bluuebunny/crossref_metadata_2025_split huggingface dataset:
Microwave‐Assisted Synthesis of Novel Co(II), Cu(II), and Zn(II) Complexes Derived From Fluorinated Thiazole Schiff Bases: Antimicrobial, Anticancer, and Molecular Docking Study
Authors: Bhosale Dnyandev , Chopade Arun , Nimal Snehal , Gacche Rajesh , Raut Dattatraya , Chaudhari Praffula , Puri Gulab , Khobragade Rahul , Narale Ashwini , Hublikar Mahesh , Pisal Parshuram , Lawand Anjana 
Published: November 2024

ABSTRACTSix new complexes of Co(II), Cu(II), and Zn(II) metal were synthesized by microwave‐assisted green method from fluorinated Schiff base ligands. The Schiff base ligands were prepared by the condensation reaction of 4‐(p‐fluorophenyl)‐5‐methyl‐2‐aminothiazole with 4‐methylsalicyldehyde (L1H) and 4‐methoxysalicyldehyde (L2H). FT‐IR, NMR, and HR‐MS spectral data confirm the tridentate nature of ligands in Co(II) and Zn(II) complexes and the bidentate nature in Cu(II) complexes. The elemental analysis and TGA study revealed 1:2 (M:L) stoichiometry in all synthesized metal complexes. Electronic absorption, magnetic susceptibility, and XRD study express the geometry and crystal systems of complexes. The antimicrobial and anticancer analysis of the synthesized ligands and their complexes were achieved. The results indicate that Co(II) and Cu(II) complexes of L2H have greater potency against Gram‐positive bacteria. In contrast, Co(II) and Cu(II) complexes of L1H exhibited greater zone of inhibition against Gram‐negative and fungal strains. Furthermore, among the synthesized ligands and their complexes, the Zn(II) complex of the L2H ligand was found to exhibit potent anticancer activity with IC50 values of 16.18 and 11.10 μM against MDA‐MB‐231 and A549 cell lines compared to other complexes and parent ligands. Molecular docking study against EGFR (PDB: 5XGM) shows strong binding interactions and good binding free energy to support the experimental results.
Synthesis and characterization of anionic polymerization initiator from functional styrene derivative
Authors: Babula Piotr , Kozak Radosław , Schab‐Balcerzak Ewa 
Published: November 2024

AbstractUnderstanding the mechanisms underlying living anionic polymerization is essential for advancing efficient and sustainable elastomer production technologies. This study investigates the introduction of a functional styrene derivative at the initiation of a styrene‐butadiene polymer chain with high efficiency. Butyllithium is the most widely used initiator in anionic polymerization due to its high reactivity, availability, and ability to provide precise control over polymer molecular weight and structure. Modified initiators, formed from N‐(dimethyl(vinylbenzyl)silyl)‐N,N‐bis(trimethylsilyl)amine and isomers of butyllithium (n‐, sec‐, and tert‐), increase initiation efficiency and reduce oligomer formation. The developed procedure demonstrates the effective use of a functional styrene derivative as an alpha chain‐end modifier. The formation of a unimeric structure improves from 15.6% to 88.3%, significantly increasing the yield of alpha functionalization. Direct transfer of the functional styrene derivative to the alpha position expands the potential for functionalization in anionic polymerization. The activity of the preinitiators is evaluated in styrene‐butadiene anionic copolymerization. The functional initiators are terminated and characterized by high‐performance liquid chromatography coupled with gel permeation chromatography to assess the degree of polymerization. This method enables quantitative analysis of oligomer formation. The synthesized copolymers are further characterized by their molar masses, microstructure, Mooney viscosity, and glass transition temperature.
Deterioration of Polypropylene Random Copolymer Formulations Based on Phenolic Antioxidants and Non‐Phenolic Stabilizers at Elevated Temperatures in Hot Air
Authors: Peham Lukas , Wallner Gernot M. , Nitsche David 
Published: November 2024

ABSTRACTThis article deals with the hot air aging behavior of polypropylene random copolymers additivated with phenolic antioxidants, hindered amine light stabilizers (HALS) and thiosynergists in a wide temperature range from 65°C to 135°C. Various stabilizer mixtures and their interactions were evaluated. To avoid diffusion‐limited oxidation effects, 100 μm thick specimens were prepared from injection molded sheets and examined by Fourier‐transform infrared spectroscopy in transmission mode and tensile testing. In addition to ultimate strain‐at‐break, the aging indicators phenol index (PI), nitroxide index (NI), and ester index (EI) were deduced. Monitoring the phenolic functional groups revealed the formation of splitting‐off derivatives which remained beyond full embrittlement of the micro‐specimen at a relative content of app. 20%. Oxidation of the phenolic stabilizer Irganox 1330 resulted in shifts of the IR‐band associated with single‐ and dual‐oxidized products. Gaussian fitting of the triple peak confirmed the formation of these splitting‐off derivatives. The combination of phenolic antioxidants with HALS led to a significantly faster decay of the phenolic groups. However, this effect was reduced by the addition of thiosynergists. Interestingly, a slower decrease of the phenol, nitroxide and ester indexes representing phenolic‐, amine‐ and thio‐stabilizers, respectively, was ascertained for the PP‐R formulation with the ternary additive mixture leading to higher endurance times by a factor of up to 2.5. The analytical aging indicators did not reflect the time‐to‐embrittlement, especially for complex additive formulations containing HALS.
Rural Transformation, Water Scarcity and Policy Responses in China
Authors: Wang Jinxia , Guo Zhiyi , Wang Dong , Huang Kaixing , Wang Zhuanlin , Mei Ruoying , Li Rujuan , Huang Jikun , Zhang Chenhui , Chen Chunlai 
Published: November 2024

ABSTRACTThis study examines the complex interplay between rural transformation and water scarcity in China, focussing on how shifts towards high‐value agriculture and non‐farm employment affect water resources. Utilising data spanning 2 decades, it evaluates the impact of economic activities on water scarcity through the lens of the Environmental Kuznets Curve. The analysis reveals regional variations in water usage and scarcity, highlighting the need for tailored water management strategies that incorporate both supply and demand aspects. By aligning rural economic development with sustainable water use, the paper offers insights into policy adjustments crucial for balancing growth with environmental stewardship, particularly in light of Chinaʼs green economy transition and its implications for similar developing regions.
Is Chinaʼs Capital Liberalisation Policy Effective?
Authors: Wang Lirong , Zhou Jinnan , Hueng C. James 
Published: November 2024

ABSTRACTChinaʼs comprehensive administrative system for capital controls and ongoing capital liberalisation are unique features compared with other emerging economies. These allow us to investigate the effects of Chinaʼs capital controls and subsequent liberalisation policies, along with various global‐push and domestic‐pull factors, on its gross capital flows in a time series analysis. We collect various sources of information on Chinaʼs capital control policies from 2005 to 2022 and construct quarterly time series of Chinaʼs capital control indices for different types of gross flows. Using the bounds tests of cointegration and a conditional error‐correction model, we show that Chinaʼs capital account liberalisation successfully encourages foreignersʼ investments aiming at production to maintain a long‐term relationship with China, as well as their short‐term financial investments to China. On the other hand, Chinese residents increase their long‐term investments overseas during the liberalisation process. However, their portfolio investments abroad are not responsive to the relaxation of capital controls.
Teaching human anatomy before during and after COVID‐19 pandemic: A longitudinal study on kinesiology students' performance, cognitive load, and congruent embodied learning
Authors: Chaker Rawad , Gallot Mélanie , Madi Ayodélé , Collet Christian , Hoyek Nady 
Published: November 2024

AbstractDuring the COVID‐19 pandemic, anatomy educators have demonstrated their ability to respond to face‐to‐face (F2F) teaching restrictions and offer emergency remote teaching and learning (ERTL) approach. Another educational model that was intensified during COVID‐19 was blended learning (BL) which is a combination of F2F and online settings. Studies on the effects of the methods employed during COVID‐19 pandemic on anatomy students' learning outcomes are sparse and show slightly similar but nuanced results. There is poor evidence on how the transition to online‐only or to BL in response to COVID‐19 impacted anatomy students' performance, cognitive load, and embodied learning. The main aim of this longitudinal study is to evaluate the effectiveness of ERTL and BL on anatomy performance in kinesiology students. The second aim of this study was to better understand students' performance in terms of cognitive load embodied learning, and the use of 3D digital tools. The results indicate no significant differences between F2F and ERTL students’ performance. However, the results yielded significantly better performance for the BL students in comparison with both F2F (p = 0.001) and ERTL cohort (p = 0.001). The rapid transition to online‐only teaching and learning neither enhanced nor deteriorated students' performance. The BL modality appears to be the most efficient. Learning outcomes were discussed in relation to cognitive load, embodied learning, and the use of 3D digital tools.
Aggregation‐Induced Emission Properties of Atypical Aliphatic‐Chain‐Linked Siloxanes‐Containing Phosphonate Esters
Authors: Yang Zhihui , Yang Jinyun , Shi Haobo , Sun Fanghao , Zhang Yue , Wang Yuanrong , Qin Jiaqi , Li Peizhou , Lu Haifeng 
Published: November 2024

AbstractPhosphonate compounds have been proposed as atypical chromophores, but their luminescence properties, especially in combination with flexible aliphatic chains, remain underexplored. In this study, we have synthesized a series of novel siloxane‐containing phosphonate esters as organofluorophores through a catalyst‐free, one‐pot Kabachnik–Fields (K–F) reaction. This reaction involved acetone, cyclohexanone, or cyclopentanone, with siloxanes containing aliphatic amines and phosphonate diesters as reactants. The resulting compounds exhibit blue fluorescence. Fluorescence tests confirmed that all synthesized materials display aggregation‐induced emission (AIE) phenomena, with some also exhibiting upconversion. Notably, the luminescence intensity can be modulated by altering the steric hindrance near the phosphonate ester group. Mechanistic studies indicate that the strong blue photoluminescence observed in the aggregated state results from restricted intramolecular motion (RIM) and spatial electronic delocalization. These findings demonstrate that even simple phosphonates, when combined with flexible aliphatic chains, can exhibit significant AIE luminescence properties.
Dual State Emissive AIE Active Carbon Dots with Matrix‐Free Room Temperature Phosphorescence
Authors: Kumar S. , Pattanayak P. , Ray B. , Purkayastha P. 
Published: November 2024

AbstractLong‐lived triplet excitons are kingmakers to generate high efficiency optoelectronic OLEDs. However, it is difficult to produce matrix‐free solid state emissive room temperature phosphorescence (RTP) from carbon dots (CDs). In the present work, limited rotation of the two naphthol rings in (R)‐1,1‐Bi‐2‐naphthol (R‐Binol) has been used to synthesize CDs aimed to obtain emission in the aggregated and RTP states. The R‐Binol‐derived CDs were prepared using an easy one‐pot solvothermal treatment of the precursor. In‐depth structural analysis reveals the presence of twisted naphthalene moiety that resists π−π stacking to make it dual emissive. These CDs are prone to accumulate producing spherical aggregates with 32‐fold enhanced emission in binary THF‐water mixture. Nevertheless, for the first time, we harvested triplet excitons from matrix free CDs generating 23 % PLQY. A phosphor converted light emitting diode (pc‐LED) was also fabricated with the CDs.
Anwendbarkeit einer zugspezifischen Zusatzdämpfung auf neue Wagengenerationen
Authors: Loidl Samuel , Bettinelli Lara , Fink Josef 
Published: November 2024

AbstractDie durch Zugüberfahrten verursachten Schwingungen und die Einhaltung der zugehörigen Grenzwerte stellen in der dynamischen Beurteilung von Eisenbahnbrücken oftmals ein maßgebendes Nachweiskriterium dar. Dabei sind rechnerische Simulationen vielfach von einer deutlichen Diskrepanz zu Messungen geprägt, welche mitunter auf zu einfache Modellbildungen und die damit einhergehenden notwendigen konservativen Annahmen zurückzuführen ist. Mittels komplexerer Mehrkörpermodelle des Zugs kann der meist günstig wirkende Mechanismus der Fahrzeug‐Brücken‐Interaktion berücksichtigt werden. Dieser Mechanismus kann auch durch einen zusätzlich in Rechnung gestellten Dämpfungsanteil des Tragwerks (Zusatzdämpfung) in einem einfacheren mechanischen Modell – die Abbildung des Zugs mittels bewegter statischer Einzellasten – approximiert werden, ohne die Modellkomplexität zu erhöhen. Durch eine neu einzuführende Generation des Railjets stellt sich die Frage nach der Anwendbarkeit der aktuell in Österreich gültigen Zusatzdämpfung für den Railjet, welche zugspezifisch für die aktuell verkehrende Railjet‐Generation abgeleitet wurde. Im vorliegenden Aufsatz wird die zugehörige Untersuchung vorgestellt, die durch dynamische Analysen von Überfahrtssimulationen die Beantwortung der Fragestellung erlaubt: Kann die derzeit gültige Zusatzdämpfung für eine neue Zuggeneration angewendet werden?
Hydridoborate‐Based Solid‐State Electrolytes for Sodium Metal Batteries
Authors: Lu Zhiwei , Kang Jia‐Xin , Qiu Pengtao , Chen Xuenian 
Published: November 2024

AbstractHydridoborates have emerged as promising candidates for solid‐state electrolytes in sodium metal batteries owing to their high ionic conductivity, thermal/electrochemical stability, good mechanical properties, and good interface compatible with electrodes. This review provides a comprehensive analysis of the recent advancements in the development and application of Na‐hydridoborate‐based solid‐state electrolytes. We explore the structural properties and electrochemical behaviors of various Na‐hydridoborates, including NaBH4, NaB3H8, closo‐borates, nido‐borates, etc. Additionally, we discuss the approaches for the synthesis of hydridoborate compounds with inexpensive raw chemicals and low toxicity. This review will inspire further efforts to develop fast Na‐ion conducting hydridoborate materials with favorable interfacial compatibility, to promote their applications in high‐performance all‐solid‐state sodium metal batteries.
A sustainable approach for xylitol production from pistachio shell using Candida tropicalis
Authors: Hazal Filiz , Özbek Hatice Neval , Yılmaztekin Murat , Göğüş Fahrettin , Koçak Yanık Derya 
Published: November 2024

AbstractThis study presents a novel approach for producing xylitol from xylose‐rich hydrolysate derived from pistachio shells. Initially, xylose‐rich hydrolysate was obtained through microwave‐assisted high‐pressure CO2/H2O hydrolysis, achieving a maximum xylose concentration of 14.58 ± 0.11 g L−1 and yield of 62.01 ± 0.92% (w w−1). Prior to the bioconversion process, the hydrolysate was detoxified using activated charcoal to remove inhibitory compounds such as hydroxymethylfurfural (HMF) and furfural. Xylitol production from the detoxified hydrolysate was carried out biotechnologically using the yeast Candida tropicalis. A Box–Behnken design was implemented to investigate the effect of temperature, pH, and aeration rate on xylitol yield during bioconversion in bioreactor. The highest xylitol yield of 0.94 g g−1 was recorded at 72 h under optimized conditions of 34.5 °C, pH 4.5, and 1.2 vvm. Recovery and purification of xylitol from the fermentation medium was achieved using ethanol as an antisolvent. Xylitol was recovered with a yield of 68.4% from culture medium by crystallization. Based on the findings of this study, a sustainable and environmentally friendly process can be proposed for recovering and purifying xylitol from pistachio shell hydrolysate.
Performance and kinetic analysis of biogas production from co‐digestion of landfill leachate with pineapple peel in batch experiments
Authors: Jaroenpoj Souwalak , Yu Qiming J. , Ness James , Abdulgader Mohamed 
Published: November 2024

AbstractThis study examines the co‐digestion of landfill leachate (LFL) with pineapple peel, focusing on biogas production. The study was conducted with a lab‐scale batch anaerobic digester using a 30 L working volume batch completely mixed reactor at 35 °C to investigate the monodigestion of leachate and of pineapple peel and their co‐digestion with three different mixing ratios. The results of all of the experiments in the study were fitted with first‐order kinetic models to compare the behavior of different batches through rate constants (k). As expected, the anaerobic digestion of 25 L leachate achieved a biogas yield of 38 L kg−1 volatile solids (VS)consumed and a VS removal efficiency of 30%, both markedly lower than those achieved with 3 kg VS pineapple peel per m3 in 25 L tap water (513 L kg−1 VSconsumed biogas yield and 80% VS removal efficiency). The leachate, which had a fixed volume of 25 L, was mixed with 1, 2, and 3 kg VS pineapple peel m−3. The results showed that co‐digestion with 2 kg VS pineapple peel m−3 achieved the highest biogas yield of 431 L kg−1 VSconsumed and approximately 80% VS and 90% chemical oxygen demand (COD) removal efficiency with stable conditions in the reactor. The first‐order kinetics equation was selected to characterize the anaerobic digestion and was able to describe and compare the anaerobic digestion processes of the experiments. The rate constants (k) were 0.25, 0.22, and 0.18 day−1 for co‐digestion with 1, 2, and 3 kg VS pineapple peel m−3.
Disrupted White Matter Topology Organization in Preschool Children with Tetralogy of Fallot
Authors: Liu Yuting , Hu Liang , Zhu Meijiao , Zhong Jingjing , Fu Mingcui , Yang Mingwen , Cheng Shuting , Wang Ying , Mo Xuming , Yang Ming 
Published: November 2024

AbstractBackground: Cognitive impairment is the most common long‐term complication in children with congenital heart disease (CHD) and is closely related to the brain network. However, little is known about the impact of CHD on brain network organization. This study aims to investigate brain structural network properties that may underpin cognitive deficits observed in children with Tetralogy of Fallot (TOF).Methods: In this prospective study, 29 preschool‐aged children diagnosed with TOF and 19 without CHD (non‐CHD) were enrolled. Participants underwent diffusion tensor imaging (DTI) scans alongside cognitive assessment using the Chinese version of the Wechsler Preschool and Primary Scale of Intelligence—fourth edition (WPPSI‐IV). We constructed a brain structural network based on DTI and applied graph analysis methodology to investigate alterations in diverse network topological properties in TOF compared with non‐CHD. Additionally, we explored the correlation between brain network topology and cognitive performance in TOF.Results: Although both TOF and non‐CHD exhibited small‐world characteristics in their brain networks, children with TOF significantly demonstrated increased characteristic path length and decreased clustering coefficient, global efficiency, and local efficiency compared with non‐CHD (p < 0.05). Regionally, reduced nodal betweenness and degree were found in the left cingulate gyrus, and nodal efficiency was decreased in the right precentral gyrus and cingulate gyrus, left inferior frontal gyrus (triangular part), and insula (p < 0.05). Furthermore, a positive correlation was identified between local efficiency and cognitive performance (p < 0.05).Conclusion: This study elucidates a disrupted brain structural network characterized by impaired integration and segregation in preschool TOF, correlating with cognitive performance. These findings indicated that the brain structural network may be a promising imaging biomarker and potential target for neurobehavioral interventions aimed at improving brain development and preventing lasting impairments across the lifetime.
Clustering Electrophysiological Predisposition to Binge Drinking: An Unsupervised Machine Learning Analysis
Authors: Uceta Marcos , Cerro‐León Alberto del , Shpakivska‐Bilán Danylyna , García‐Moreno Luis M. , Maestú Fernando , Antón‐Toro Luis Fernando 
Published: November 2024

ABSTRACTBackgroundThe demand for fresh strategies to analyze intricate multidimensional data in neuroscience is increasingly evident. One of the most complex events during our neurodevelopment is adolescence, where our nervous system suffers constant changes, not only in neuroanatomical traits but also in neurophysiological components. One of the most impactful factors we deal with during this time is our environment, especially when encountering external factors such as social behaviors or substance consumption. Binge drinking (BD) has emerged as an extended pattern of alcohol consumption in teenagers, not only affecting their future lifestyle but also changing their neurodevelopment. Recent studies have changed their scope into finding predisposition factors that may lead adolescents into this kind of patterns of consumption.MethodsIn this article, using unsupervised machine learning (UML) algorithms, we analyze the relationship between electrophysiological activity of healthy teenagers and the levels of consumption they had 2 years later. We used hierarchical agglomerative UML techniques based on Ward's minimum variance criterion to clusterize relations between power spectrum and functional connectivity and alcohol consumption, based on similarity in their correlations, in frequency bands from theta to gamma.ResultsWe found that all frequency bands studied had a pattern of clusterization based on anatomical regions of interest related to neurodevelopment and cognitive and behavioral aspects of addiction, highlighting the dorsolateral and medial prefrontal, the sensorimotor, the medial posterior, and the occipital cortices. All these patterns, of great cohesion and coherence, showed an abnormal electrophysiological activity, representing a dysregulation in the development of core resting‐state networks. The clusters found maintained not only plausibility in nature but also robustness, making this a great example of the usage of UML in the analysis of electrophysiological activity—a new perspective into analysis that, while contributing to classical statistics, can clarify new characteristics of the variables of interest.