bluuebunny/crossref_metadata_2025 huggingface dataset:
Causal dependencies and Shannon entropy budget: Analysis of a reduced‐order atmospheric model
Authors: Vannitsem Stéphane , Pires Carlos A. , Docquier David
Published: July 2024

The information entropy budget and the rate of information transfer between variables is studied in the context of a nonlinear reduced‐order atmospheric model. The key ingredients of the dynamics are present in this model; namely, the baroclinic instability, the instability related to the presence of an orography, the dissipation related to the surface friction, and the large‐scale meridional imbalance of energy. For the parameters chosen, the solutions of this system display a chaotic dynamics reminiscent of the large‐scale atmospheric dynamics in the extratropics. The detailed information entropy budget analysis of this system reveals that the linear rotation terms play a minor role in the generation of uncertainties compared with the orography and the surface friction. Additionally, the dominant contribution comes from the nonlinear advection terms, and their decomposition in synergetic (covariability) and single (impact of each single variable on the target one) components reveals that for some variables the covariability dominates the information transfer. The estimation of the rate of information transfer based on time series is also discussed, and an extension of the Liang's approach to nonlinear observables is proposed.
Multimode high‐dimensional time series clustering and monitoring for wind turbine SCADA data
Authors: Yang Luo , Wang Kaibo , Zhou Jie
Published: July 2024

The operating process of complex systems usually manifest in multiple distinct operating modes. In the case of a wind turbine, for example, its operating mode is highly influenced by the wind condition, which changes dynamically in natural environment. The SCADA system plays a crucial role in collecting various parameters from wind turbines, facilitating the differentiation, and modeling of distinct operating modes. However, the challenge lies in the excessive dimensionality of variables in SCADA data, making modeling efforts both intricate and inefficient. In this study, we leverage the engineering knowledge on the hierarchical structure of the variables in wind turbine, and propose a novel method to efficiently cluster the data temporally by operating modes. Our methodology involves initially clustering variables according to subsystems and implementing temporal clustering within each subsystem. Subsequently, we introduce a novel graph neural network to extract and concatenate features from all subsystems, enabling the discrimination of the operational mode of the entire system. Finally, we model these features to make predictions of the output power, and the prediction residual can be used for monitoring. Performance evaluations on both numerical experiments and real‐world wind turbine datasets attest to the effectiveness and superiority of the proposed methods.
Two‐dimensional ammonia‐linked COF structures with different substituents for the adsorption and separation of sulfur hexafluoride: A theoretical study
Authors: Shen Kun , Ning Junjie , Zhao Rui , Gao Kunqi , Yin Xiangyu , Hou Linxi
Published: July 2024

As one of the most potent greenhouse gases, SF6 has a significant economic and environmental impact on the purification and recovery of exhaust gases from the semiconductor industry. The adsorption and separation performance of SF6 on a two‐dimensional covalent organic framework TAT‐COFs‐1‐AB with different functional groups (SO3H, Et, NH2, OMe, OH, H) was investigated by using grand canonical Monte Carlo (GCMC) simulations and density functional theory (DFT) calculations. The results show that the adsorption at low pressure depends on the interactions between the SF6 and COF frameworks, while at high pressure it is mainly affected by the porosity. The highest adsorption capacity of 8.44 mmol/g (298 K, 100 kPa) is exhibited by TAT‐COF‐1‐AB‐H, which has the highest porosity. Chemical functionalization was found to be effective in enhancing the SF6/N2 selectivity. Among all the functionalized COFs, TAT‐COF‐1‐AB‐NH2, with the highest specific surface area and strong heat of adsorption, showed the highest selectivity. The simulation of self‐diffusion also shows consistent results with the GCMC simulation. The findings highlight that the adsorption capacity is influenced by substituent and porosity, with SF6 showing a consistent preference for adsorption at hollow sites, as evidenced by binding energy and charge transfer analyses.
Leveraging on supply chain‐oriented technology engine for green initiatives adoption
Authors: Cerchione Roberto
Published: July 2024

Leveraging on the natural‐resource‐based view (NRBV) theory, this paper provides an overview on the diffusion of green initiatives among LSPs analysing the degree of diffusion of intra‐ and inter‐organisational green practices and technological systems adopted by LSPs operating in three European countries. A structured literature review on the topic was conducted to define a structural schema to analyse the intra‐ and inter‐organisational green practices and technological systems adopted by LSPs. Then, a cross‐country analysis was conducted in a sample of about 1000 LSPs operating in Germany, Italy and UK to highlight their degree of diffusion, as well as the homogeneity and differences among LSPs belonging to different European countries. The process of diffusion of green initiatives follows an evolutionary process characterised by misalignment problems. Despite the results of the cross‐country analysis highlight homogeneities and differences between the three countries, LSPs operating in the three countries adopt inter‐organisational technological systems that could be exploited to increase inter‐organisational green practices and overcome misalignment problems coherently with the NRBV. This means that LSPs operating in the three countries have a supply chain‐oriented technology engine that could be better exploited to support supply chain green practices and overcome the misalignment.
N‐doped Porous ZIF@PDA/Pt Catalysts with Ultra‐Low Pt for Methanol Oxidation
Authors: Chen Yuting , Niu Fu , Sun Wei , Liu Chunyu , Zhang Yinuo , Xu Chuanyan , Ren Guohong , Liu Zhongsu , Liu Xiaohong
Published: July 2024

Metal‐organic frameworks (MOFs) materials, due to their unique porous structure, large surface area, low density, and customizable ligands, have the potential to serve as catalytic carriers. They can address the limitations of pure platinum (Pt), including susceptibility to toxicity and poor stability during catalytic processes. In this study, ZIF‐8@ZIF‐67 derived N‐doped carbon‐loaded ultra‐low Pt catalysts (ZIF@PDA/Pt‐x‐y) were prepared using zeolitic imidazolate frameworks (ZIFs) as carriers. Meanwhile, the effects of dopamine hydrochloride (DA) incorporation and reaction temperature on the topography structure and electrocatalytic properties of the synthesized samples were mainly investigated. The introduction of polydopamine (PDA) relieved the loss of the nitrogen source of ZIF due to high temperature. The electrocatalytic performances of synthetic samples for methanol oxidation were investigated using electrochemical methods, and ZIF@PDA/Pt‐5‐900 exhibited the most favorable catalytic effect. Compared to other samples and the Pt/C catalyst (20 %), ZIF@PDA/Pt‐5‐900 demonstrated the largest electrochemically active surface area (ECSA, 66.25 m2 mgPt−1), higher electrocatalytic amount activity (1719.28 mA mgPt−1) and superior stability. Overall, this finding offers a new approach for preparing catalysts for direct methan ol fuel cells (DMFCs).
Discovery of New Heteroaryldihydropyrimidine Compounds as HBV Capsid Protein Inhibitors Based on QSAR, Molecular Docking and Molecular Dynamics Simulations**
Authors: Tong Jian‐Bo , Xing Xiao‐Yu , Zhang Ya‐Kun , Gao Peng , Liu Yuan , Zhang Xing , Chang Ze‐Lei , Yan Jing , Yang Yu‐Lu , Wang Chun‐Ying , Ding Jing‐Yan
Published: July 2024

Hepatitis B virus (HBV) infection is a major global public health problem and a serious threat to human health. The assembly of the HBV outer shell protein is an important step in the HBV life cycle. Influencing the assembly of core proteins to block viral DNA replication has become a popular target for anti‐HBV drug development. In this study, 47 heteroarylpyrimidine (HAP) compounds were investigated by QSAR, and Topomer CoMFA and HQSAR models with strong predictive ability were developed. Eight new compounds with high activity were successfully designed by searching R groups in Topomer Search. The results of molecular docking and ADMET performance prediction showed that all these compounds have good docking scores and potential medicinal values. To further understand the possible conformations and interactions of the compounds at the protein active site, we performed molecular dynamics simulations of the four compounds with high docking scores and confirmed that these complexes have stable binding conformations by free energy mapping. The free energy calculations verified the stable binding results. These results provide an important reference and theoretical basis for the design and development of effective heteroaryldihydropyrimidine analogs as potential HBV capsid inhibitors.
Efficient Elimination of Co (II) Ions from Watery Solutions Utilizing Eco‐Friendly, Inexpensive, Natural, and Modified Potato Peels
Authors: Altunkaynak Yalçın , Canpolat Mutlu
Published: July 2024

This study is concerned with the physicochemical investigation of cobalt (II) sorptions from aqueous solution by potato peel (PP) and NaOH/CaCl2/C2H5OH‐modified potato peel (MPP). The sorption conditions of PP and MPP under optimized conditions were optimized according to the maximum effects of the main factors affecting the sorption processes (PP and MPP dosage, sorbate concentration, interaction time, and temperature) at pH 6.78. The kinetic and equilibrium experimental sorption data of the studied sorbates were simulated using commonly used models and were found to fit well with pseudo‐second‐order and Langmuir models. The Co(II) ion adsorption capacity of PP was determined as 12.25, 16.44, and 20.74 mg/g, respectively, at various temperatures (25, 35, and 45 °C), while the adsorption capacity of MPP under the same conditions was determined as 41.49, 52.35, and 62.50 mg/g. Thermodynamic parameters determined for each sorption system showed that the sorption processes were endothermic and spontaneous. The results of this study emphasize that both PP and MPP can be used as effective sorbents for removing pollutants from water.
Evaluation of Phytochemicals for Anti‐Tubercular Potential Targeting Enoyl‐Acyl Carrier Protein Reductase (InhA): An In Silico Approach
Authors: Gupta Poonam , Sarfraz Aqib , Yadav Jyoti , Singh Palak , Khan Feroz
Published: July 2024

Tuberculosis (TB) caused by the Mycobacterium tuberculosis (MTB) pathogen is a serious contagious illness that endangers the public's health. However, TB is treatable but due to the result of ineffective and protracted medication, MDR‐MTB and XDR‐MTB were able to develop, making their eradication highly challenging and necessitating potential treatments to be cured. This study aimed to identify the novel inhibitor for the InhA enzyme, a potential target of MTB. Initially, 2721 phytochemicals libraries were screened for ADME/Tox profiling and 49 phytochemicals were filtered out. Moreover, these phytochemicals with reference inhibitor triclosan were docked against InhA (PDB ID: 1BVR)., were showing binding energies ranging from −9.16–−6.3 kcal/mol, whereas triclosan showed −6.90 kcal/mol of binding energy. The docking results reveal that irilone (−9.16 kcal/mol) and aurantio‐obtusin (−8.84 kcal/mol) exhibit promising binding energy and perfectly occupy the binding site of InhA. Furthermore, molecular dynamics simulation (MDS) and MMGBSA studies showed better affinities of selected compounds in terms of stability, compactness, flexibility, and total BFE in complexes with InhA. This study concluded that irilone and aurantio‐obtusin could be promising InhA inhibitors based on their impressive pharmacokinetic profiling, toxicity, binding affinity, and stability. However experimental validation is a subject of further research.
Synergistic Effects of In‐Situ‐Formed Multivalent Titanium and Mg2Ni for Improving the Hydrogen‐Storage Properties of MgH2
Authors: Wang Yazhou , Wang Shunxiang , He Qingjie , Sun Weiqi , Wu Jiaao , Xia Yongpeng , Xiang Cuili , Zou Yongjin , Xu Fen , Sun Lixian
Published: July 2024

Magnesium hydride (MgH2) has gained significant consideration as a cost‐effective solid‐state hydrogen‐storage material with a substantial hydrogen capacity. However, its practical applications are impeded by its poor kinetics and high thermal stability. In this study, we employed a hydrothermal method and high‐temperature calcination to prepare well‐dispersed NiTiO3 nanoparticles smaller than 20 nm. Next, we investigated the effect of the NiTiO3 nanoparticles for educating the hydrogen storage performance of MgH2. The synergistic catalytic effect of multivalent titanium and Mg2Ni/Mg2NiH4 enhanced hydrogen storage performance of the MgH2 system. The addition of 5 wt % NiTiO3 lowered the initial hydrogen evolution temperature of MgH2 to 194 °C. After 12 minutes at 275 °C, the 5 wt % NiTiO3‐MgH2 composites released 6.1 wt % of hydrogen. The dehydrogenation activation energy (Ea) of the 5 wt % NiTiO3‐MgH2 composites decreased significantly to 38.78±2.1 kJ/mol. Furthermore, hydrogen uptake of 5 wt % NiTiO3‐MgH2 at 125 °C reaches 5.1 wt % in 300 s under hydrogen pressure of 20 bar. These findings introduce an innovative concept for preparing high active catalysts for improving the dehydrogenation/hydrogenation kinetics of MgH2.
Innovative Nanocomposite Coating for Aluminum Alloy in the Aircraft Manufacturing Industry with Increased Mechanical Strength, Flame Retardancy, and Corrosion Resistance
Authors: Xavier Joseph Raj
Published: July 2024

Nanocomposites containing impermeable two‐dimensional materials are of significant interest for protecting metals against corrosion. Incorporating 4‐aminobutyltriethoxysilane (ABES) functionalized tantalum nitride (TaN) into a coating matrix enhances the barrier effect due to TaN's notable chemical and thermal stability. When integrated with graphitic carbon nitride (GCN) in polyurethane (PU), functionalized TaN significantly improves corrosion resistance and fire‐retardant capabilities. Electrochemical evaluations of aluminum coated with varying amounts of functionalized TaN/GCN in PU demonstrated substantial enhancements in protective behavior in chloride environments. The PU nanocomposite exhibited superior flame retardancy, with significant reductions in peak heat release rate (PHRR), total heat release (THR), and total smoke production (TSP) compared to pure PU. Flame retardancy tests demonstrated increased thermal stability, attributed to the synergistic effects between GCN and silanized TaN. Electrochemical impedance spectroscopy (EIS) measurements showed a high coating resistance of 8.89×1011 Ω cm2 for PU/functionalized TaN/GCN, even after 40 days of electrolyte exposure. Additionally, the PU/functionalized TaN/GCN coating demonstrated exceptional water repellency, indicated by a water contact angle (WCA) of 164°. Mechanical tests revealed that PU/functionalized TaN/GCN exhibited favorable adhesion strength and hardness, maintaining integrity even under prolonged immersion. These findings suggest that this nanocomposite is a promising coating component for aerospace applications. The integration of functionalized TaN/GCN within the PU matrix presents a novel approach to developing multifunctional coatings with enhanced performance across various metrics essential for aerospace materials.
Water‐Soluble Alumina‐Coated Indium Phosphide Core–Shell Quantum Dots with Efficient Deep‐Red Emission Beyond 700 nm
Authors: Saha Avijit , Yadav Ranjana , Rivaux Céline , Aldakov Dmitry , Reiss Peter
Published: July 2024

Solution‐processed colloidal III‐V semiconductor‐based quantum dots (QDs) represent promising and environmentally‐friendly alternatives to Cd‐based QDs in the realms of optoelectronics and biological applications. While InP‐based core–shell QDs have demonstrated efficient light‐emitting diode (LED) performance in the visible region, achieving deep‐red emission (above 700 nm) with a narrow linewidth has proven challenging. Herein, the study presents a novel strategy for synthesizing InP/ZnSe/ZnS core–shell–shell QDs tailored for emission in the first biological transparency window. The resulting QDs exhibit an emission wavelength up to 725 nm with a narrow peak full width at half maximum (FWHM) down to 107 meV (45 nm). To enhance the biocompatibility and chemical stability of the QDs, their surface is further capped with a layer of amorphous alumina resulting in an InP/ZnSe/ZnS/Al2O3 heterostructure. This surface passivation not only ensures environmental‐ and photostability but also enhances the photoluminescence quantum yield (PLQY). The alumina capping enables the aqueous phase transfer via surface ligand exchange using mercaptopropionic acid (MPA) while maintaining the initial quantum yield. The resulting QDs demonstrate a significant potential for advancing next‐generation optoelectronic technologies and bio‐applications.
Incorporating ReS2 Nanosheet into ZnIn2S4 Nanoflower as Synergistic Z‐Scheme Photocatalyst for Highly Effective and Stable Visible‐Light‐Driven Photocatalytic Hydrogen Evolution and Degradation
Authors: Jia Le , Ma Nan , Shao Panpan , Ge Yanqing , Liu Jinhong , Dong Wen , Song Huaxuan , Lu Chunhui , Zhou Yixuan , Xu Xinlong
Published: July 2024

Inspired by natural photosynthesis, the visible‐light‐driven Z‐scheme system is very effective and promising for boosting photocatalytic hydrogen production and pollutant degradation. Here, a synergistic Z‐scheme photocatalyst is constructed by coupling ReS2 nanosheet and ZnIn2S4 nanoflower and the experimental evidence for this direct Z‐scheme heterostructure is provided by X‐ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy, and electron paramagnetic resonance. Consequently, such a unique nanostructure makes this Z‐scheme heterostructure exhibit 23.7 times higher photocatalytic hydrogen production than that of ZnIn2S4 nanoflower. Moreover, the ZnIn2S4/ReS2 photocatalyst is also very stable for photocatalytic hydrogen evolution, almost without activity decay even storing for two weeks. Besides, this Z‐scheme heterostructure also exhibits superior photocatalytic degradation rates of methylene blue (1.7 × 10−2 min−1) and mitoxantrone (4.2 × 10−3 min−1) than that of ZnIn2S4 photocatalyst. The ultraviolet–visible absorption spectra, transient photocurrent spectra, open‐circuit potential measurement, and electrochemical impedance spectroscopy reveal that the superior photocatalytic performance of ZnIn2S4/ReS2 heterostructure is mostly attributed to its broad and strong visible‐light absorption, effective separation of charge carrier, and improved redox ability. This work provides a promising nanostructure design of a visible‐light‐driven Z‐scheme heterostructure to simultaneously promote photocatalytic reduction and oxidation activity.
Comprehensive Investigation of the Crystal Structure of Cation‐Disordered Li3VO4 as a High‐Rate Anode Material: Unveiling the Dichotomy between Order and Disorder
Authors: Matsumura Keisuke , Rozier Patrick , Iwama Etsuro , Ohara Koji , Orikasa Yuki , Naoi Wako , Simon Patrice , Naoi Katsuhiko
Published: July 2024

This study investigates mechanochemical synthesis and cation‐disordering mechanism of wurtzite‐type Li3VO4 (LVO), highlighting its promise as a high‐performance anode material for lithium‐ion batteries and hybrid supercapacitors. Mechanochemical treatment of pristine LVO using a high‐energy ball mill results in a “pure cation‐disordered” LVO phase, allowing for meticulous analysis of cation arrangement. The X‐ray and neutron diffraction study demonstrates progressive loss of order in LVO crystal with increasing milling duration. High‐resolution transmission electron microscopy reveals disrupted lattice fringes, indicating cationic misalignment. Pair‐distribution function analysis confirms loss of cation arrangements and the presence of short‐range order. Combination of these multiple analytical techniques achieves a comprehensive understanding of cation regularity and clearly demonstrates order/disorder dichotomy in cation‐disordered materials, ranging from short (<8 Å) to middle‐long range (8–30 Å), using an integrated superstructure model of the cation‐disordered LVO crystals. Electrochemical testing reveals that mechanochemically treated LVO exhibits superior rate capability, with a 70% capacity retention at a high current density of 50C‐rate. Lithium diffusion coefficient measurements demonstrate enhanced lithium‐ion mobility in the mechanochemically treated LVO, attributed to cation‐disordering effect. These findings provide valuable insights into mechanochemical cation‐disordering in LVO, presenting its potential as an efficient anode material for lithium‐ion–based electrochemical energy storage.
Observation of Initial Interfacial Reaction between High Aluminum Molten Steel and CaO–Al2O3 Inclusion at 1873 K Using Laser Confocal Scanning Microscopy and Micro‐Computerized Tomography
Authors: Wang Weijian , Gao Yuan , Ren Ying , Zhang Lifeng
Published: July 2024

A new method is proposed to investigate the transient reaction between the CaO–Al2O3 inclusion from slag entrainment and the high aluminum molten steel. The confocal laser scanning microscopy, the X‐ray computerized tomography technology, and the scanning electron microscope‐energy dispersive spectrometer are combined to observe the variation of the size, shape, and composition of the entrained slag inclusion with time. The CaO in the inclusion is reduced by the dissolved aluminum in the molten steel. With the increase of the dissolved aluminum content from 0.02 to 5.73 wt%, the CaO in inclusions under equilibrium state decreased from 55 to 35 wt%. The reaction between the dissolved aluminum in the steel and the CaO in the calcium aluminate inclusion at 1873 K is discussed through thermodynamic and kinetic calculations, which are consistent with experimental results. It is indicated that the mass transfer coefficient of the CaO in the inclusion is 2.95 × 10−5 m s−1.
Optimization of Vortex Slag Entrainment during Ladle Teeming Process in the Continuous Casting of Automobile Outer Panel
Authors: Zhou Haichen , Li Haibo , Deng Xiaoxuan , Liu Baisong , Ji Chenxi , Chen Bin , Wang Chong , Zhao Changliang
Published: July 2024

With the thinner of the automobile panel, the press crack defects caused by the large‐size calcium aluminate inclusions at the automakers become obvious. Herein, in order to stabilize the control of calcium aluminate inclusions in the molten steel, the vortex slag entrainment (VSE) of a 300 ton ladle is investigated by the numerical simulation. The effects of the steel throughput, cofferdam height close to the nozzle, and ladle bottom structure on the VSE are analyzed. Results demonstrate that the residual molten steel (RMS) in the ladle and the critical height of the vortex increase with the increasing of the steel throughput. The RMS increases with the increasing of the cofferdam height when the VSE occurs. When the cofferdam height is 50, 100, and 150 mm, the RMS are 4.71, 7.19, and 9.62 t at the initial time of the VSE with a 7.5 ton min−1 steel throughput. In addition, the industrial trial of transforming the flat bottom ladle into the slope bottom ladle is carried out to control the VSE and reduce the RMS. The average weight of the RMS after pouring 25 heats of the slope ladle bottom ladle is 1.85 t less than that of the flat bottom ladle.
Unveiling the Reactivity and the Li‐Ion Exchange at the PEO‐Li6PS5Cl Interphase: Insights from Solid‐State NMR
Authors: Ghorbanzade Pedram , Pesce Arianna , Armand Michel , Gómez Kerman , Devaraj Shanmukaraj , López‐Aranguren Pedro , López del Amo Juan Miguel
Published: July 2024

Li6PS5Cl (LPSCl) argyrodites offer high room temperature ionic conductivity (>1 mS cm−1) and are among the most promising solid electrolytes. However, their chemical instability against Li metal compromises the long‐term cyclability. Using PEO‐LiTFSI as an interlayer or as a matrix for composite electrolytes is a promising strategy to address this issue. Nevertheless, the interphase of PEO‐LiTFSI and LPSCl requires further detailed investigations. This work explores the interfacial reactions between these phases using solid‐state nuclear magnetic resonance. Results show that PEO facilitates the formation of a complex with LiCl and Li3PS4 from LPSCl, resulting in an interphase material with limited local mobility, thus impeding ion transport. Although the addition of Br as a dopant can improve the ionic conductivity of LPSCl by inducing disorder and generating the Li vacancies, it makes the LPSCl more susceptible to PEO and increases the extent of the interfacial reaction. 6Li–6Li EXSY experiments demonstrate spontaneous Li‐ion exchange between the PEO and the LPSCl, yet this exchange is significantly hindered by reaction products within the PEO‐LPSCl interphase, attributable to their sluggish local dynamics. This study sheds light on the complex interfacial interaction between PEO‐LiTFSI and sulfide argyrodite, providing insights into designing solid electrolytes for the new generation of electrochemical devices.
Interfacial Synthesis of Two‐Dimensional Porphyrin Polymer Films with Large Optical Nonlinearity
Authors: Zhao Fengxiang , Zhang Geping , Xie Wei , Kong Xin , Duan Xiaomeng , Fu Yubin , Zhang Jichao , Gao Guoquan , Zhu Tong , Hao Jingcheng , Li Hongguang , Dong Renhao
Published: July 2024

Two‐dimensional polymers (2DPs) and their layer‐stacked 2D covalent organic frameworks have recently emerged as nonlinear optical (NLO) materials for potential applications in optics. However, the chemistry for designing third‐order NLO 2DP films with large nonlinear absorption coefficient (β) has remained a mystery. Herein, three highly crystalline porphyrin‐integrated 2D polyimines (named as 2DPI‐Zn‐Azo, 2DPI‐2H‐Azo, and 2DPI‐Zn), which are homogeneous films showing large lateral areas over cm2, uniform transparency, and thickness of tens of nanometers are reported. Particularly, the 2DPI‐Zn‐Azo film comprising zinc porphyrin and –NN– displays a large saturable absorption under 532 nm and the highest β (−1.88 × 105 cm GW−1) among the three 2D polyimines, that is also 2–5 orders of magnitude higher than the state‐of‐art performance of photoactive small molecules, porphyrin‐integrated 2DPs, and inorganic 2D materials. Control experiments in combination with theoretical calculation discover that the embedding of metal centers and –NN– results in highly delocalized π‐electrons and narrow bandgap in 2DPI‐Zn‐Azo, which enables fast transfer of the photogenerated electrons after the light‐excited charge separation, thus boosting the NLO performance. This work opens up a new path for the construction of highly efficient third‐order NLO film materials, and pushes the development of 2DPs for optics and optoelectronics.
Inhibited superoxide‐induced halide oxidation with a bioactive factor for stabilized inorganic perovskite solar cells
Authors: Duan Xingxing , Duan Jialong , Liu Naimin , Li Jiabao , Dou Jie , Zhang Xinyu , Guo Qiyao , Wang Yingli , Wang Zhen , Zhao Yuanyuan , Jiang Chi , Li Jinze , Tang Qunwei
Published: July 2024

Active oxygen highly affects the efficiency and stability of perovskite solar cells (PSCs) owing to the capacity to either passivate defects or decompose perovskite lattice. To better understand the in‐depth interaction, we demonstrate for the first time that photooxidation mechanism in all‐inorganic perovskite film dominates the phase deterioration kinetics by forming superoxide species in the presence of light and oxygen, which is significantly different from that in organic‒inorganic hybrid and even tin‐based perovskites. In all‐inorganic perovskites, the superoxide species prefer to oxidize longer and weaker Pb‒I bond to PbO and I2, leaving the much stable CsPbBr3 phase. From this chemical proof‐of‐concept, we employ an organic bioactive factor, Tanshinone IIA, as a superoxide sweeper to enhance the environmental tolerance of inorganic perovskite, serving as a “skincare” agent for anti‐aging organisms. Combined with another key point on healing defective lattice, the best carbon‐based all‐inorganic CsPbI2Br solar cell delivers an efficiency as high as 15.12% and superior stability against oxygen, light, humidity, and heat attacks. This method is also applicable to enhance the efficiency of p‒i‒n inverted (Cs0.05MA0.05FA0.9)Pb(I0.93Br0.07)3 cell to 23.46%. These findings not only help us understand the perovskite decomposition mechanisms in depth but also provide a potential strategy for advanced PSC platforms.
Cows in the city: How consumer demands sustain urban dairying in the IT capital of India
Authors: Yousefian Neda , Alam Shahin , Ramappa Kumsher Basavarajappa , Schlecht Eva , Dittrich Christoph
Published: July 2024

Spurred by rising incomes and urbanization, the “nutrition transition” in India has led to many dietary changes, including an increase in per capita milk consumption, which has quadrupled since 1970. We examine how changing preferences for milk are shaping consumer demand and the rise in dairy consumption. We focus on urban dairying and milk alternative food networks (AFNs), in which farmers sell directly to consumers. To better understand milk AFNs, we interviewed consumers (n = 95) and dairy farmers (n = 62) in urban (within 15 km) and peri‐urban (15–30 km) areas of the south Indian megacity Bengaluru. Consumers were grouped by location and the type of milk they purchase. Dairy farmers were grouped based on their farm distance to the city center and the breed of cattle they rear: indigenous (Bos indicus) or crossbred (Bos indicus × Bos taurus). We found that demand for farm‐fresh milk is driven by concerns for freshness, quality, and health. In our sample, urban dairy farmers are producing more milk and more frequently cite dairying as their sole or primary source of income compared to peri‐urban farmers. The role of milk AFNs is thus two‐fold: they allow consumers to know the origins of their milk, and they provide a marketing channel for farmers in the absence of urban dairy cooperatives. While urbanization tends to push dairying to peri‐urban and rural areas, the consumer demand for farm‐fresh milk, as well as the cultural and religious significance of the cow in India, is prolonging their presence in Indian cities.
Hepatic siderosis in a neonatal gemsbok (Oryx gazella)
Authors: Kim Hyo‐Sung , Son Jang‐Won , Yeo Yong‐Gu , Do Sun Hee
Published: July 2024

This report describes the case of a 5‐day‐old gemsbok (Oryx gazella) that experienced sudden convulsions and tachypnoea on the fifth day after birth. Serum chemistry analysis revealed multiple abnormalities, including hyperammonaemia, hyperbilirubinemia, hyperlipidaemia, hyperglycaemia and hyperphosphataemia. Despite therapeutic intervention to address these abnormalities, the animal succumbed to the symptoms approximately 12 hours later. Histopathological examination revealed iron accumulation primarily in periportal hepatocytes. Infectious diseases were unlikely as the aetiology, given the minimal inflammation observed in the complete blood count and histopathology results, as well as a negative blood culture result. Therefore, we propose alloimmune disease as the suspected underlying cause, leading to hepatic siderosis in the gemsbok.
Adapting to PFAS contamination of private drinking water wells near a PFAS production facility in the US Atlantic Coastal Plain of North Carolina
Authors: VanDerwerker Tiffany J. , Knappe Detlef R.U. , Genereux David P.
Published: July 2024

Perfluoroalkyl and polyfluoroalkyl substances (PFAS) are widespread groundwater contaminants and are present in over 7000 drinking water wells near a North Carolina (NC) PFAS plant (Chemours). To understand options available to affected residents, we used new and previously existing water quality data to investigate deeper aquifers as alternate drinking water supplies and compared the regulatory responses near Chemours and three other PFAS production facilities with nearby contaminated wells. Data from >100 wells show that GenX concentrations decrease with increasing depth through the four aquifers in the study area: surficial, Black Creek, Upper Cape Fear, and bedrock. This illustrates the extent of vertical PFAS penetration through the aquifer sequence following roughly 40 years of atmospheric emissions. Detailed data on 143 water quality parameters in nine deep wells (two Upper Cape Fear, seven bedrock) revealed only eight exceedances of drinking water standards (one each for arsenic, perfluorooctanoic acid [PFOA], iron, chloride, and gross alpha, and three for manganese) and nine exceedances of health advisories (all for sodium). Regulatory responses to PFAS contamination of wells in four states included mention of deeper wells as an alternate water source only for nonresidential users in NC and residential users in Vermont. The bedrock aquifer is currently used by some residents and may be a viable alternative to shallower groundwater, though arsenic treatment may be beneficial at some deep wells and long‐term sustainability of the aquifer should be evaluated.

Practitioner Points

GenX concentrations decreased with increasing depth in four aquifers near a PFAS plant.

A few exceedances of drinking water standards and health advisories were found in deep bedrock wells.

New bedrock wells could be part of the response to PFAS issues in shallower wells.

In the long term, deep bedrock wells might be a less expensive option for some residents.
Evaluation of mitigation translocation as a management tool to reduce conflicts between humans and American kestrels
Authors: Washburn Brian E.
Published: July 2024

Raptor‐aircraft collisions (bird strikes) pose a serious safety risk to civil aircraft. Even smaller raptors, such as American kestrels (Falco sparverius), can be problematic within airport environments. Given widespread declines in kestrel populations, public interest, logistical and financial constraints, and other factors, managing kestrels at airports presents some unique challenges. I conducted a study to determine which biological (e.g., age and sex of the bird) and logistical factors (e.g., month and translocation distance) might influence the return of American kestrels live‐captured and translocated from 42 civil airports and military airbases within the contiguous USA during 2016–2021. American kestrels were live‐captured, banded, and translocated various distances from the airfields which were then monitored for returning kestrels. I developed a set of candidate generalized linear mixed models (binomial distribution) involving all possible subsets of 4 factors (age, sex, month, and distance translocated) as well as interactions, and used the location where a kestrel was live‐captured (i.e., airport) as a random factor in all mixed models. The return rate of American kestrels was very low (<4% of the individuals that were translocated). I found no evidence that the biological and logistical factors examined influenced return rates or the number of days it took returning birds to be resighted/recaptured. Management programs that use release sites 15 km from airfields would increase program efficacy and decrease implementation costs. There is no scientific information available regarding the efficacy of American kestrel management programs for reducing kestrel presence on airfields thus, these results provide a basis for informing such management decisions.
Unraveling Strong Supramolecular Assembly of a Novel Pyrene Based Hg(II)‐complex: Insights from Hirshfeld Surface, FMO and Molecular Electrostatic Potential (MEP) Analyses
Authors: Halder Shibashis , Sikdar Yeasin , Afzal Mohd , Guin Mridula , Konar Saugata
Published: July 2024

A rare pyrene‐based coordination compound of Hg(II) [Hg(L)2] (1) (where, HL=2‐((Pyren‐1‐ylmethylene)amino)benzenethiol) was synthesized and characterized by single crystal X‐ray diffraction (SC‐XRD) analysis. Crystallographic analysis revealed that complex 1 has seesaw geometry with HL coordinated as a bidentate ligand to a metal ion. The role of weak forces like π⋅⋅⋅π and CH⋅⋅⋅π interactions in influencing the self‐assembly process appears to be of importance. The electronic structure of the complex was predicted using DFT calculations with mixed basis set. DFT calculated structural parameters are in good agreement with the experimentally obtained parameters from XRD. Molecular reactivity and stability of the complex has been assessed through frontier molecular orbital analysis. Evaluation of molecular electrostatic potential (MEP) displays the electrophilic and nucleophilic reactivity sites. The Hirshfeld surface analysis clearly indicates C−H⋅⋅⋅π interactions and π⋅⋅⋅π stacking interactions are responsible to extend the supramolecular network of the complex. Analyses of the Finger print plots suggest that H⋅⋅⋅H and H⋅⋅⋅C contacts are major interactions for stabilizing the molecular crystal.
Gendered Vulnerabilities and Violence in Rohingya Refugee Camps in Bangladesh
Authors: Salehin Mohammad Musfequs
Published: July 2024

This chapter discusses the various vulnerabilities and violence that refugees experience in the refugee camps in Bangladesh. It argues that Rohingya women continue to bear the scars of violence experienced in Myanmar, exacerbated by the patriarchal and traditional structure of the Rohingya community, resulting in shame, psychological stress, and domestic violence inside the camps. Some victims of domestic violence and husbands’ multiple marriages perceive these practices as justified and part of their daily lives, representing symbolic violence. This chapter illustrates how child marriage for girls is used as a negative coping mechanism, while multiple marriages committed by men are viewed as a form of ‘business’. It also argues that access to justice and everyday safety and well-being are gendered. Furthermore, a gendered form of othering is evident, where Rohingya men are constructed as the ‘monstrous other’, while women are portrayed as victims and vulnerable.
Energy-Efficient AI on the Edge
Authors: Witt Nicolas , Deutel Mark , Schubert Jakob , Sobel Christopher , Woller Philipp
Published: July 2024

This chapter shows methods for the resource-optimized design of AI functionality for edge devices powered by microprocessors or microcontrollers. The goal is to identify Pareto-optimal solutions that satisfy both resource restrictions (energy and memory) and AI performance. To accelerate the design of energyefficient classical machine learning pipelines, an AutoML tool based on evolutionary algorithms is presented, which uses an energy prediction model from assembly instructions (prediction accuracy 3.1%) to integrate the energy demand into a multiobjective optimization approach. For the deployment of deep neural network-based AI models, deep compression methods are exploited in an efficient design space exploration technique based on reinforcement learning. The resulting DNNs can be executed with a self-developed runtime for embedded devices (dnnruntime), which is benchmarked using the MLPerf Tiny benchmark. The developed methods shall enable the fast development of AI functions for the edge by providing AutoML-like solutions for classical as well as for deep learning. The developed workflows shall narrow the gap between data scientist and hardware engineers to realize working applications. By iteratively applying the presented methods during the development process, edge AI systems could be realized with minimized project risks.
Research-based Teacher Education Curriculum Supporting Student Teacher Learning
Authors: Toom Auli , Husu Jukka
Published: July 2024

Coherent research-based teacher education curriculum is of vital importance when educating student teachers for the teaching profession in the academic university context. It is essential that the characteristics and complexities of teachers’ work are comprehensively taken into account in the curriculum. At the same time, the curriculum needs to prepare student teachers to learn an inquiring orientation towards teachers’ work. It is essential that student teacher learning is at the core of teacher education programmes. This means that teacher education should have a clear research-based profile and organising theme, and that its curriculum should be coherent. In addition, pedagogical practices utilised in teacher education need to allow student teacher learning, collaboration with their peer students, active professional agency in a variety of ways, and allow for learning pertaining to taking care of their well-being. Teachers are in a key position in orchestrating pupils’ learning in their own classrooms, as well as in supporting their peer teachers’ learning, promoting pedagogical innovations, and developing schools. Pre-service teacher education should equip student teachers with strong professional agency, which allows them to learn continuously in the profession, support pupils and colleagues, as well as act professionally in continuously changing educational contexts.
Another look at the Matkowski and Wesołowski problem yielding a new class of solutions
Authors: Morawiec Janusz , Zürcher Thomas
Published: July 2024

The following MW-problem was posed independently by Janusz Matkowski and Jacek Wesołowski in different forms in 1985 and 2009, respectively: Are there increasing and continuous functions $$\varphi :[0,1]\rightarrow [0,1]$$

φ
:
[
0
,
1
]
→
[
0
,
1
]

, distinct from the identity on [0, 1], such that $$\varphi (0)=0$$

φ
(
0
)
=
0

, $$\varphi (1)=1$$

φ
(
1
)
=
1

and $$\varphi (x)=\varphi (\frac{x}{2})+\varphi (\frac{x+1}{2})-\varphi (\frac{1}{2})$$

φ

(
x
)

=
φ

(

x
2

)

+
φ

(

x
+
1

2

)

-
φ

(

1
2

)

for every $$x\in [0,1]$$

x
∈
[
0
,
1
]

? By now, it is known that each of the de Rham functions $$R_p$$

R
p

, where $$p\in (0,1)$$

p
∈
(
0
,
1
)

, is a solution of the MW-problem, and for any Borel probability measure $$\mu $$
μ
concentrated on (0, 1) the formula $$\phi _\mu (x)=\int _{(0,1)}R_p(x)\, d\mu (p)$$

ϕ
μ

(
x
)

=

∫

(
0
,
1
)

R
p

(
x
)

d
μ

(
p
)

defines a solution $$\phi _\mu :[0,1]\rightarrow [0,1]$$

ϕ
μ

:

[
0
,
1
]

→

[
0
,
1
]

of this problem as well. In this paper, we give a new family of solutions of the MW-problem consisting of Cantor-type functions. We also prove that there are strictly increasing solutions of the MW-problem that are not of the above integral form with any Borel probability measure $$\mu $$
μ
.
Human induced pluripotent stem cell/embryonic stem cell-derived pyramidal neuronal precursors show safety and efficacy in a rat spinal cord injury model
Authors: Li Mo , Qi Boling , Li Qian , Zheng Tianqi , Wang Ying , Liu Bochao , Guan Yunqian , Bai Yunfei , Jian Fengzeng , Xu Zhi-qing David , Xu Qunyuan , Chen Zhiguo
Published: July 2024

Nerve regeneration and circuit reconstruction remain a challenge following spinal cord injury (SCI). Corticospinal pyramidal neurons possess strong axon projection ability. In this study, human induced pluripotent stem cells (iPSCs) were differentiated into pyramidal neuronal precursors (PNPs) by addition of small molecule dorsomorphin into the culture. iPSC-derived PNPs were transplanted acutely into a rat contusion SCI model on the same day of injury. Following engraftment, the SCI rats showed significantly improved motor functions compared with vehicle control group as revealed by behavioral tests. Eight weeks following engraftment, the PNPs matured into corticospinal pyramidal neurons and extended axons into distant host spinal cord tissues, mostly in a caudal direction. Host neurons rostral to the lesion site also grew axons into the graft. Possible synaptic connections as a bridging relay may have been formed between host and graft-derived neurons, as indicated by pre- and post-synaptic marker staining and the regulation of chemogenetic regulatory systems. PNP graft showed an anti-inflammatory effect at the injury site and could bias microglia/macrophages towards a M2 phenotype. In addition, PNP graft was safe and no tumor formation was detected after transplantation into immunodeficient mice and SCI rats. The potential to reconstruct a neuronal relay circuitry across the lesion site and to modulate the microenvironment in SCI makes PNPs a promising cellular candidate for treatment of SCI.
On Graphs Embeddable in a Layer of a Hypercube and Their Extremal Numbers
Authors: Axenovich Maria , Martin Ryan R. , Winter Christian
Published: July 2024

A graph is cubical if it is a subgraph of a hypercube. For a cubical graph H and a hypercube $$Q_n$$

Q
n

, $$\textrm{ex}(Q_n, H)$$

ex
(

Q
n

,
H
)

is the largest number of edges in an H-free subgraph of $$Q_n$$

Q
n

. If $$\textrm{ex}(Q_n, H)$$

ex
(

Q
n

,
H
)

is at least a positive proportion of the number of edges in $$Q_n$$

Q
n

, then H is said to have positive Turán density in the hypercube; otherwise it has zero Turán density. Determining $$\textrm{ex}(Q_n, H)$$

ex
(

Q
n

,
H
)

and even identifying whether H has positive or zero Turán density remains a widely open question for general H. In this paper we focus on layered graphs, i.e., graphs that are contained in an edge layer of some hypercube. Graphs H that are not layered have positive Turán density because one can form an H-free subgraph of $$Q_n$$

Q
n

consisting of edges of every other layer. For example, a 4-cycle is not layered and has positive Turán density. However, in general, it is not obvious what properties layered graphs have. We give a characterization of layered graphs in terms of edge-colorings. We show that most non-trivial subdivisions have zero Turán density, extending known results on zero Turán density of even cycles of length at least 12 and of length 8. However, we prove that there are cubical graphs of girth 8 that are not layered and thus having positive Turán density. The cycle of length 10 remains the only cycle for which it is not known whether its Turán density is positive or not. We prove that $$\textrm{ex}(Q_n, C_{10})= \Omega (n2^n/ \log ^a n)$$

ex

(

Q
n

,

C
10

)

=
Ω

(
n

2
n

/

log
a

n
)

, for a constant a, showing that the extremal number for a 10-cycle behaves differently from any other cycle of zero Turán density.
Long-term patterns of stream macroinvertebrates in an alpine cirque landscape
Authors: Robinson Christopher T. , Jolidon Christa , Lods-Crozet Brigitte
Published: July 2024

Alpine landscapes are notable regarding their sensitivity to environmental change. Surface waters are especially sensitive as many are influenced by glacial meltwaters that are diminishing with the retreat of glaciers worldwide. The Macun Lakes region, Swiss National Park, is an alpine cirque landscape housing a number of lakes interconnected by streams. The area has been non-glaciated for decades, although rock glaciers are still present in the south basin. Surface waters, 10 stream sites in the present study, have been monitored in mid-summer since the year 2001 for physico-chemistry, periphyton and macroinvertebrates (including 74 species of chironomids). Water physico-chemistry revealed that the two main basins in the catchment differed, reflecting the inputs of rock glacier waters in the south basin. However, trends suggest that waters are becoming more similar as rock glacier inputs diminish over time along with a general decrease in nitrogen levels in all waters. Periphyton biomass showed some spatial differences among sites and a general decrease after 2010. Macroinvertebrate assemblages, including chironomids, clearly differed among basins and spatially along the stream network in each basin. Notably, no significant temporal trend was observed in the long-term data for macroinvertebrates, including chironomids, at the monitored sites. The results suggest that lotic macroinvertebrates may be buffered by the interconnectedness of streams and lakes in the landscape, which mitigates major response patterns of running waters to environmental change.