bluuebunny/crossref_metadata_2025 huggingface dataset:
Hydrostatic Pressure‐Tuning of Opto‐Electronic and Thermoelectric Properties Half‐Heusler Alloy RhTiP With DFT Analysis
Authors: Dixit Aparna , Saxena Arti , Abraham Jisha Annie , Dubey Shubha , Sharma Ramesh , Qaid Saif M. H. , Štich Ivan , Aslam Muhammad , Zetsepin Anatoly
Published: September 2024

Utilizing DFT along with Boltzmann transport theory, the structural, elastic, electrical, optical, and thermoelectric properties of half‐Heusler compound RhTiP have been calculated in principle to examine the pressure effect in the range of 0–40 GPa. As pressure increases, the volume and normalized lattice parameter decreased. In addition to satisfying the Born stability criterion, which ensured the compound RhTiP “natural stability,” the zero pressure elastic constants and the pressure‐dependent elastic constants are positive up to 40 GPa. The band structure computations guarantee the semiconductor nature of RhTiP, as demonstrated by the presence of electronic band gap of 1.035 eV at zero pressure. Using the Voigt‐Reuss‐Hill (VRH) averaging scheme under pressure, we have determined the values of this compound's bulk modulus , shear modulus , Young's modulus , Pugh ratio , Poisson's ratio , and anisotropy factor . Because the bulk modulus responds linearly to pressure, the material's hardness increases as pressure rises. Additionally, under pressures up to 40 GPa, the optical characteristics of RhTiP, including their reflectivity, absorptivity, conductivity, dielectric constant, refractive index, and loss function, were assessed and discussed. Furthermore, the thermoelectric properties are also studied for the materials and supports the tunning of pressure. This study provides a gateway to how the optoelectronic and transport properties of cubic RhTiP could be tuned by employing external pressure.
Equine metabolic investigation of the phosphodiesterase‐4 inhibitor ibudilast as a potential performance enhancer
Authors: Philip Moses , Kal Abdul Khader Karakka , Subhahar Michael Benedict , Karatt Tajudheen K. , Graiban Fatma Mohammed , Ajeebsanu Meleparappil Muhammed , Joseph Marina , Jose Shantymol V.
Published: September 2024

Rationale

Phosphodiesterase 4 (PDE4) inhibitors are a newer class of drugs that induce bronchodilation and have anti‐inflammatory effects, making them susceptible to misuse as performance enhancers in competitive sports.

Methods

This study explores the metabolic conversion of PDE4 inhibitor ibudilast in thoroughbred horses after oral administration and in vitro using equine liver microsomes and Cunninghamella elegans. A liquid chromatography‐high resolution mass spectrometry method was used to postulate the plausible structures of the detected metabolites.

Results

A total of 20 in vivo metabolites were identified under experimental conditions, including 12 Phase I and 8 Phase II conjugated metabolites. Phase I metabolites were predominantly formed through hydroxylation (mono‐, di‐, and tri‐hydroxylation). Demethylated metabolites were also identified during this investigation. Additionally, the research detected Phase II metabolites conjugated with glucuronic and sulfonic acids.

Conclusions

The data presented here can assist in detecting the PDE4 inhibitor ibudilast and uncover its illicit use in competitive sports.
A lie group PMP approach for optimal stabilization and tracking control of autonomous underwater vehicles
Authors: Anil B. , Gajbhiye Sneha , Mohan Santhakumar
Published: September 2024

In this research, we explore a finite horizon optimal stabilization and tracking control scheme for the dynamical model of a 6‐DOF Autonomous Underwater Vehicle (AUV). Dynamical equations of the AUV are represented in a Lie group () framework, encompassing both translational and rotational motions. Utilizing a left Lie group action on , we define error function for velocities via a right transport map to effectively address optimal trajectory tracking. The optimal control objective is formulated as a trade‐off problem, aiming to minimize both errors and control effort simultaneously. Left action on yields the left trivialized Hamiltonian function from which the concomitant state and costate dynamical equations are derived using Pontryagin's Minimum Principle (PMP). Consequently, the resulting two‐point boundary value problem is solved to obtain optimal trajectories. We demonstrate the optimality of the resulting solution obtained from the derived control law. For ensuring boundedness in the presence of small disturbances, this study incorporates the effects of internal parametric uncertainties associated with added mass and inertia components, along with the influence of external disturbances induced by ocean currents. Through simulation validations, we confirm the alignment of our results with the theoretical developments, demonstrating that the proposed control law effectively mitigates both parametric uncertainties and ocean current disturbances.
Floodplain Restoration and Its Effects on Summer Water Temperature and Macroinvertebrates in Whychus Creek, Oregon (USA)
Authors: Noone Wesley N. , Edwards Patrick M. , Pan Yangdong , Thorne Colin
Published: September 2024

Stream restoration is a proposed climate adaptation tool; however, outcomes of floodplain restoration on stream temperature have been debated. Despite a growing number of studies that investigated water temperature in restored streams, few have quantified temperature variations in new habitat types created by restored hydrogeomorphic processes to explore the effects on aquatic macroinvertebrates. We evaluated the hypotheses: (1) restoration increases habitat diversity, (2) habitat diversity increases water temperature variability, and (3) restoration increases the diversity of macroinvertebrate assemblage and temperature associations. In August 2021, we collected environmental data to describe the aquatic habitats, water temperature and quality (continuous and discrete), and macroinvertebrates in 40 riffle, pool, and off‐channel sites in a stream being restored, Whychus Creek, Oregon, USA. Our study is a site comparison of three reaches—one restored in 2012, another restored in 2016, and an unrestored (control) that will soon undergo restoration. Evaluations of the hypotheses show: (1) Habitat diversity in restored reaches is effectively three types of aquatic habitats versus only one in the control (riffles), (2) water temperature variability in habitats created by restoration (off‐channel) is high and low, and suggest a range of hyporheic connectivity and flow paths are present, and (3) restoration created a different macroinvertebrate assemblage, with 16 additional taxa in off‐channel habitats, and the range in macroinvertebrate thermal optima is approximately doubled when off‐channel macroinvertebrate thermal optima are accounted for. Our results support the idea that floodplain restoration creates more diverse thermal conditions and different macroinvertebrate communities in restored stream reaches.
Synthesis of Polycyclic Chromeno[4,3,2‐ij]Isoquinoline‐3‐Carbonitriles in the Presence of Ammonium acetate as a Dual Rule Reagent‐Catalyst
Authors: Alizadeh Abdolali , Rostampoor Azar
Published: September 2024

In this paper, a two‐step process is described for the chemoselective synthesis of highly fluorescent polycyclic chromeno[4,3,2‐ij]isoquinoline‐3‐carbonitriles using a sequential nucleophilic addition reaction involving 4‐chloro‐3‐vinyl coumarins, α,α‐dicyanoolefins and ammonium acetate as a source of nitrogen. In this process, it is believed that ammonium acetate is converted into ammonia and acetic acid during the reaction. Ammonia is the source of nitrogen, and the acid produced can catalyze the progress of the reaction. Single‐crystal X‐ray analysis was performed to confirm the structure of one of the typical products. In addition, the photophysical characteristics of the product 3 a were investigated through absorption and emission spectroscopy. This analysis reveals that the new heterocyclic system has impressive fluorescence characteristics. Several advantages of the presented synthetic strategy can be found in its simplicity, readily available starting materials, high‐efficiency products, highly chemoselective route, metal‐free catalyst, and ability to purify products by washing them with EtOH (96 %), a technique called GAP (Group‐Assisted‐Purification) chemistry.
Pronounced Anti‐Inflammatory and Analgesic Activities of a Spirofuran‐Triazolo[1,5‐a]pyrimidine Scaffold Available via Biginelli Multicomponent Condensation
Authors: Gümüş Mustafa Kemal , Doğan İnci Selin , Reis Rengin , Sipahi Hande , Uba Abdullahi Ibrahim , Gorobets Mykola Yu.
Published: September 2024

In this work, a series of phenyl‐derivatives of spirofuran‐triazolo[1,5‐a]pyrimidine (5 a–i) were evaluated for their anti‐inflammatory and analgesic activities, including SAR and molecular docking studies. The cytotoxicity of compounds was studied in RAW 264.7 murine macrophage cell line by MTT assay. Then, those with cell viability higher than 70 % were tested for their anti‐inflammatory activity at their non‐toxic doses by evaluating the nitrite level of the cell supernatants with the Griess reagent. Compounds 5 b, 5 d, 5 e, and 5 g demonstrated significant inhibition of nitrite production by 49 %, 59 %, 63 % respectively at 100 μM (p<0.05), whereas 56 % inhibition was seen with 50 μM of 5 g. According to the inhibition of PGE2, compound 5 b showed the most notable effect compared to control. All tested compounds, particularly 5 b, 5 d, 5 e and 5 f reduced the PGE2 level and showed potential analgesic activity. Seven heterocycles 5 a–g showed moderate to significant anti‐inflammatory and analgesic activities. Molecular docking predicts modest or no inhibition of 5 a–i with COX‐1. Instead, the modelling results also show that these molecules can effectively bind to the enzymes COX‐2 and mPGES‐2. However, the simulation distinguished the key role of the 2‐OH group in stabilizing the inhibitor‐target complex only in the case of binding to COX‐2.
Bio‐Extract Mediated Synthesis of Y/Fe2O3 Nanoparticles Using Adenanthera pavonina L. and Their Photocatalytic and Antibacterial Activities
Authors: Divya T. , Suvaitha S Prashanna , Kalicharan A. Alvin , Niveditha S. , Venkatachalam K.
Published: September 2024

The present study uses Adenanthera pavonina L. plant extract to synthesize Y/Fe2O3 nanoparticles in a sustainable and efficient manner. Several physicochemical investigations were performed on the synthesized Y/Fe2O3 to evaluate its structure and morphological characteristics. The high crystallinity of Fe2O3 and decreased crystal size of Y/Fe2O3 were revealed by the XRD study. The formulated Y/Fe2O3 was spherical in shape. Y/Fe2O3 has shown potential photocatalytic activity in the degradation of congo red and brilliant green dyes in the presence of visible light. Degradation efficiency is higher than 90% for both dyes. In addition, the antibacterial activity of Y/Fe2O3 was measured against pathogenic strains of Bacillus subtilis, Escherichia coli, Klebsiella pneumoniae, Micrococcus luteus, Proteus mirabilis, Pseudomonas putida, Shigella dysenteriae, and Staphylococcus aureus. Y/Fe2O3 showed promising antibacterial activity against all microorganisms. Micrococcus luteus showed a higher zone of inhibition (equal to 35 mm in diameter) than other microorganisms using Y/Fe2O3. Thus, it is established that the green synthesized Y/Fe2O3 nanoparticles are active catalysts for the photocatalytic degradation of hazardous dyes and have antibacterial properties against different bacterial stains.
Electrochemical and Digital Simulation Analyses of Two‐Proton‐Coupled Electron Transfer Between Superoxide and Hydroquinone: Mechanistic Insights and Kinetic Parameters
Authors: Nakayama Tatsushi
Published: September 2024

Electrochemical reduction of dioxygen (O2) in the presence of benzene‐1,4‐diol (hydroquinone) in N,N‐dimethylformamide (DMF) was examined using cyclic voltammetry and digital simulation techniques. The presence of hydroquinone modified the quasi‐reversible cyclic voltammograms (CV) of O2, resulting in formation of a superoxide radical anion (O2•−), which was scavenged by hydroquinone to form quinone radical anion and hydroperoxide. This reaction proceeded via a two‐proton‐coupled electron transfer (2PCET) mechanism with superior reaction kinetics. Digital simulations of the CVs elucidated the details of the 2PCET process, which involved heterogeneous electrochemical reactions and homogeneous solution reactions between the electrogenerated O2•− and hydroquinone. The thermodynamic and kinetic parameters of 2PCET were obtained from simulation analyses, which included three elementary steps: (i) formation of the prereactive complex from the free reactants, (ii) intracomplex 2PCET forming the product complex via a transition state, and (iii) dissociation of the product complex yielding free products. These parameters provide essential information for the development of artificial electron‐transfer catalysts and electron transfer carriers using hydroquinone derivatives.
Discovery of a Uracil‐Derived Small Organic Ligand with Cytotoxic Effect on Human PC‐3 Cell Lines via Apoptosis
Authors: Poslu Ayşe Halıç , Balaban Rümeysa , Nalbantsoy Ayşe , Ertik Onur , Çeçener Gülşah , Koz Ömer , Koz Gamze
Published: September 2024

A series of novel 6‐amino‐5‐salicylidene uracils (1–19) were efficiently synthesized from the condensation reaction of 5,6‐diamino‐1,3‐dimethyluracil with substituted salicylaldehydes. The structural characterization of the compounds was performed with spectroscopic methods and elemental analysis. All compounds were evaluated for their in vitro cytotoxic activity against PC‐3 (human prostate adenocarcinoma), A549 (human alveolar adenocarcinoma) and SHSY‐5Y (human neuroblastoma) cancer cell lines. 3,5‐di‐tert‐Butylsalicylaldehyde derived salicylideneuracil (6ASU‐8) showed promising cytotoxic activity against PC‐3 cells with an IC50 value of 1.53±1.01 μM, compared to doxorubicin, which had an IC50 value of 3.77±1.34 μM. 6ASU‐8 induced cell cycle arrest at the G2/M phase and promoted apoptosis in PC‐3 cells (p<0.05*). Molecular docking results supported the experimental data, indicating that 6ASU‐8 is more effective than doxorubicin. Additionally, in silico ADME analysis revealed that 6ASU‐8 possesses acceptable predictive physicochemical properties.
Deterministic Fabrication of Liquid Metal Nanopatterns for Nanophotonics Applications
Authors: Khan Md Abdul Kaium , Zhao Yaoli , Datta Shreyan , Paul Puspita , Vasini Shoaib , Thundat Thomas , Liu Peter Q.
Published: September 2024

Gallium‐based liquid metals (LMs) are widely used for stretchable and reconfigurable electronics thanks to their fluidic nature and excellent conductivity. These LMs possess attractive optical properties for photonics applications as well. However, due to the high surface tension of the LMs, it is challenging to form LM nanostructures with arbitrary shapes using conventional nanofabrication techniques. As a result, LM‐based nanophotonics has not been extensively explored. Here, a simple yet effective technique is demonstrated to deterministically fabricate LM nanopatterns with high yield over a large area. This technique demonstrates for the first time the capability to fabricate LM nanophotonic structures of various precisely defined shapes and sizes using two different LMs, that is, liquid gallium and liquid eutectic gallium–indium alloy. High‐density arrays of LM nanopatterns with critical feature sizes down to ≈100 nm and inter‐pattern spacings down to ≈100 nm are achieved, corresponding to the highest resolution of any LM fabrication technique developed to date. Additionally, the LM nanopatterns demonstrate excellent long‐term stability under ambient conditions. This work paves the way toward further development of a wide range of LM nanophotonics technologies and applications.
Doped‐Sn Enhanced the Performance of BiOCl Nanosheet on Electrocatalytic Synthesis of Hydrogen Peroxide
Authors: Zhang Shijie , Wang Yabing , Jiang Chenghang , Li Yuanan , Bao Zhikang , Zhong Haochong , Fang Wenjuan , Wang Jianguo
Published: September 2024

The hydrogen peroxide (H2O2) produced through electrochemical two‐electron oxygen reduction reaction (2e− ORR) is a promising green synthesis method and served as potential strategy to replace the energy‐intensive anthraquinone process. Nevertheless, the design of low‐cost and efficient electrocatalysts for 2e− ORR remains a formidable challenge. In this study, Sn‐BiOCl nanosheets electrocatalysts are prepared for expediting the 2e− ORR, achieving a high H2O2 selectivity of 92.9%, and the H2O2 yield of 10628 mg L−1 h−1 (0.1 mg cm−2) in a flow‐cell device. The in situ ATR‐SEIRAS results reveal that Sn‐BiOCl enhances the adsorption and activation of *OOH compared to BiOCl, resulting in higher activity and selectivity for 2e− ORR. Furthermore, this study investigates the potential for on‐site production and application of H2O2 using Sn‐BiOCl, which displays a 95% degradation removal of dyes (RhB, MB, and MO) within 20 min. This work not only have an insight into the critical roles of Bi and Sn atoms in enhancing the catalytic performance but also provides a thought to design efficient catalysts for production H2O2 via electrochemical 2e− ORR.
Organic Nano‐Junctions: Linking Nanomorphology and Charge Transport in Organic Semiconductor Nanoparticles for Organic Photovoltaic Devices
Authors: Laval Hugo , Tian Yue , Lafranconi Virginia , Barr Matthew , Dastoor Paul , Marcus Matthew M. , Wantz Guillaume , Holmes Natalie P. , Hirakawa Kazuhiko , Chambon Sylvain
Published: September 2024

In this study, innovative nanoscale devices are developed to investigate the charge transport in organic semiconductor nanoparticles. Using different steps of lithography techniques and dielectrophoresis, planar organic nano‐junctions are fabricated from which hole mobilities are extracted in a space charge‐limited current regime. Subsequently, these devices are used to investigate the impact of the composition and morphology of organic semiconductor nanoparticles on the charge mobilities. Pure donor nanoparticles and composite donor:acceptor nanoparticles with different donor compositions in their shell are inserted in the nanogap electrode to form the nano‐junctions. The results highlight that the hole mobilities in the composite nanoparticles decrease by two‐fold compared to pure donor nanoparticles. However, no significant change between the two kinds of composite nanoparticle morphologies is observed, indicating that conduction pathways for the holes are as efficient for donor proportion in the shell from 40% to 60%. Organic photovoltaic (OPV) devices are fabricated from water‐based colloidal inks containing the two composite nanoparticles (P3HT:eh‐IDTBR and P3HT:o‐IDTBR) and no significant change in the performances is observed in accordance with the mobility results. Through this study, the performance of OPV devices have been succesfully correlated to the transport properties of nanoparticles having different morphology via innovative nanoscale devices.
Hydrogen Boride Sheets and Copper Nanoparticle Composites as a Visible‐Light‐Sensitive Hydrogen Release System
Authors: Mauliana Andi , Yamaguchi Akira , Kondo Takahiro , Miyauchi Masahiro
Published: September 2024

Hydrogen boride (HB) sheet is a new class of 2D materials comprising hydrogen and boron, synthesized through ion‐exchange and exfoliation techniques. HB sheets can release hydrogen (H2) under light irradiation and is predicted to be a promising H2 storage material. However, its application is limited to the UV region. One approach to enable a visible‐light‐driven system is the utilization of plasmonic metallic nanoparticles. The present study reports H2 release from copper (Cu) nanoparticle‐modified HB sheet (HB/Cu) under visible‐light irradiation. Copper nanoparticles possess unique and strong plasmonic responses in the visible‐light range, making them ideal light absorbers in this system. HB/Cu nanocomposites are synthesized using a simple mixture of copper acetate and HB sheets in acetonitrile, where HB sheets reduced copper ions to metal copper nanoparticles. The photoirradiation results shows that HB/Cu nanocomposites released more H2 than the bare HB sheets under visible‐light irradiation. This is probably due to the plasmonic photothermal effect of copper metal, which enhances H2 generation from the HB sheets. This material offers a viable and cost‐effective approach for developing visible‐light‐sensitive systems.
Highly Mesoporous Zr‐Based MOF‐Fabric Composites: A Benign Approach for Expeditious Degradation of Chemical Warfare Agents and Simulants
Authors: Abdelmigeed Mai O. , Mahle John J. , Peterson Gregory W. , Parsons Gregory N.
Published: September 2024

Recent research has demonstrated the degradation of organophosphonates through hydrolysis using microporous UiO–66–NH2‐fabric composites. Yet, challenges remain due to the limitations of organophosphonates accessing active sites in large, engineered granules. To address this, an innovative approach to integrate mesoporous UiO–66–NH2 onto various fabrics is provided, thereby overcoming previous mass transfer limitations. Mesoporosity in the UiO–66–NH2‐fabric is attributed to the amphoteric cocamidopropylbetaine (CAPB) surfactant which templates the mesochannel construction. Unexpectedly, because the synthesis is aqueous, benign, low temperature (60°C), and avoids strong acids and toxic solvents, it is compatible with fragile supports such as untreated cotton. The UiO–66–NH2‐fabric composite formed using treated polypropylene (PP) attains a BET specific surface area of 360 m2 g−1comp. Remarkably, the mesoporous UiO–66–NH2‐composites exhibit a pore volume as large as 0.2 cm3 g−1comp, 33% in the mesoporous range, which is higher than other previous reports. Practically, the mesoporous UiO–66–NH2‐treated PP composite enhances the rate of methyl paraoxon (DMNP) degradation, showing a t1/2 value that is 15 times faster than microporous UiO–66–NH2 composites measured under the same conditions. Similar trends are observed in the degradation of actual nerve agents. These composites hold significant potential across diverse applications, including filtration, protection, and catalysis.
Manganese Doped‐Nitrogenated Carbon as an Efficient Catalyst for Acidic Electrocatalytic Reduction of CO2
Authors: Pan Hui , Cheng Yingying , Kang Peng
Published: September 2024

Renewable electricity‐driven CO2 electroreduction to value‐added chemicals is a feasible approach to alleviate both environmental and energy issues. However, CO2 reduction reaction (CO2RR) systems in alkaline electrolytes are constrained by intrinsic limitations such as salt accumulation that impede further industrialization. Herein, an atomically dispersed Mn doped‐nitrogen carbon (AD MnNC) catalyst is developed to electrochemically reduce CO2 to CO in both neutral and acidic media. Benefiting from well‐dispersed MnNx sites, the maximum CO Faradaic efficiency (FECO) reaches ≈100% at −0.73 V versus reversible hydrogen electrode (RHE) with CO current density (JCO) of 20.4 mA cm−2 in neutral 0.5 m KHCO3. Due to diminished *H adsorption, AD MnNC achieves a FECO of 85.3% at pH 2.0, effectively suppressing the hydrogen evolution reaction (HER) in an acidic electrolyte. The mechanistic study reveals that AD MnNC accelerates the production of *COOH intermediates through a proton‐coupled electron transfer (PCET) pathway and thus promotes CO formation.
In Situ Characterization of Interface Evolution in Argyrodite‐Based All‐Solid‐State Li Batteries
Authors: Huang Di , Liu Gao , Tong Wei
Published: September 2024

Interfacial stability is one of the critical challenges in all‐solid‐state Li metal batteries. Multiple processes such as solid electrolyte (SE) decomposition and lithium dendrite growth take place at the solid interfaces during cycling, leading to the overall cell failure. To deconvolute these complex processes, in situ characterization is of paramount importance to elucidate the interfacial evolution on the SE upon Li plating/stripping. Herein, an all‐solid‐state asymmetric in situ cell is developed that allows the direct visualization of the highly localized Li plating/stripping processes under the optical microscope. Moreover, this cell configuration enables reliable post‐mortem chemical and morphological analysis of the intact SE/Li interface. Using combined scanning electron microscopy and energy‐dispersive X‐ray spectroscopy, the study reveals that the evolution of the Li argyrodite interface is strongly influenced by the current density, particularly in terms of chemical distribution and Li plating morphology. More specifically, the solid interface is LiCl‐rich with the formation of Li cubes at low current densities, while high currents result in more uniform elemental distribution and filament morphology. These findings elucidate the dynamic evolution mechanism at solid interfaces and offer valuable guidance for developing stable solid interfaces in all‐solid‐state Li metal batteries.
Unraveling the Potential Dependence of Active Structures and Reaction Mechanism of Ni‐based MOFs Electrocatalysts for Alkaline OER
Authors: Xu Wenxuan , Tao Yi , Zhang Hao , Zhu Jiarui , Shao Wenji , Sun Joey Song , Xia Yujian , Ha Yang , Yang Hao , Cheng Tao , Sun Xuhui
Published: September 2024

Nickel‐based metal‐organic frameworks (MOFs) with flexible structure units provide a broad platform for designing highly efficient electrocatalysts, especially for alkaline oxygen evolution reaction (OER). However, the stability of MOFs under harsh and dynamic reaction conditions poses significant challenges, resulting in ambiguous structure‐activity relationships in MOFs‐based OER research. Herein, Ni‐benzenedicarboxylic acid‐based MOF (NiBDC) is selected as prototypical catalyst to elucidate  its real active sites for OER and reaction pathway under different reaction states. Electrochemical measurements combined with X‐ray absorption spectroscopy (XAS) and Raman spectroscopy reveal that the complete reconstruction of NiBDC to β‐NiOOH in the chronoamperometry activation process is responsible for significantly increased OER performance. In situ XAS and Raman results further demonstrate the electro‐oxidation of β‐NiOOH into γ‐NiOOH at high‐potential state (above 1.6 V vs RHE). Furthermore, the collective evidences from key reaction intermediates and isotope‐labeled products definitely unravel the potential dependence of OER mechanism: OER process at low‐potential state proceeds mainly through the lattice oxygen‐mediated mechanism, while adsorbate evolution mechanism emerges as the predominant pathway at high‐potential state. Interestingly, the dynamically changing OER mechanism can not only reduce the required overpotential at the low‐potential state but also improve the electrochemical stability of catalysts at high‐potential state.
A Paper‐Based Wearable Moist–Electric Generator for Sustained High‐Efficiency Power Output and Enhanced Moisture Capture
Authors: Gao Yang , Elhadad Anwar , Choi Seokheun
Published: September 2024

Disposable wearable electronics are valuable for diagnostic and healthcare purposes, reducing maintenance needs and enabling broad accessibility. However, integrating a reliable power supply is crucial for their advancement, but conventional power sources present significant challenges. To address that issue, a novel paper‐based moist–electric generator is developed that harnesses ambient moisture for power generation. The device features gradients for functional groups and moisture adsorption and architecture of nanostructures within a disposable paper substrate. The nanoporous, gradient‐formed spore‐based biofilm and asymmetric electrode deposition enable sustained high‐efficiency power output. A Janus hydrophobic–hydrophilic paper layer enhances moisture harvesting, ensuring effective operation even in low‐humidity environments. This research reveals that the water adsorption gradient is crucial for performance under high humidity, whereas the functional group gradient is dominant under low humidity. The device delivers consistent performance across diverse conditions and flexibly conforms to various surfaces, making it ideal for wearable applications. Its eco‐friendly, cost‐effective, and disposable nature makes it a viable solution for widespread use with minimal environmental effects. This innovative approach overcomes the limitations of traditional power sources for wearable electronics, offering a sustainable solution for future disposable wearables. It significantly enhances personalized medicine through improved health monitoring and diagnostics.
In Situ Observation of Precipitation Behavior of MnS during Solidification of Steel Melt Intended for Production of Nonquenched and Tempered Steel
Authors: Tian Jun , Cheng Jia‐hao , Hu Shao‐yan , Hou Dong , Su Li‐juan , Wang Jing‐ling , Qu Tian‐Peng , Li Xiang‐Long , Wang De‐yong
Published: September 2024

Two heats of steel are melted using a vacuum induction furnace in the laboratory, with one heat undergoing magnesium treatment and the other being subjected to a combined magnesium–calcium treatment. The precipitation and agglomeration behaviors of inclusions of these two steel samples are observed using a high‐temperature confocal laser scanning microscopy. MnS precipitates form around oxide cores and undergo rapid growth during the solidification process of molten steel, and these MnS precipitates with oxide cores react with the cores, resulting in the transformation of the MnS into complex sulfides. In comparison with Al2O3 inclusions, MgO·Al2O3 inclusions have a lower critical velocity (V
c), making them more susceptible to being engulfed by the solid–liquid interface. As the size of colliding inclusions increases, the coalescence–collision frequency (E
0) initially decreases until it reaches a minimum value. After that, with further size increments, the frequency starts to increase. During the inclusions growth process through collision, there is a distinct zone where coalescence–collision frequency is low. Inclusions that reach this zone struggle to grow further due to reduced collision coalescence, consequently leading to a predominance of inclusions with diameters in this zone.
Hybrid Model Integrating Locally Linear Embedding and LightGBM for Predicting Sulfur Content in Electroslag Remelting
Authors: Liu Yuxiao , Dong Yanwu , Jiang Zhouhua , Chen Xi
Published: September 2024

This study proposes a model for predicting the sulfur content in the electroslag remelting (ESR) process, by integrating locally linear embedding (LLE) and the LightGBM algorithm. The LLE dimensionality reduction method is employed to preprocess the factors influencing the sulfur content, preserving the local relationships between samples while reducing the data dimensionality. Subsequently, five models are established, including LLE‐LightGBM, LLE‐RR, LLE‐RF, LLE‐XGBoost, and LLE‐CatBoost. Bayesian optimization is used to tune the hyperparameters of these models, which are then trained and validated using production data. The results demonstrate that the integration of LLE and Bayesian optimization improved the performance of all five models. The incorporation of LLE enhanced the models’ understanding and predictive capabilities of the data, thereby improving their performance and robustness. Among the five models, the LLE‐LightGBM model exhibits the best performance, with the following metrics: MSE = 0,  = 0.9894, MAE = 0, MEDAE = 0, EVS = 0.9895, and ME = 1.8 × 10−5. Therefore, the LLE‐LightGBM model can accurately predict the sulfur content in the ESR process, providing valuable guidance for end‐point control and decision‐making, and offering a new approach toward the intelligent automation of the ESR process.
Interfacial solar‐driven steam and electricity co‐generation using Hydrangea‐like graphene by salt‐assisted carbonization of waste polylactic acid
Authors: Wang Huiyue , Wen Xueying , Liu Kuankuan , Liu Qiuxuan , Hu Guixin , Liu Huajian , She Yan , Niu Ran , Tang Tao , Gong Jiang
Published: September 2024

The interfacial solar steam generation and water evaporation–driven power generation are regarded as promising strategies to address energy crisis. However, it remains challenging to construct low‐cost evaporators for freshwater and electricity co‐generation. Herein, we report a salt‐assisted carbonization strategy of waste polylactic acid to prepare Hydrangea flower–like graphene and build a bi‐functional graphene‐based evaporator. The evaporator presents merits of good sunlight absorption, photo‐to‐thermal conversion property, water transport, good thermal management capability, and negatively charged pores for the continuous diffusion of ions. Hence, it achieves the evaporation rate of 3.0 kg m−2 h−1 and output voltage of 0.425 V, surpassing many advanced evaporators/generators. Molecular dynamics simulation result proves that more Na+ ions are attracted by functional groups, especially –COOH/C–OH, to promote Na+ selectivity in nanochannels. This work offers new opportunities to construct multifunctional evaporators for freshwater and electricity co‐generation.
Generative AI in International Business Research: A Guide to Ethical and Responsible Application
Authors: Benmamoun Mamoun
Published: September 2024

As generative artificial intelligence (GenAI) becomes more prevalent in academic circles, this article probes its ethical and practical integration in international business (IB) research. It explores the different phases of the research process where GenAI can be effectively employed, including idea generation, data analysis, and writing and communication. Notably, the article emphasizes the critical importance of upholding responsible and ethical standards when incorporating GenAI into IB research, guaranteeing that its utilization not only contributes to knowledge advancement but also conforms to the highest research integrity benchmarks.
Beyond Conventional Leadership: On Homo academicus (dux) and Ontological Assumptions in Academia
Authors: Jacobsson Mattias , Söderholm Anders
Published: September 2024

With the premise that ontological assumptions about Homo academicus and Homo academicus dux (the academic leader) must include knowledge and analysis of the organisational context where they act, this chapter sets out to challenge some common (and we argue incorrect) assumptions in contemporary management literature regarding how power is distributed, the role of dependencies among units and practices, and how a sense of belonging is formed. Three (alternative) conditions are introduced—reversed hierarchy, lateral independence, and community-based belonging—upon which academic practice and leadership implications are discussed. The alternative conditions thus explain why and how Homo academicus and Homo academicus dux acts the way (s)he acts, which consequently makes out the contours of a new academic rationality.
When Management and Organization Came to the Village of Jante
Authors: Ericsson Daniel , Nilsson Pernilla
Published: September 2024

For many, the question who do we think we are? connotes a very specific moral, the Law of Jante: You are not to think that you are anything special. As formulated by the Danish-Norwegian author Aksel Sandemose in A Fugitive Crosses His Tracks (1933/2010), this law was once a satirical description of the social norms that Sandemose meant governed the behaviours and attitudes of working-class Norwegians and Danes into conformity and hostility towards individual success in the fictional village of Jante. Over the years, however, it has come to depict the egalitarian Scandinavian cultures as well as to acquire a kind of proverbial resonance both within and outside these cultures. In this chapter, it is argued that life in academia historically has represented quite the opposite of the Law of Jante, but that it is increasingly imbued by the moral of Sandemose’s satire. This development is fuelled by an assemblage of different ideas and phenomena such as the postmodern demise of science as a grand narrative, the expansion of higher education, the neoliberal university, and the Bologna reform. Each and every one of these changes, we argue, in different ways and to different extents, forms a fertile soil for the Law of Jante, and together contribute to the vulgarization of the academic scholar’s (dis)position. We then trace how the Law of Jante has been enacted by business schools, struggling to strike a balance between business and academia or, as (Engwall, Mercury meets Minerva: Business studies and higher education: The Swedish case. Economic Research Institute, Stockholm School of Economics, 2009) has put it with reference to Roman mythology, between Mercury and Minerva. Finally, we problematize the Law’s (de)moralizing consequences for scholars in the fields of management and organization.
Introduction
Authors: Gabriel Norman
Published: September 2024

This book is an international investigation of the different processes of learning and education in contemporary societies, drawing on theoretical and applied studies that examine the national habitus of Brazil, France, Germany, Denmark and England. It has two main goals: firstly, to discuss Norbert Elias´s processual contribution to contemporary childhood and educational practices that affect the lives of young and older children and secondly, to raise questions on how debates about learning processes can enrich our understanding of Elias´s contribution to process sociology.

In the book, each of the authors applies Elias’s relational perspective to understand and explain learning processes in childhood and education, focusing on some of the long-term individual civilising processes that younger and older children undergo as they prepare for adulthood in complex societies. We explore in different chapters how these processes of learning relate to emerging and dynamic forms of figurations that children form with parents, teachers and friends. Each of these figurations is multi-layered and embedded within a range of institutions, referring to a large number of related aspects such as early childhood education and upbringing, the ‘socialisation’ of ‘norms’ and values’, formal schooling, play, youth and the transmission of knowledge from one generation to another.
Banal Nationalism for Babies: The Early Transmission of National Habitus to Children in the Family
Authors: Delmotte Florence , Duchesne Sophie
Published: September 2024

This chapter offers an insight on the persistence of nationalism in contemporary France and elsewhere. It does so by addressing specifically the part families play in the early transmission of national habitus. The approach bridges the theoretical perspectives of Michael Billig and Norbert Elias, as it deepens Billig’s theorisation of banal nationalism through Eliasian historical sociology. The authors therefore use Elias’s political sociology in order to critically analyse the formation of national imaginaries as well as his writings that focus on processes of individualisation, socialisation and family relationships. This will constitute the theoretical base for understanding the ‘drag effect’ of the national habitus. Empirically, the chapter will share the results of a preliminary investigation in the region of New Aquitaine, France, on the transmission of national belonging among families using projective methods and repeated interviews with parents and their six-year-old child.
Down Mom! The Development of Unacknowledged Shame, Child Centering, and Gender Relations in Germany
Authors: Waterstradt Désirée
Published: September 2024

Child-centered education is supposed to help children become independent, responsible, and confident. From a sociological point of view child centering is a key concept that refers to the multi-layered power dynamics within a long-term sociohistorical process. Based on process sociology, this chapter will explore how since the Enlightenment, national interest in the child has grown and child-centered institutions, professions, and family structures have emerged. This chapter examines the tabooing of shame in the process of child-centeredness, using Germany as an example. The changing figurations since the Enlightenment show the interdependence of child centering and gender relations. In this process, child centering has often followed the regressive fantasies of adults, who looking back, elevate childhood as an ideal state and paradise to which they long to return. The result is an unrealistic exaggeration of the image of the mother which leads to a split between the ideal and enemy image. Since mothers can only fail individually and collectively in the face of the ideal image, mothers become the scapegoats of modernity. Hostility towards mothers or momism and sexism aimed at mothers and caring fathers develops as a fundamental but tabooed form of social discrimination.
Leave No One Behind: Engaging Communities in the Just Transition Process Towards Climate Neutrality
Authors: García-Mira Ricardo , Garha Nachatter Singh , Michas Serafeim , Mey Franziska , Basu Samyajit , Süsser Diana
Published: September 2024

Policy Highlights

To achieve the recommendation stated in the title, we propose the following:

Equip key actors with the transformative capacities to support the development and implementation of regional visions, plans, and narratives.

Develop structures and participatory mechanisms that encourage a wide social dialogue and citizen involvement in just transition projects.

Use insights from science and practice from participatory processes, as well as methods and tools developed in different contexts, to enable just transitions.

Involve local stakeholders in the intersectional analysis of compensatory measures for holistically mitigating negative impacts of policies or interventions.

Make use of the full spectrum of SSH and STEM tools to support local transition processes.
No νs is Good News
Authors: Craig Nathaniel , Green Daniel , Meyers Joel , Rajendran Surjeet
Published: September 2024

Abstract

The baryon acoustic oscillation (BAO) analysis from the first year of data from the Dark Energy Spectroscopic Instrument (DESI), when combined with data from the cosmic microwave background (CMB), has placed an upper-limit on the sum of neutrino masses, ∑mν< 70 meV (95%). In addition to excluding the minimum sum associated with the inverted hierarchy, the posterior is peaked at ∑mν = 0 and is close to excluding even the minumum sum, 58 meV at 2σ. In this paper, we explore the implications of this data for cosmology and particle physics. The sum of neutrino mass is determined in cosmology from the suppression of clustering in the late universe. Allowing the clustering to be enhanced, we extended the DESI analysis to ∑mν< 0 and find ∑mν =160±90 meV (68%), and that the suppression of power from the minimum sum of neutrino masses is excluded at 99% confidence. We show this preference for negative masses makes it challenging to explain the result by a shift of cosmic parameters, such as the optical depth or matter density. We then show how a result of ∑mν = 0 could arise from new physics in the neutrino sector, including decay, cooling, and/or time-dependent masses. These models are consistent with current observations but imply new physics that is accessible in a wide range of experiments. In addition, we discuss how an apparent signal with ∑mν< 0 can arise from new long range forces in the dark sector or from a primordial trispectrum that resembles the signal of CMB lensing.
Identification of genes shared between sedentary behaviour and inflammation: a bivariate genetic correlation analysis
Authors: Zammarchi Gianpaolo , Pisanu Claudia
Published: September 2024

Sedentary behaviour is associated with increased risk of several chronic conditions and all-cause mortality. Leisure screen time (LST) represents a substantial component of sedentary behaviour and is linked with higher levels of inflammation and increased body mass index (BMI), which in turn predispose to different disorders and negative health outcomes, both in the general population as well as in people with high levels of physical activity. Sedentary behaviour and inflammation are complex traits characterized by the interaction between genetic and environmental factors. While some of the genetic factors underlying LST have been suggested to be shared with body composition, to our knowledge the pleiotropy between LST and inflammation has not been investigated. In this study, we used global and local genetic correlation to identify genetic determinants shared between LST and two inflammatory markers, C-reactive protein (CRP) and interleukin 6 (IL6), using large genomic datasets. We compare results obtained with the definition of genomic loci based on the genome partitioning algorithm proposed in LAVA and a modified version in which loci are defined based on gene coordinates. We found a significant global genetic correlation between LST and CRP ($$r_g$$

r
g

= 0.37, p= 1.6E-34) or IL6 ($$r_g$$

r
g

= 0.41, p = 1.1E-08) and identified several genes shared between LST and inflammatory markers, dissecting loci for which the association was mediated by, or independent from, BMI. Our results provide novel knowledge on shared genetic determinants between sedentary behaviour and inflammation and suggest that different definitions of genomic loci can allow to obtain complementary information when using local genetic correlation analysis.
Kompetenzzentrum Kinderschutz im Gesundheitswesen Nordrhein-Westfalen
Authors: Banaschak S. , Ahrens S. , Hoischen A. , Wager J. , Brüning T.
Published: September 2024

Hintergrund

Die Professionalisierung im Umgang mit Verdachtsfällen von Kindesmisshandlung im Gesundheitswesen hat einen wachsenden Bedarf an Beratung und Fortbildung ausgelöst. Insbesondere die Einordnung von Verletzungen erfordert oft rechtsmedizinische Expertise, die in Flächenländern wie Nordrhein-Westfalen (NRW) ohne zusätzliche (Stellen)Finanzierung schwer zu decken ist.

Ziel

Im April 2019 wurde mit dem „Kompetenzzentrum Kinderschutz im Gesundheitswesen NRW“ (KKG NRW) ein Angebot, das rechtsmedizinische Beratung (am Hauptstandort, dem Institut für Rechtsmedizin Köln) und pädiatrische Expertise (an der Vestischen Kinder- und Jugendklinik Datteln) kombiniert, erschaffen. Gefördert wird das KKG NRW durch das Ministerium für Arbeit, Gesundheit und Soziales des Landes Nordrhein-Westfalen (MAGS). Ziel dieser Auswertung ist die Darstellung des Beratungsbedarfs und der Möglichkeiten, die ein landesgefördertes Projekt bieten kann.

Methode

Deskriptive Auswertung der unterschiedlichen Tätigkeiten des KKG NRW in der ersten Förderperiode und anteilig in der zweiten.

Ergebnisse

Neben telefonischer Beratung (432 Fälle) und E‑Mail-Kontakt (277 Fälle) ist mit dem Online-Konsil-System (1228 Fälle) eine datenschutzkonforme Beratung, inkl. Übermittlung von Bildmaterialien, möglich. Die Nutzung des Konsilsystems, hat sich etabliert, wobei körperliche Misshandlungsfälle hier am häufigsten beraten werden. Weiter unterstützt das KKG NRW durch Fachfortbildungen und Arbeitsmaterialien zu verschiedenen Themen. Durch die Einbeziehung des Öffentlichen Gesundheitsdienstes und der Kinderradiologie wurde das Angebot weiterausgebaut.

Diskussion

Die finanzielle Sicherstellung eines so umfassenden Beratungs- und Fortbildungsangebotes, wie dem des KKG NRW, bleibt eine Herausforderung. Langfristige Finanzierungen vonseiten öffentlicher Institutionen sind entscheidend, um Projekte wie diese zu stärken und qualifiziertes Personal in diesen Projekten zu halten, um somit einen nachhaltigen Beitrag zum Kinderschutz zu leisten.