclic durability. These results suggest that the NMO/NRGO (II) electrode is a promising active material for supercapacitor devices.
Cellular Nanointerface of Vertical Nanostructures: Impact of Size‐Modulated Nanopillar Arrays on Neuronal Morphology, Maturation, and Synapse Formation
Authors: Cho Younghak , Kim Suyeon , Cho Hui Jae , Ham Hyunju , Lee Kyung Eun , Kang Hyun Wook , Jeong Young Woo , Ahn Jae‐Hyuk , Choi Nakwon , Kang Joon Ho , Chung Aram J. , Seong Hyejeong
Published: September 2024

Investigating the cellular mechanisms facilitated by highly ordered nanostructures in vitro neuronal networks is crucial for advancing biomedical research. However, the intricate effects of these nanostructures on cellular behavior remain unclear. Herein, we explore how variations in nanopillar (NP) array dimensions, defined by the spacing‐to‐diameter (S/D) ratio, influence cortical neuronal responses—including cellular morphology, mechanosensing, neuronal maturation, and synapse formation. NP arrays with a low S/D ratio accelerate neurite protrusion and enhance neuronal maturation. These topography‐driven changes are attributed to the degree of cell confinement on NPs, which can be visualized using focused ion beam scanning microscopy. Furthermore, the synaptic density in cortical neurons declines as the S/D ratio decreases, with neurons preferring to form synapses along the NPs. By utilizing correlative light and electron microscopy, the spatial organization of these synapses is mapped relative to the NP geometries, revealing specialized synaptic regions with remarkable clarity. This approach to designing high‐aspect‐ratio nanostructures with various S/D ratios holds broad applications in materials engineering, offering insights into nervous system engineering and neural‐interfacing bioelectronics.
Mechanical properties and damping ratio of gradient polymer concrete for damping beam structure
Authors: Yin Jicai , Ren Chonggang , Bian Bingchuan , Guo Peng , Xie Xuehu
Published: September 2024

Due to its higher overall performance than ordinary concrete, polymer concrete (PC) beam has been widely used in the field of structural engineering. However, it is widely recognized that PC cannot simultaneously achieve the highest mechanical strength and optimal damping performance to reduce vibration during its long‐term service lifetime. To address this contradiction, the effect of various diluents contents on the overall performance of PC was investigated first in this investigation. Experimental findings revealed that the bending strength of PC exhibits an initial increase followed by a decrease with an increment of diluents, while its damping ratio displays an inverse trend. To obtain excellent overall performance (higher flexural strength and damping ratio) of PC, gradient PC has been manufactured by horizontal partition casting process (HPCP) and stereoscopic layered casting process (SLCP). Experimental results demonstrated that the gradient PC manufactured by HPCP exhibited better overall performance compared to SLCP. Furthermore, the graphite and carbon fiber were incorporated into the above gradient PC, and experimental results revealed that the incorporated graphite and carbon fiber can further increase the overall performance of the above gradient PC. Similarly, the incorporation of glass fiber cloth and carbon fiber cloth, along with surface treatment, significantly enhanced the overall performance of PC. The significance of this study lies in enhancing the comprehensive performance of PC beam structures, thus broadening its utilization scope within structural engineering.
Green Hydrogen Production From Non‐Traditional Water Sources: A Sustainable Energy Solution With Hydrogen Storage and Distribution
Authors: Qureshi Fazil , Asif Mohammad , Khan Abuzar , Aldawsari Hamad , Yusuf Mohammad , Khan Mohd Yusuf
Published: September 2024

Green hydrogen development plays an essential role in creating a sustainable and environmentally conscious society while reducing reliance on traditional fossil fuels. Proton Exchange Membrane Water Electrolysers (PEMWEs), are sensitive to water quality, with various impurities impacting their efficiency, the quality of the hydrogen produced, and the device‘s lifespan. High‐purity water is required for PEM electrolyzers; Type II water, which is required for commercial electrolyzers, must have a resistivity greater than 1 MΩ cm, sodium, and chloride concentrations less than 5 μg/L, and total organic carbon (TOC) content less than 50 parts per billion. The majority of electrolyzers operate on freshwater, or total dissolved solids (TDS) <0.5 g/kg, whereas brackish, rainwater, wastewater, and seawater have TDSs of 1–35 g/kg, 0.01–0.15 g/kg, 0.5–2 g/kg, and 35–45 g/kg, respectively. This critical review offers, for the first time, a comprehensive overview of relevant impurities in operating electrolyzers and their impact. The findings of this study indicate that electrolysis‐based H2 processes are promising options that contribute to the H2 production capacity but require improvements to produce larger competitive volumes. In addition, the main challenges and opportunities for generating, storing, transporting, and distributing hydrogen, as well as large‐scale adoption are discussed.
Empowering Agency: Enhancing Health Literacy Among Migrant Women Through Health Parties: A Case Study
Authors: Hedlund Marianne , Zhao Yan , Gjernes Trude Karine Olaug
Published: September 2024

This chapter explores how agency involvement through Health Parties can generate and promote learning agencies for migrant women to enforce health literacy. The Norwegian healthcare system struggles to provide sufficient responses to the needs of current and potential patients of the migrant population, particularly migrant women. A lack of cultural sensitivity and a more bottom-up approach is needed. Inspired by Tupperware Parties, this chapter explores the model of Health Parties, initiated by the female network of migrant women, called Kvinnenettverket Noor in Norwegian. A Health Party is based on a model where a host invites female friends, family, and acquaintances to a party to share information and learn about a relevant health issue by creating an appropriate space for discussion among experts and participants. This model can be employed when working to fulfil the United Nations Sustainable Development Goals concerning health and equity for migrant women. An explorative qualitative community-based participatory study design was employed. Data were collected by analysing participant observations and semi-structured face-to-face interviews in seven arranged Health Parties from September 2015 to March 2016. Health Parties generate learning agencies by providing space for active participation for migrant women. The healthcare system, which is based on Norwegian norms and culture, created cultural alienation and barriers that migrant women need space and knowledge to overcome. The results show the need for a public healthcare system and its professionals to be more sensitive and better adjusted to cultural diversity. They also provide insights into how migrant women gain agency about health issues by attending a Health Party. New ways of communication are required and found in the model of Health Parties for addressing health literacy among migrant women.
Conclusion
Authors: Kvangarsnes Marit , Landstad Bodil J. , Bårdsgjerde Elise Kvalsund , Hole Torstein
Published: September 2024

The United Nations has warned that there is a lack of progress in reaching the Sustainable Development Goals (SDGs), affecting the world’s poorest and most vulnerable people. These global challenges mean that the need for increasing levels of health literacy is more urgent than ever. Our responses to this are covered from a historical perspective in Parts I and II, alongside key aspects relevant to clinical practice and research. A comprehensive model for patient participation with a new perspective relevant to both research and practice is also presented. An overview of relevant qualitative research models is also described: this type of approach may provide a greater in-depth understanding of patients’ experiences of various diseases. Transforming our world for sustainable development requires a systematic and a pedagogical approach to health literacy. To this end, we examine a pedagogical model for building health literacy alongside a strategy to improve supervision. Part III showcases studies to exemplify the importance of health literacy in different non-communicable diseases and from different perspectives. To conclude, we argue that the way forward for health literacy and strategies is to increase the emphasis on this area in current SDGs, and within future policies set for achieving these SDGs. These steps would serve to increase health literacy across the globe.
Konzepte, Herausforderungen und Auswirkungen digitaler Führung und Zusammenarbeit
Authors: Antoni Conny H. , Hellert U. , Latniak Erich
Published: September 2024

Der Einsatz digitaler Informations- und Kommunikationstechnologien (IKT) und generativer künstlicher Intelligenz revolutioniert die Arbeitsprozesse und verändert die Anforderungen an Führung und Zusammenarbeit. Digitale Führung und Zusammenarbeit, beschreibt Prozesse sozialer Einflussnahme und Interaktion, die über digitale IKT vermittelt wird. Digitale und hybride Arbeitsformen bieten die Chance zur flexiblen und selbstregulierten Arbeitsgestaltung, müssen aber auch die Grenzen zwischen Arbeit und Privatleben wahren. Sie stellen Führungskräfte und Teammitglieder vor die Herausforderung trotz fehlender oder eingeschränkter persönlicher Begegnung, gegenseitiges Vertrauen aufzubauen und alle Teammitglieder effektiv in den Kommunikations- und Arbeitsprozess einzubinden und Belastungen und Ressourcen auszubalancieren. Erfolgreiche digitale Führung und Zusammenarbeit erfordert eine aufeinander abgestimmte Optimierung technischer und sozialer Systeme sowie die Entwicklung von Vertrauen und Selbstregulationskompetenzen. Indirekte Führung und partizipative Entscheidungsfindung sind entscheidend, um die Leistungsfähigkeit und Gesundheit der Teammitglieder zu fördern. Das Verbundprojekt „vLead“ (www.vlead.de) hat in drei Teilprojekten diese Herausforderungen analysiert und folgenden praxisnahe Ansätze zur Unterstützung digitaler Führung und Teamarbeit entwickelt, die in diesem Beitrag zusammenfassend skizziert werden:

Orgacheck zur Analyse des Standes digitaler Führung und Zusammenarbeit im Unternehmen

Teamcheck zur Analyse und Unterstützung für digitaler Teamarbeit

Ideacheck zur Unterstützung digitaler Innovationsprozesse

Ansätze zur Unterstützung und Reflexion der Arbeitsbedingungen operativer Führungskräfte

Kompass – Instrumente zur Entwicklung von Zeitkompetenz und Vertrauen bei digitaler Teamarbeit
vLead-IdeaCheck – eine online Plattform zum Ideenmanagement für Unternehmen
Authors: Antoni Conny H. , Bernardy V. , Niesen A. T. , Trieb Rainer , Grün Ulrike
Published: September 2024

Für die Innovationsfähigkeit eines Unternehmens ist es nicht nur wichtig, dass gute Ideen eingebracht werden. Erst deren transparente Prüfung und gemeinsame Weiterentwicklung führt zu umsetzbaren Innovationen. Digitale Zusammenarbeit kann das Vertrauen und den Austausch zwischen Führungskräften und Teammitgliedern beeinträchtigen, die für die gemeinsame Ideenentwicklung notwendig sind. Zur Lösung dieser Probleme haben wir das Online-Tool IdeaCheck (ideacheck.vlead.de) für das unternehmensweite Ideenmanagement entwickelt, das in diesem Beitrag vorgestellt wird. Ziel des IdeaChecks ist es, Innovationsprozesse transparent zu machen, die hierzu notwendige abteilungsübergreifende Zusammenarbeit und einen fairen und nachvollziehbaren Bewertungsprozess zu unterstützen. Als Online-Tool bietet der IdeaCheck die Möglichkeit, eigene Ideen sichtbar einzubringen und Unterstützer im gesamten Unternehmen zu finden, die diese Idee fördern und vorantreiben. Durch transparente Prozesse, Entscheidungskriterien und Rückmeldungen ermöglicht er Orientierung, welche Schritte zu gehen sind und anhand welcher Kriterien die jeweils zuständigen Gremien eine Idee beurteilen, um so Ideen erfolgreich zu Innovationen zu entwickeln. Zugleich ermöglicht der IdeaCheck als Wissensspeicher einen Überblick darüber, welche Ideen im Unternehmen schon existieren, an welchen mitgearbeitet und die eigene Expertise eingebracht werden kann. Unternehmen können das Tool individuell konfigurieren und die Anzahl der Schritte und Entscheidungen sowie die Art der Entscheidungskriterien für einzelne Unternehmensbereiche, Produkte oder Dienstleistungen festlegen.
Boundary Structure of the Standard Model Coupled to Gravity
Authors: Canepa Giovanni , Cattaneo Alberto S. , Fila-Robattino Filippo , Tecchiolli Manuel
Published: September 2024

In this article a description of the reduced phase space of the standard model coupled to gravity is given. For space or time-like boundaries this is achieved as the reduction of a symplectic space with respect to a coisotropic submanifold and with the BFV formalism. For light-like boundaries the reduced phase space is described as the reduction of a symplectic manifold with respect to a set of constraints. Some results about the Poisson brackets of sums of functionals are also proved.
Constitutive expression of the deubiquitinating enzyme CYLD does not affect microglia phenotype or function in homeostasis and neuroinflammation
Authors: Schramm Eva , Becker Vanessa , Palagi Ilaria , Müller Melanie , Rösler Thomas , Durak Feyza , Ebering Anna , Karram Khalad , von Stebut Esther , Schmeisser Michael J. , Waisman Ari
Published: September 2024

The deubiquitinating enzyme CYLD negatively regulates NF-κB signaling by removing activating ubiquitin chains from several members of the NF-κB pathway. Thereby, CYLD is critical for the maintenance and differentiation of various immune cells. Despite the importance of the NF-κB pathway in microglia regulation, the role of CYLD in microglia has not been investigated so far. In this study, we investigated whether CYLD in microglia can protect against neuroinflammation using a newly generated conditional mouse strain (Rosa26-Cyld-tdTomato) that allows cell type-specific CYLD overexpression. Here, we show that overexpression of CYLD in microglia did not alter microglia numbers or microglia morphology in different brain regions. Additionally, CYLD overexpression did not modify the microglial response to LPS-induced neuroinflammation or the disease severity in experimental autoimmune encephalomyelitis (EAE). Finally, also immune cell infiltration into the CNS during EAE and under steady state conditions remained unaffected by microglial CYLD overexpression. Our findings suggest that CYLD overexpression does not alter microglial function, and thus does not represent a viable therapeutic strategy in neuroinflammatory conditions. This study highlights the complexity of ubiquitin-mediated signaling in neuroinflammation and the need for cell-type-specific investigations. The Rosa26-Cyld-tdTomato mouse model offers a valuable tool for studying CYLD’s role across various tissues and cell types.

Key messages

Novel mouse strain for cell type-specific overexpression of the deubiquitinating enzyme CYLD.

CYLD overexpression in microglia did not alter microglia numbers or morphology in the steady state.

CYLD overexpression in microglia did not protect mice from LPS-induced neuroinflammation or EAE.

CYLD overexpression in microglia did not influence their gene expression during neuroinflammation.
An integrated multi-omics analysis of the effects of the food processing-induced contaminant 2-monochloropropane-1,3-diol (2-MCPD) in rat heart
Authors: Cayer Lucien G. J. , Buhrke Thorsten , Roberts Jennifer , Nunnikhoven Andrée , Sommerkorn Katharina , Reinhold Anna , Braeuning Albert , Raju Jayadev , Aukema Harold M. , Karakach Tobias
Published: September 2024

Many foods including edible oils contain 2-monochloropropane-1,3-diol (2-MCPD), a processing-induced chemical contaminant. Cardiotoxic effects have been shown to result from oral 2-MCPD exposure in rodents, but the underlying mechanisms of action remain poorly understood. We undertook a comprehensive multi-omics approach to assess changes at the transcriptomic, proteomic, and oxylipin levels in heart tissues from male F344 rats that were exposed to 0 or 40 mg/kg BW/day of 2-MCPD in the diet for 90 days, in a regulatory compliant rodent bioassay. Heart tissues were collected for RNA sequencing, quantitative PCR analysis, proteomic analysis via two-dimensional gel electrophoresis and mass spectrometry, and targeted lipidomic profiling by high-performance liquid chromatography–tandem mass spectrometry (HPLC–MS/MS). Transcriptomic and proteomic data analyses revealed upregulation of immune/inflammatory response processes and downregulation of energy metabolism and cardiac structure and functions. Among differentially expressed gene–protein pairs, coronin-1A, a key leukocyte-regulating protein, emerged as markedly up-regulated. Oxylipin profiling highlighted a selective suppression of docosahexaenoic acid-derived metabolites, suggesting a disruption in cardioprotective lipid pathways. These findings suggest that 2-MCPD disrupts homeostasis through inflammatory activation and suppression of metabolic and cardiac function. This research provides insights into 2-MCPD's cardiotoxicity, emphasizing the need for further studies to support hazard characterization.
Reliability of brain volume measures of accelerated 3D T1-weighted images with deep learning-based reconstruction
Authors: Jung Woojin , Jeong Geunu , Kim Sohyun , Hwang Inpyeong , Choi Seung Hong , Jeon Young Hun , Choi Kyu Sung , Lee Ji Ye , Yoo Roh-Eul , Yun Tae Jin , Kang Koung Mi
Published: September 2024

Purpose

The time-intensive nature of acquiring 3D T1-weighted MRI and analyzing brain volumetry limits quantitative evaluation of brain atrophy. We explore the feasibility and reliability of deep learning-based accelerated MRI scans for brain volumetry.

Methods

This retrospective study collected 3D T1-weighted data using 3T from 42 participants for the simulated acceleration dataset and 48 for the validation dataset. The simulated acceleration dataset consists of three sets at different simulated acceleration levels (Simul-Accel) corresponding to level 1 (65% undersampling), 2 (70%), and 3 (75%). These images were then subjected to deep learning-based reconstruction (Simul-Accel-DL). Conventional images (Conv) without acceleration and DL were set as the reference. In the validation dataset, DICOM images were collected from Conv and accelerated scan with DL-based reconstruction (Accel-DL). The image quality of Simul-Accel-DL was evaluated using quantitative error metrics. Volumetric measurements were evaluated using intraclass correlation coefficients (ICCs) and linear regression analysis in both datasets. The volumes were estimated by two software, NeuroQuant and DeepBrain.

Results

Simul-Accel-DL across all acceleration levels revealed comparable or better error metrics than Simul-Accel. In the simulated acceleration dataset, ICCs between Conv and Simul-Accel-DL in all ROIs exceeded 0.90 for volumes and 0.77 for normative percentiles at all acceleration levels. In the validation dataset, ICCs for volumes > 0.96, ICCs for normative percentiles > 0.89, and R2 > 0.93 at all ROIs except pallidum demonstrated good agreement in both software.

Conclusion

DL-based reconstruction achieves clinical feasibility of 3D T1 brain volumetric MRI by up to 75% acceleration relative to full-sampled acquisition.
MRI analysis of the physiological patellofemoral joint morphology of adult knees
Authors: Meier Marc-Pascal , Hochrein Yara , Seitz Mark-Tilmann , Roch Paul Jonathan , Jäckle Katharina , Seif Amir Hosseini Ali , Lehmann Wolfgang , Hawellek Thelonius
Published: September 2024

Objective

The aim of the present study was to determine physiological reference values for the morphology of the patella and to analyse these parameters according to patella position in healthy knee joints.

Material and methods

Healthy knee joints of 409 patients (mean age, 52.3 years [± 16.8]) were analysed retrospectively on MRI images for Insall-Salvati index (ISI), sagittal patella thickness (PTS) and patella length (PLS) as well as axial patella thickness (PTA) and patella width (PWA). Differences between patellar diameters were analysed depending on ISI, side, age and gender.

Results

Mean PTS was 20.1 mm (± 2.4), PLS 44.0 mm (± 4.4), PTA 21.8 mm (± 2.4) and PWA 44.5 mm (± 4.7). Depending on the vertical patellar position (ISI), all patellar parameters (p < 0.01) showed significant differences between patients with a patella alta, norma and baja. In general, a smaller ISI showed higher measured values for the patellar parameters. There were no significant differences for the laterality. Only PTS showed a significant age difference (p = 0.031). All parameters were significantly larger in male compared to female knees (p < 0.001).

Conclusion

Reference parameters for the patella morphology are reported. Concluding from the results, a relationship between vertical patellar position and patellar morphology seems to exist. This finding should be taken into account in diagnostics and therapy of patella disorders.
Investigation on sulfonated PVC/polymethyl methacrylate (PMMA)/polystyrene sulfonate (PSS) polymer blends as proton-conducting membrane
Authors: Elerian Ahmed F. , Mohamed AbdAllah A. , Elnaggar Elsayed M. , Abdel-Naeem Gamal , Abu-Saied M. A.
Published: September 2024

The design and development of cost-effective and increased methanol permeable and proton-conductive membranes are critical concerns in the fabrication of polymeric electrolyte membranes (PEM). A solution-casting process was used to create a low-cost PEM based on sulfonated polyvinyl chloride (SPVC)-Polymethyl methacrylate (PMMA) blended with varying concentrations of Poly(sodium 4-styrenesulfonate) (PSS). The contact angle, oxidative stability, swelling ratio, water uptake, and methanol uptake of SPVC/PMMA/PSS membranes were investigated as a function of PSS molar ratio. FT-IR examination, 1H NMR spectra, Raman spectroscopy, X-ray diffraction, thermogravimetric analysis (TGA), and scanning electron microscope micrographs were additionally utilized for confirming the chemical structure, morphology, and thermal stability of SPVC/PMMA/PSS membranes. Furthermore, the ion exchange capacity (IEC), proton conductivity, and methanol permeability of SPVC/PMMA/PSS membranes were investigated depending on the PSS concentration. The results showed a significant increase in proton conductivity from 1.80 × 10–2 for SPVC/PMMA/1%PSS to 4.7 × 10–2 S/cm for SPVC/PMMA/5%PSS at ambient temperature. On the other hand, the methanol permeability (P = 8.53 × 10–8 cm2/s) was noticeably lower than that of Nafion 117 (3.39 × 10–6 cm2/s). Additionally, the IEC of the manufactured membrane was 1.38 ± 0.7 meq g−1 for SPVC/PMMA/5%PSS compared to 0.91 meq g−1 for Nafion 117 membranes. The maximum water uptake of the synthesized membranes was 48.37 ± 2.27%, whereas Nafion 117 membrane absorption was 65.44%. According to conductivity studies and the membrane efficiency factor, the ideal PSS content in a polymer matrix is 4 wt.%. Finally, the developed SPVC/PMMA/PSS polyelectrolytic membranes show improvements in essential properties such as methanol permeability, proton conductivity, and IEC when combined with low-cost materials, making them an attractive contender as PEM for DMFCs.

Graphical abstract
Atmospheric patterns associated with summer sub-daily rainfall extremes in western Europe
Authors: Whitford Anna C. , Blenkinsop Stephen , Fowler Hayley J.
Published: September 2024

Large-scale atmospheric circulations are a significant driver of rainfall extremes. However, little attention has so far been devoted to understanding how large-scale circulation patterns influence sub-daily rainfall extremes. Using a gauge-based sub-daily rainfall dataset, we investigate the relationship between large-scale circulations and 3-hour extremes (defined here as ≥ 40 mm rainfall in 3 h) for western Europe. A set of 30 weather patterns (WPs) developed by the UK Met Office and reanalysis data of geopotential height at 500 hPa (z500) are used to represent large-scale atmospheric conditions. Strong associations with 3-hour extremes are found for a small number of WPs: over 50% of 3-hour rainfall extremes across Western Europe occur with just 5 WPs. Composites of z500 reveal the WPs resulting in southerly or south-westerly flow along the leading edge of a trough, accompanied by a ridge to the east or northeast, are most favourable for sub-daily rainfall extremes, with a statistically significant difference between the atmospheric conditions on WP days with a 3-hour extreme rainfall event compared to WP non-event days. Given that large-scale circulations are predictable much further in advance than individual extreme rainfall events, these identified relationships could therefore have important implications for forecasting, aiding in the early identification of periods with increased risk of short-duration rainfall extremes.
Vaskulitische Beteiligung der Skelettmuskulatur und des peripheren Nervensystems: Klinische und neuropathologische Perspektive
Authors: Ruffer Nikolas , Kleefeld Felix , Holzer Marie-Therese , Krusche Martin , Kötter Ina , Schneider Udo , Stenzel Werner
Published: September 2024

Das periphere Nervensystem ist ein häufiges Zielorgan von systemischen Vaskulitiden. Daneben kann auch die Skelettmuskulatur betroffen sein. Myalgien, Paresen und Sensibilitätsstörungen sind in diesem Zusammenhang typische Krankheitszeichen, die zu schwerwiegenden Funktionseinschränkungen und einer Beeinträchtigung der Lebensqualität führen können. Eine vaskulitische Affektion der Skelettmuskulatur (vaskulitische Myopathie, VM) und peripherer Nerven (vaskulitische Neuropathie, VN) tritt vorwiegend bei der Polyarteriitis nodosa und Kleingefäßvaskulitiden auf. Die VM präsentiert sich mit erhöhten Entzündungsparametern und ist typischerweise durch immobilisierende Myalgien mit normwertiger Kreatinkinaseaktivität und diffuse oder fleckige Hyperintensitäten in der T2-Wichtung in der MRT-Bildgebung gekennzeichnet („MRT-Myositis ohne Myositis“). Bei der VN entwickeln sich vorwiegend im Bereich der unteren Extremität sensomotorische Defizite im Versorgungsgebiet mehrerer peripherer Nerven (z. B. Mononeuritis multiplex) mit akuter bis subakuter Anamnese. Die histopathologische Untersuchung von Nerven- und Muskelbiopsien ist der Goldstandard für die Diagnose vaskulitischer Manifestationen und hat einen bedeutsamen Einfluss auf das therapeutische Vorgehen.
Single-cell transcriptomics reveal distinctive patterns of fibroblast activation in heart failure with preserved ejection fraction
Authors: Lanzer Jan D. , Wienecke Laura M. , Ramirez Flores Ricardo O. , Zylla Maura M. , Kley Celina , Hartmann Niklas , Sicklinger Florian , Schultz Jobst-Hendrik , Frey Norbert , Saez-Rodriguez Julio , Leuschner Florian
Published: September 2024

Inflammation, fibrosis and metabolic stress critically promote heart failure with preserved ejection fraction (HFpEF). Exposure to high-fat diet and nitric oxide synthase inhibitor N[w]-nitro-l-arginine methyl ester (L-NAME) recapitulate features of HFpEF in mice. To identify disease-specific traits during adverse remodeling, we profiled interstitial cells in early murine HFpEF using single-cell RNAseq (scRNAseq). Diastolic dysfunction and perivascular fibrosis were accompanied by an activation of cardiac fibroblast and macrophage subsets. Integration of fibroblasts from HFpEF with two murine models for heart failure with reduced ejection fraction (HFrEF) identified a catalog of conserved fibroblast phenotypes across mouse models. Moreover, HFpEF-specific characteristics included induced metabolic, hypoxic and inflammatory transcription factors and pathways, including enhanced expression of Angiopoietin-like 4 (Angptl4) next to basement membrane compounds, such as collagen IV (Col4a1). Fibroblast activation was further dissected into transcriptional and compositional shifts and thereby highly responsive cell states for each HF model were identified. In contrast to HFrEF, where myofibroblast and matrifibrocyte activation were crucial features, we found that these cell states played a subsidiary role in early HFpEF. These disease-specific fibroblast signatures were corroborated in human myocardial bulk transcriptomes. Furthermore, we identified a potential cross-talk between macrophages and fibroblasts via SPP1 and TNFɑ with estimated fibroblast target genes including Col4a1 and Angptl4. Treatment with recombinant ANGPTL4 ameliorated the murine HFpEF phenotype and diastolic dysfunction by reducing collagen IV deposition from fibroblasts in vivo and in vitro. In line, ANGPTL4, was elevated in plasma samples of HFpEF patients and particularly high levels associated with a preserved global-longitudinal strain. Taken together, our study provides a comprehensive characterization of molecular fibroblast activation patterns in murine HFpEF, as well as the identification of Angiopoietin-like 4 as central mechanistic regulator with protective effects.
The efficacy of mifepristone-misoprostol regimen versus misoprostol-only for medication abortion at 22 + 0/7 to 30 + 0/7 weeks’ gestation
Authors: Touval Or , Ellert Avital , Daykan Yair , Schonman Ron , Klein Zvi , Yagur Yael
Published: September 2024

Objective

This study aimed to compare duration of medication abortion after pretreatment with mifepristone versus misoprostol-only regimens at 22 + 0/7 to 30 + 0/7 weeks.

Methods

This retrospective cohort study included patients admitted for medication abortion from 2014 to 2022. Patients underwent feticide due to genetic or anatomical abnormalities at gestational age of 22 + 0/7 to 30 + 0/7 weeks. Excluded from this study were patients admitted at gestational age < 22 + 0/7 or > 30 + 0/7 weeks, with multiple gestation, with diagnosis of intrauterine fetal demise before feticide, with contraindication for vaginal delivery, and who were administered a medical regimen other than the mifepristone-misoprostol or misoprostol-only protocol. Information collected included patients’ demographics, clinical outcomes, additional procedural interventions, and complications. Data of patients treated with mifepristone-misoprostol versus misoprostol-only were compared.

Results

The study group included 46 patients in the mifepristone-misoprostol group and 35 in the misoprostol-only group. Median interval from first dose of misoprostol to fetal expulsion was shorter in the mifepristone-misoprostol group (10.6 vs. 15.3 h; p = 0.007) with shorter duration of hospitalization (3.5 ± 1.1 vs. 4.1 ± 1.2 days; p = 0.013). Study groups did not differ in terms of complications. Patients in the mifepristone-misoprostol group had a younger gestational age (23.8 ± 1.69 vs. 25.37 ± 2.4 weeks; p = 0.002). However, multivariable Cox regression found that mifepristone was independently associated with shorter abortion time (OR 1.7, 95% CI 1.03–2.9, p = 0.03).

Conclusion

Medication abortion with mifepristone-misoprostol was associated with shorter time to fetal expulsion at gestational ages 22 + 0/7 to 30 + 0/7 weeks, compared with misoprostol-only regimen.
Cannabis, cannabinoids and health: a review of evidence on risks and medical benefits
Authors: Hoch E. , Volkow N. D. , Friemel C. M. , Lorenzetti V. , Freeman T. P. , Hall W.
Published: September 2024

The legalization of cannabis for medical and recreational purposes has progressed internationally. Cannabis and cannabinoids are advocated for a plethora of medical indications. An increasing number of medical and nonmedical users regularly consume large doses of delta-9-Tetrahydrocannabinol (THC), the main active component of cannabis. Aim: to summarize the evidence on (1) risks of recreational cannabis use and (2) effectiveness and safety of medicinal cannabis. Findings on recreational use: Cannabis is mostly used to experience its acute rewarding effects. Regular use of high THC products can produce addiction (cannabis use disorder or CUD). Acute consumption of high THC doses (including unintentionally) can cause time-limited mental, gastrointestinal, and cardiovascular problems and motor vehicle accidents. Chronic patterns of cannabis use have been associated with multiple adverse outcomes that are of particular concern among adolescents and young adults, such as, disrupted learning, impaired cognitive performance, reduced educational attainment and an increased risk of CUD, psychosis/schizophrenia, mood and anxiety disorders and suicidal behaviors. There is debate about the extent to which cannabis use is a cause of these adverse outcomes. Physical health risks (e.g., respiratory and cardiovascular, prematurity and restricted fetal growth, hyperemesis syndrome among others) have also been linked with repeated consumption of cannabis with a high THC content. Findings on medical cannabis use: Herbal cannabis, medicines from extracted or synthetized cannabinoids—often used as adjuvants to standard medicines—may produce small to modest benefits. This is primarily the case in treating chronic pain, muscle spasticity, chemotherapy-induced nausea and vomiting, and refractory epilepsy (in the case of cannabidiol, CBD). The evidence is inconclusive on their value in treating mental disorders and other medical conditions. Safety: Cannabis-based medicine is generally well tolerated. There is a risk of mild to moderate adverse effects and CUD.
An assessment of the Henssge method for forensic death time estimation in the early post-mortem interval
Authors: Heinrich Fabian , Rimkus-Ebeling Felix , Dietz Eric , Raupach Tobias , Ondruschka Benjamin , Anders-Lohner Sven
Published: September 2024

Background

Time-since-death (TSD) diagnostics are crucial in forensic medical casework. The compound method by Henssge and Madea, which combines temperature and non-temperature-based techniques, is widely used to estimate TSD. This study aims to validate the predictive ability of this method in a cohort of 76 deceased individuals with known times of death (TOD).

Methods

A convenience sample of 76 deceased individuals was examined at the Institute of Legal Medicine, University Medical Center Hamburg-Eppendorf. The study included individuals who died at the hospital and those with sudden death in public. Exclusion criteria included age under 18, known infection or sepsis, polytrauma, bleeding, and hyperthermia. The TSD interval was calculated using the Deathtime software.

Results

The overall agreement between the actual TOD and the 95% prediction interval for the TSD was 36.8% (95% CI: 26.1 to 48.7). Warm-stored corpses showed a higher agreement (61.9% [95% CI: 38.4 to 81.9]) compared to cold-stored corpses (27.3% [95% CI: 16.1 to 41.0]). Factors such as body mass index (BMI) and body surface area (BSA) were found to influence the odds of agreement. Assuming a plausible range of ambient temperatures between death and admission improved the agreement in cold-stored cases.

Conclusion

The study found low to moderate agreement between the actual TOD and the 95% prediction interval using the Henssge method. Incorporating BMI and BSA could improve the predictive accuracy of TSD estimations. Further research with larger sample sizes and external validation is recommended to refine the model.