bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, Spectroscopic Characterization, Antibacterial Activity, Reactivity Parameters, and Molecular Docking Studies of Some Pyridazine Derivatives
Authors: Daoui Said , Parlak Cemal , Direkel Şahin , Ramasami Ponnadurai , Abuelizz Hatem A. , Oulmidi Afaf , Benchat Noureddine , Karrouchi Khalid 
Published: September 2024

AbstractThree novel 4‐aryl‐2‐(2‐(4‐fluorophenyl)‐2‐oxoethyl)‐6‐phenylpyridazin‐3(2H)‐one derivatives were synthesized, and their chemical structures were established based on 1H‐NMR, 13C‐NMR, ESI‐HRMS, and FT‐IR spectral data. Their in vitro antibacterial activities were evaluated against Staphylococcus aureus [MRSA] (Gram‐positive isolate), Escherichia coli and Salmonella typhimurium (Gram‐negative isolates), and Pseudomonas aeruginosa and Acinetobacter baumannii (Gram‐negative nonfermenter isolates), and the results were compared with the standard drug “Amikacin”. The results showed that one of the compounds has good antibacterial activity against P. aeruginosa (MIC = 11.57 µM) and E. coli (MIC = 23.14 µM). In order to gain molecular insights into the compounds, their reactivity properties were studied using density functional theory (DFT), and molecular docking was carried out for the compounds with E. coli MurB protein receptors (2Q85).
Defect‐Rich Porous Carbon Derived from Sodium Alginate and Its Efficient Dye Removal Performances
Authors: Zhou Jie , Liu Yonghong , Wu Yuanyuan , Li Na , Ren Xiaorong , Chen Jinyang , Li Junpei , Feng Ruokun , Yang Zhen , Wang Baoyi , Cao Xingzhong , Yu Runsheng , Zeng Minfeng 
Published: September 2024

AbstractIn this study, we reported a defect‐rich porous carbon (SAC) derived from sodium alginate (SA) via combined processes of high‐temperature carbonization at N2 atmosphere, NaCl hard template, and HCl etching for high‐performance absorbents. Besides the meso/macro‐porous structure characterization performed with usual morphological and structural analysis methods, sub‐nanolevel atomic microdefects of the derived SAC were investigated by positron annihilation lifetime spectroscopy (PALS) for the first time. All the samples displayed hierarchical pore structure, including numerous 3D‐interconnected macroporous (0.5‐2 µm), abundant mesopores (3‐5 nm), and rich intrinsic microdefects (mean size of 0.304 nm). The specific surface area and pore volume of the optimized SAC sample were 1191.3 m2·g−1 and 0.69 cm3·g−1, respectively. It was confirmed that the adsorption process of the derived SAC to the dye molecules mainly occurred through a chemical and monolayer adsorption mechanism. The SAC sample showed high efficiency in dye removal, with superior removal capacitance of 230.5 mg·g−1 for anionic dye of methyl orange (MO) and 1655.1 mg·g−1 for cationic dye of Rhodamine B (RhB) at pH = 7, respectively, which were about two times of that of commercial AC for the presence of more active sites of the derived SAC. This study also exhibited that the derived defect‐rich porous carbons from natural‐polymers of SA can be considered as an effective adsorbent to remove MO and RhB dyes from industrially polluted water at neutral pH conditions.
Investigation of Cuckoo‐Pint's (Arum maculatum) Phytochemistry, In Vitro Antioxidant Potential, Enzyme Inhibition, and Antimicrobial Activity
Authors: Aslan Kübra , Kelle Kader , Yilmaz Mustafa Abdullah , Erden Kopar Emre , Gulcin Ilhami 
Published: September 2024

AbstractArum maculatum, cuckoo‐pint in folk linguistics, is a poisonous but medicinal plant with tremendous properties that need investigation. This study subjected cuckoo‐pint's parts to in vitro antioxidant, enzyme inhibition, and antimicrobial susceptibility testing to investigate its biological activity. Further, phytochemistry was analyzed by both LC–MS/MS and total phenol, flavonoid, saponin, and reducing sugar content determination assays. Antioxidant activities were determined by Fe3+, Cu2+, Fe3+‐TPTZ metal‐reducing ability, 1,1‐diphenyl‐2‐picrylhydrazyl (DPPH) and 2,2ʹ‐azino‐bis‐3‐ethylbenzothiazoline‐6‐sulfonic acid (ABTS) radical scavenging assays. According to the results, seeds and berries have remarkable metal‐reducing and radical‐scavenging effects as natural and synthetic analogs such as ascorbic acid, butylated hydroxyanisole, butylated hydroxytoluene, trolox, and α‐tocopherol. Inhibition studies over human carbonic anhydrase II (hCA II), acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and α‐amylase were performed, and IC50 values were determined for each enzyme inhibition. According to the results, the cuckoo‐pint seeds inhibited the AChE, BChE, and hCA II activity with greater IC50 values than reference inhibitors. Antimicrobial activity over pan‐resistant strains was achieved for each strain with the extracts, at least 20 mm zone diameter was obtained with the lowest concentrations. LC–MS/MS results revealed 24 bioactive metabolites associated with the extracts’ biological activity. Notably, quinic acid and epicatechin correlated with cardioprotective, neuroprotective, antioxidant, and antidiabetic activity.
Excellent Electrochemical Performance of Air Plasma‐Treated CoMn2O4 Electrode for Supercapacitors
Authors: K. C. Sowmiya , K. A. Vijayalakshmi 
Published: September 2024

AbstractCobalt manganese oxide (CoMn2O4) material production and characterization are presented in this work in preparation for their possible application in supercapacitors. The synthesis process used is a top‐down solid‐state strategy that is both economical and environmentally benign. After 500 °C post‐calcination, phase purity is verified by X‐ray diffraction (XRD) analysis. In the CoMn2O4, significant metal oxide vibrational modes are shown by Fourier transform infrared spectroscopy (FTIR). Raman spectroscopy is used to characterize structure, through elemental color mapping, energy‐dispersive X‐ray spectroscopy (EDX), and field emission scanning electron microscopy (FE‐SEM), researchers analyze morphological characteristics. Cyclic voltammetry (CV) and galvanostatic charge–discharge (GCD) experiments distinctly demonstrate that plasma treatment enhances the material properties including intensity, bending vibrations, morphology, and capacitance. After being exposed to air plasma, the resultant CoMn2O4 shows a notable capacitance of 961 F/g at 0.5 mA/g in a 2 M KOH electrolyte. These findings together suggest that CoMn2O4 has potential as an electrode material for supercapacitor research.
A systematic review and meta‐analysis of the parental stress scale's psychometric properties
Authors: Montoro‐Pérez Néstor , Alós‐Maldonado Raúl , Montejano‐Lozoya Raimunda , Richart‐Martínez Miguel , Martínez‐Alzamora Nieves 
Published: September 2024

AbstractParental stress can affect the ability of parents to cope with the challenges of raising children. The result can be a negative cycle within the family dynamic, which in turn can interfere with children's development and emotional regulation. Among the many instruments available to assess parental stress, the Parental Stress Scale (PSS) deserves particular mention. To our knowledge, there are currently no systematic reviews evaluating the psychometric properties of the PSS. The aim of this systematic review was to assess the psychometric properties of the PSS using the COSMIN (COnsensus‐based Standards for the selection of health Measurement INstruments) methodology and to conduct a meta‐analysis. A thorough literature search was conducted from different databases. A meta‐analysis to test the generalisability of PSS internal consistency across its component factors was performed. A total of 20 validation studies of the PSS were identified. Based on the COSMIN methodology, this instrument receives an ‘A’ rating, meaning that it is considered to be a cross‐sectional instrument with the necessary scientific evidence for the assessment of the construct of parental stress. The meta‐analysis testing the generalisability of its internal consistency yielded satisfactory results across the different factors. Future research should focus on those psychometric properties of the PSS that have not been studied as extensively, such as reproducibility, responsiveness, measurement error, and measurement invariance.
Fabrication of Conical Microstructure Array for Stable Droplet Generation Over Wide Flow Rate Range
Authors: Chen Tingting , Cui Licong , He Wang , Zhao Zhijun , Liu Huiyun , Qian Linmao , Yu Bingjun 
Published: September 2024

AbstractDroplet generators with the ability to resist flow fluctuations are of importance for microfluidic chip analysis systems. However, obtaining stably desired‐size droplets is still a bugbear since even slight fluctuations can cause polydisperse droplets. In this study, a high‐performance droplet generator is achieved with a functional conical array housed in the junction of the channels. The conical microstructures are fabricated through the selective etching of the scratched silicon nitride/silicon (Si3N4/Si) substrate in potassium hydroxide (KOH) etchant, where the combination of lateral and normal material removal contributes to the structure formation. It is found that the key role of the conical microstructures is to regulate the flow rate of the continuous phase, which allows droplet generation to turn to the necking phase and enables droplets to shed more easily. It is also noted that the droplet generator with such a conical array can produce monodisperse droplets in wide‐range flow, providing new insights for high‐quality device design.
Deconstruction Engineering of Lignocellulose Toward High‐Plateau‐Capacity Hard Carbon Anodes for Sodium‐Ion Batteries
Authors: Huang Zongyi , Huang Jiahong , Zhong Lei , Zhang Wenli , Qiu Xueqing 
Published: September 2024

AbstractBiomass‐derived hard carbon is a promising anode material for commercial sodium‐ion batteries due to its low cost, high capacity, and stable cycling performance. However, the intrinsic tight lignocellulosic structure in biomass hinders the formation of sufficient closed pores, limiting the specific capacity of obtained hard carbons. In this contribution, a mild, industrially mature pretreatment method is utilized to selectively regulate biomass components. The hard carbon with a rich closed pore structure is prepared by optimizing the appropriate ratio of biomass composition. Optimized etching conditions enhanced the closed pore volume of hard carbon from 0.15 to 0.26 cm3 g−1. Consequently, the engineered hard carbon exhibited excellent electrochemical performance, including a high reversible capacity of 346 mAh g−1 with a high plateau capacity of 254 mAh g⁻¹ at 50 mA g⁻¹, robust rate capability, and cycling stability. The optimized hard carbon shows an 88 mAh g⁻¹ increase in plateau capacity compared to hard carbon from directly carbonizing bamboo fibers. This mature approach provides an easy‐to‐operate industrial pathway for designing high‐capacity biomass‐based hard carbons for sodium‐ion batteries.
Single Crystalline GeSe Van Der Waals Ribbons With Uniform Layer Stacking, High Carrier Mobility, and Adjustable Edge Morphology
Authors: Sutter Eli , Kisslinger Kim , Wu Lijun , Zhu Yimei , Yang Seunghoon , Camino Fernando , Nam Chang‐Yong , Sutter Peter 
Published: September 2024

AbstractPerformance of the group IV monochalcogenide GeSe in solar cells, electronic, and optoelectronic devices is expected to improve when high‐quality single crystalline material is used rather than polycrystalline films. Crystalline flakes represent an attractive alternative to bulk single crystals as their synthesis may be developed to be scalable, faster, and with higher overall yield. However, large – and especially large and thin – single crystal flakes are notoriously hard to synthesize. Here it is demonstrated that vapor‐liquid‐solid growth combined with direct lateral vapor‐solid incorporation produces high‐quality single crystalline GeSe ribbons with tens of micrometers size and controllable thickness. Electron microscopy shows that the ribbons exhibit perfect equilibrium (AB) van der Waals stacking order without extended defects across the entire thickness, in contrast to the conventional case of substrate‐supported flakes where material is added via layer‐by‐layer nucleation and growth on the basal plane. Electrical measurements show anisotropic transport and a high Hall mobility of 85 cm2 V−1 s−1, on par with the best single crystals to date. Growth from mixed GeSe and SnSe vapors, finally, yields ribbons with unchanged structure and composition but with jagged edges, promising for applications that rely on ample chemically active edge sites, such as catalysis or photocatalysis.
Effects of Coprecipitation Conditions on the Electrochemical Properties of Cobalt‐Free LiNi0.9Mn0.1‐xAlxO2 Cathodes
Authors: Lee Steven , Kmiec Steven , Manthiram Arumugam 
Published: September 2024

AbstractCommercializing high‐nickel, cobalt‐free cathodes, such as LiNi0.9Mn0.1‐xAlxO2 (NMA‐90), hinges on effectively incorporating Al3+ during the hydroxide coprecipitation reaction. However, Al3+ coprecipitation is nontrivial as Al3+ possesses unique precipitation properties compared to Ni2+ and Mn2+, which impact the final precursor morphology and consequently the cathode properties. In this study, the nuance of Al3+ coprecipitation and its influence on the cycling stability of NMA with increasing Al3+ content is elucidated. While low reaction pH and ammonia concentration are suitable for producing Al‐free LiNi0.9Mn0.1O2 (NM‐90) effectively, the same coprecipitation environment leads to porous precursor morphology and poor cycle life in Al‐containing LiNi0.9Mn0.08Al0.02O2 (NMA‐900802) and LiNi0.9Mn0.05Al0.05O2 (NMA‐900505). By systematically increasing the reaction pH and ammonia concentration for the Al‐containing compositions, the precursor morphology becomes denser and the cathode cycling stability is greatly improved. It is hypothesized that the improvement in cycling stability stems from the reduction in Al(OH)3 nucleation, which promotes hydroxide particle growth with optimal Al3+ incorporation into the cathode lattice.
Construction of Chiral‐Magnetic‐Dielectric Trinity Structures with Different Magnetic Systems for Efficient Low‐Frequency Microwave Absorption
Authors: Zhang Hao , Sun Chen , Jiang Yuchen , Fan Zeng , Che Renchao , Pan Lujun 
Published: September 2024

AbstractThe fabrication of carbon nanocoil (CNC)‐based chiral‐dielectric‐magnetic trinity composites holds great significance in low‐frequency microwave absorption fields. However, it is not clear that how the different magnetic systems affect the magnetic and frequency responses of the composites. Herein, four types of magnetic metals, FeCo, CoNi, FeNi, and FeCoNi, are selected to be combined with the chiral templates respectively, resulting in four types of chiral‐dielectric‐magnetic composites with similar morphology. The CNC templates endow all the composites with excellent dielectric loss. Further permeability analysis and the micro‐magnetic simulation confirm that the frequency response region can be well adjusted by changing the magnetic systems with specific magnetic resonance modes and magnetic domain motion. Due to the synergistic effect between magnetism, chirality, and dielectricity, the FeNi‐based composites exhibit the best low‐frequency microwave absorption performance. The minimum RL of −60.7 dB is achieved at 6.7 GHz with an ultra‐low filling ratio of 10%, and the EAB value in low‐frequency region is extended to 3.7 GHz. This study provides further guidelines for the design of the chiral‐dielectric‐magnetic trinity composites in low‐frequency microwave absorption.
Safe design and evolution of smart contracts using dynamic condition response graphs to model generic role‐based behaviors
Authors: Xu Yibin , Slaats Tijs , Düdder Boris , Troels Hildebrandt Thomas , Van Cutsem Tom 
Published: September 2024

AbstractSmart contracts executed on blockchains are interactive programs where external actors generate events that trigger function invocations. Events can be emitted by participants asynchronously. However, some functionalities should be restricted to participants inhabiting specific roles in the system, which might be dynamically adjusted while the system evolves. We argue that current smart contract languages adopting imperative programming paradigms require additional complicated access control code. Furthermore, smart contracts are often developed and evolved independently and cannot share a joint access control policy. This makes it challenging to ensure the correctness of access control properties and to maintain correctness when the contracts are adapted. We propose using dynamic condition response (DCR) graphs for role‐based and declarative access control for smart contracts and techniques for test‐driven modelling and refinement of DCR graphs to support the safe design and evolution of smart contracts. We show that they allow for capturing and visualizing a form of dynamic access control where access rights evolve as the contract state progresses. Their use supports the straightforward declaration of access control rights, improved code auditing, test‐driven modelling, and safe evolution of smart contracts and improves users' understanding.
The brachiopod faunas from the Fezouata Shale (Lower Ordovician; Tremadocian–Floian) of the Zagora area, Anti‐Atlas, Morocco: evidence for a biodiversity hub in Gondwana
Authors: Candela Yves , Harper David A. T. , Mergl Michal 
Published: September 2024

AbstractSince the early 2000s, the discovery of fossils and their collection from the Fezouata Shale has accelerated; enabling us to understand the faunas more thoroughly. The brachiopod fauna has not been investigated for the past 50 years, and we present here the results of our recent studies. From the material (c. 350 samples), 30 species were identified and assigned to 23 genera. Among these, one new genus (Tinzoulinorthis) and four new species (Wosekella maghribi, Rafanoglossa inversa, Orbithele tazagurta, Lacunites punctum) are erected; one taxon is recognized at the family level. The fauna described from the upper Tremadocian horizons is more diverse than those in the Floian. The former is characterized by a high γ‐diversity, although at the horizon level the α‐diversity is low to medium. This fauna is typical of high‐energy, shallow‐water, unstable environmental conditions, in which long‐lived communities were prevented from developing into climax communities, and the succession of opportunists were regularly smothered in situ and killed by storm deposits. Multivariate analyses of the faunas indicate that the Tremadocian fauna, characterized by many endemic taxa, has closer affinities with faunas from peri‐Gondwanan terranes, in particular Bohemia. The Tremadocian Fezouata fauna is very rich in taxon first occurrences, which, coupled with a high γ‐diversity, suggest that it may have been a diversity hub. In contrast, the Floian Fezouata fauna not only shows stronger connections with Bohemia and the Montagne Noire, it also has links with the South Urals and Baltica, reflecting the changing Early Ordovician palaeogeography.
Misclassification Excess Risk Bounds for 1‐Bit Matrix Completion
Authors: Tien Mai The 
Published: September 2024

ABSTRACTThis study investigates the misclassification excess risk bound in the context of 1‐bit matrix completion, a significant problem in machine learning involving the recovery of an unknown matrix from a limited subset of its entries. Matrix completion has garnered considerable attention in the last two decades due to its diverse applications across various fields. Unlike conventional approaches that deal with real‐valued samples, 1‐bit matrix completion is concerned with binary observations. While prior research has predominantly focused on the estimation error of proposed estimators, our study shifts attention to the prediction error. This paper offers theoretical analysis regarding the prediction errors of two previous works utilizing the logistic regression model: one employing a max‐norm constrained minimization and the other employing nuclear‐norm penalization. Significantly, our findings demonstrate that the latter achieves the minimax‐optimal rate without the need for an additional logarithmic term. These novel results contribute to a deeper understanding of 1‐bit matrix completion by shedding light on the predictive performance of specific methodologies.
Generalisation bounds for kernel PCA through PAC‐Bayes learning
Authors: Haddouche Maxime , Guedj Benjamin , Shawe‐Taylor John 
Published: September 2024

AbstractPrincipal component analysis(PCA) is a popular method for dimension reduction and has attracted an unfailing interest for decades. More recently, kernel PCA (KPCA) has emerged as an extension of PCA, but despite its use in practice, a sound theoretical understanding of KPCA is missing. We contribute several empirical generalisation bounds on the efficiency of KPCA, involving the empirical eigenvalues of the kernel Gram matrix. Our bounds are derived through the use of probably approximately correct (PAC)‐Bayes theory and highlight the importance of some desirable properties of datasets, expressed as variance‐typed terms, to attain fast rates, achievable for a wide class of kernels.
Examination of Salmonella Prevalence in Pigs Through Rye‐Based Feeding and Coarser Feed Structure Under Field Conditions
Authors: Lindhaus Jens Gerrit , Reckels Bernd , Chuppava Bussarakam , Grone Richard , Visscher Christian , Hartung Clara Berenike 
Published: September 2024

ABSTRACTIntroductionSalmonellosis is the second most commonly occurring bacterial zoonosis in Germany. Rye in pig feeding offers new possibilities for addressing that issue due to its high content of non‐starch polysaccharides (NSPs). These are fermented in the intestinal tract to specific fermentation products, which seem to have bacteriolytic effects against Salmonella. A coarse feed structure can display synergistic effects.MethodsSeven conventional pig fattening farms increased the rye content (40%–70%) while limiting the amount of fine particles (maximum of 20% ≤0.25 mm). Samples from pigs were tested for Salmonella antibodies and compared with samples from 167 farms without any changes to the feed.ResultsRye‐based diets had a significant (p < 0.05) impact on Salmonella antibody (percentage optical density [OD%]) detection. In this study, it became apparent that significantly fewer positive OD% values could be detected due to the increase in rye compared to farms that did not change the feed (Farm 6 P0: 35.45 ± 36.18; P1: 15.48 ± 16.98; P2: 9.36 ± 8.17). An elimination of Salmonella could not be achieved, but especially farms with high antibody counts were able to strongly reduce those in both phases consecutively (Farm 5 P0: 35.17 ± 35.53; P1: 18.56a ± 20.96; P2: 13.38a ± 18.99). That was different on farms without adapted feeding, where an increase in Salmonella antibodies was observed (P0: 17.38 ± 22.21; P1: 20.12 ± 25.39; P2: 18.12 ± 25.44).ConclusionBy increasing the proportion of rye and limiting the proportion of fine particles in the feed, Salmonella antibodies (OD% values) in meat juice and blood can be significantly reduced, especially on farms with an initially high incidence of Salmonella. If that is implemented in feeding across the board on farms, an improvement in food safety and a decreased risk of zoonosis can be expected.