bluuebunny/crossref_metadata_2025_split huggingface dataset:
Multi‐Responsive COF‐Enhanced Smart Actuator
Authors: Cheng Gong , Sui Chao , Hao Weizhe , Zang Zifu , Zhao Yushun , Zhou Yichen , Zhao Chenxi , Wen Lei , Li Junjiao , Sang Yuna , He Xiaodong , Wang Chao 
Published: January 2025

AbstractSmart composite materials are attracting increasing attention for their novel stimulus‐response characteristics. Among them, Cellulose nanofibers (CNF)‐based smart composites are widely used due to their excellent properties. For enhancing the response rate and stability of CNF‐based smart composite actuator, a novel covalent organic framework (COF) nanoparticle is synthesized via molecular design to enhance CNF‐based multi‐responsive composite materials. COF‐TASA, characterized by a high specific surface area, exhibits the highest photothermal conversion efficiency of 79.9% for COF materials to date. A multi‐stimuli responsive actuator is prepared through the compounding of COF‐TASA, CNF, and polyvinylidene fluoride (PVDF). The smart membrane demonstrates a reversible ability to change shape when exposed to near‐infrared (NIR) light and humidity. This is caused by the asymmetric deformation of the COC and PVDF layers. Finally, the mechanism for the enhancement of the smart response rate of the system by COF‐TASA is successfully elucidated through experiments and molecular dynamics (MD) simulations, indicating that the introduction of COF forms ordered channels in the COC, greatly enhancing the specific surface area and the transport speed of water molecules. This COF‐enhanced smart actuator is anticipated to provide important solutions for smart control, smart detection, and environmental energy collection.
Regulating Contact Electrification and Charge Retention Capability With Metal–Organic Frameworks in Triboelectric Nanogenerator for Self‐Powered Sewage Treatment
Authors: Sun Xiao , Dong Liting , Liu Jianhua , Hou Tianyuan , Li Yanan , Wang Lei , Xu Xuechen , Chen Shougang 
Published: January 2025

AbstractThe harvesting of ocean wind energy for triboelectric nanogenerators (TENGs) is greatly influenced by the contact electrification (CE) capability, charge retention characteristics, and harsh marine environment. In this work, four highly water‐stable metal–organic frameworks, including MIL‐101(Cr), UiO‐66, ZIF‐8, and MOF‐303, are doped into PVA/Ta layers to modulate their CE capability, charge retention, and resistance to harsh marine environments. The CE capability is compared at multiple scales including electronic, atomic, and molecular levels using DFT calculation. The combined effect of the pyrazole ring and ─COO─ group contributes to the highest tribopositivity of PVA/Ta/MOF‐303. Besides, the reduced HOMO–LUMO gap and the increased HOMO level make it easier for electrons in PVA/Ta/MOF‐303 to transfer. Meanwhile, MOF‐303 with high charge capture capability located in deep layers can serve as charge traps to reduce charge dissipation rate. Hence, the charge density of PVA/Ta/MOF‐303‐based TENG (PTM‐TENG) at 90% RH reaches to 361.43 µC m−2. Hydrogen bonding, coordination effects, and electrostatic interactions endow PVA/Ta/MOF‐303 with excellent mechanical, anti‐swelling, and anti‐aging properties. Finally, PTM‐TENG is assembled into a self‐powered sewage treatment system, and the generation of ·OH and ·O2− enables PTM‐TENG to realize a high water sterilization rate (99.99%) and efficient organic pollutant degradation (>95%) within 20 min.
Tuning C─N Coupling Mode by Cu─In Dual Metal Sites in Covalent Organic Framework for Enhanced Urea Electrosynthesis
Authors: Wang Nan , Zhang Yuan , Shao Chunfeng , Yuan Lei , Sun Mingming , Wang Huiyong , Zhang Suojiang , Wang Jianji 
Published: January 2025

AbstractElectrochemical conversion of CO2 and NO3− to high value‐added urea is a win–win strategy for both resources and the environment. However, the yield rate and selectivity of urea are still low. In this work, Cu and In metals are grafted into the interlayers of an imine‐linked covalent organic framework (COF) to form stable Cu─In dual metal sites by strong coordination of hydroxyl O and imine N atoms in the framework. It is found that the optimal CuIn1.07‐COF electrocatalyst exhibits an impressive urea yield rate of 2924.4 µg h−1 mg−1 and high Faradaic efficiency (FE) of 54.7% in H‐cell, which surpasses that of most previously reported catalysts for urea electrosynthesis. In situ spectroscopy and theoretical calculations reveal that due to the stronger electronic interaction between Cu and In, *NH2 intermediate is generated on the In site from NO3− reduction, and then couples with *CO2 on neighbor Cu site to produce *CO2NH2 with a lower energy barrier, which effectively promotes the electrochemical co‐reduction of CO2 and NO3− to urea. The work provides new clues for understanding the structure‐performance relationship in urea electrosynthesis.
From Microscale to Road Scale: Bridging the Gaps of Predictive Aluminum Corrosion Using SECM
Authors: Singh Vikram , Morel Alban , Gallant Danick , Mauzeroll Janine 
Published: January 2025

AbstractAluminum (Al) corrosion starts off at the micron or even submicron scale and if it is coating protected, it occurs at the metal‐coating interface. These corrosion events are by and large studied using bulk corrosion measurements making the understanding incomplete due to its micrometric scale occurrence. This gap is therefore targeted in current study by using a combination of SECM mapping modes together with a new strategy of employing redox‐mediator mixtures. These combinations allow the exploration of both Al surface topographic features as well as corrosion hotspots. Nine differently finished AAxxxx surfaces (namely, AA5083‐rolled‐Zr, AA6061‐rolled‐Zr, AA6061‐grinded‐Zr, AA6111‐rolled‐Zr, AA6111‐grinded‐Zr, AA7075‐grinded‐Zr, AA7075‐rolled‐Zr, AA7075‐rolled‐ZnPh with sealer and AA7075‐rolled‐ZnPh without sealer) are investigated by SECM in their as‐received state for corrosion and mapped on a 1 mm2 scale with high precision. The most interesting outcome is that typically grinded samples show more cathodic current and a higher number of hotspots. The resultant SECM maps are then quantified to extract corrosion hotspots and correlate them with both bulk corrosion outcomes and the real‐life corrosion road tests performed for 2 years. These investigations present a strong corrosion predictive strategy, which makes this study comprehensive and highly applicable to sectors like automobiles and aerospace) employing Al surfaces.
Polyurethane‐Based Shape Memory Compression Stockings with Antimicrobial and Pressure Regulating Properties for the Relief of Chronic Venous Disease
Authors: Gong Dakai , Wang Ziang , Jiang Yuanzhang , Han Yanting , Xu Yiming , Wu Pengfei , Tan Lin 
Published: January 2025

AbstractChronic venous disease (CVD) causes a heavy social and economic burden, which not only seriously diminishes the quality of life but also increases healthcare costs for patients. Herein, a compression stocking fabricated with polyurethane fibers is developed, which exhibits excellent antimicrobial and shape memory properties. In particular, the introduction of 1,2‐hydroxyethylpiperazine (HEP) dramatically shortens the relaxation time and effectively promotes the shape memory properties of polyurethane. Furthermore, the wet spinning and knitting methods are applied to obtain compression stockings, whose interfacial pressure ranges from 8 to 35 mmHg and can be regulated via the initial tension and trigger temperatures as needed. In addition, the compression stockings demonstrate excellent antimicrobial properties, achieving an inactivation rate of 99.99% against S. aureus and E. coli, while superior cytocompatibility and negligible skin irritation guarantee its biomedical applications. Overall, antimicrobial shape memory compression stockings can effectively manage and solve the two major problems of pressure regulation and bacterial infection for CVD patients, which is highly important for the care of this public health disease.
Direct‐Write Printing of Multicolor Electroluminescent Films for Stretchable Display
Authors: Yu Tianhao , Cho Seungse , Lee Junsang , Wang Ziheng , Lee Chi Hwan 
Published: January 2025

AbstractElectroluminescent (EL) films are promising light sources for flexible displays, wearable electronics, and soft machines. Traditional fabrication methods like thermal lamination, transfer printing, and screen printing are often labor‐intensive. To address these challenges, a mask‐free, fully printable alternating‐current electroluminescent (PACE) film using a direct‐write printing strategy is presented. This method simplifies fabrication, enhances design flexibility, and allows precise, layer‐by‐layer deposition without alignment issues. The multicolor PACE film, available in blue, green, and orange, reaches a thickness of ≈150 µm and achieves 180 cd m⁻2 at 6 V µm⁻¹. It stretches up to 180% and withstands 10 000 bending/stretching cycles without significant luminance loss. Compared to conventional EL devices, the approach offers similar brightness with thinner films, avoids UV‐curable elastomers, and reduces equipment needs. This innovation broadens design possibilities, especially for stretchable displays, making it ideal for rapid prototyping with computer‐aided design (CAD) tools.
Hydrazide Molecular Configuration Induced Phase Regulation and Defect Passivation Enable Efficient Quasi‐2D Blue Perovskite Light‐Emitting Diodes
Authors: Fang Shuyan , Shen Chao , Tan Zhi , Su Chenhui , Luo Junquan , Wu Siqi , Qing Jian , Luo Yunhan , Yang Renqiang , Zhang Jibin , Hu Ziyang , Liao Jihai , Hou Lintao 
Published: January 2025

AbstractPerovskite light‐emitting diodes (PeLEDs) have demonstrated significant potential in the display sector, attributed to their wide color gamut, narrow emission spectra, and cost‐effectiveness. Despite the rapid advancements in red and green PeLEDs, the attainment of high brightness and high external quantum efficiency (EQE) for blue PeLEDs remains a considerable challenge, which substantially limits their practical applications in white lighting and optical communication. In this study, a method for the passivation of blue quasi‐2D perovskites using hydrazide derivatives with varying alkyl chain lengths is presented. Density functional theory analysis indicates that hydrazide derivatives can effectively adsorb onto halogen vacancies, thereby reducing charge trapping states associated with undercoordinated Pb2+. Experimental results demonstrate that the optimal hydrazide derivative can better eliminate non‐radiative recombination loss, suppress ions migration, and regulate phase distribution, facilitating smoother energy transfer. Through this approach, stable sky‐blue PeLEDs are achieved with an EQE of 14.5% and a maximum luminance of 2659 cd m−2. This work offers a systematic understanding of hydrazide additive design, which will further enhance the performance and stability of blue quasi‐2D PeLEDs.
Regulation of Perovskite Nucleation and Orientated Crystal Growth via In Situ Self‐Crosslinking Polymer for Bright Perovskite Light‐Emitting Diodes
Authors: Cheng Suwen , Zhang Yupeng , Chu Ying , Wang Yanchen , Xie Yuan , Yu Chen , Dong Jingjin , Cao Jiupeng , Wang Fangfang , Huang Wei , Wang Aifei , Qin Tianshi 
Published: January 2025

AbstractHybrid halide perovskite films are becoming increasingly efficient in various applications, but several challenges still remain to be overcome. In this study, thermally polymerized additive N‐vinyl‐2‐pyrrolidone (NVP) is utilized to tune the crystallization and orientation of mixed organo‐metal perovskite films. Using in situ spectroscopy, it is demonstrated that NVP plays a crucial role in prolonging the crystallization process and separating the nucleation and crystal growth by forming an NVP‐precursor intermediate phase. Additionally, the intermediate adduct effectively passivates defects, reduces nonradiative recombination, improves crystallinity, and enhances the transmission of charge carriers. NVP‐containing perovskite light‐emitting diodes (PeLEDs) are subsequently developed that exhibit stable and bright green luminance exceeding 240 000 cd m−2. These findings provide valuable insights into manipulating the crystallization behavior of mixed organo‐metal perovskite films.
Photo‐Induced 3‐Alkylation of Coumarins with Alkyl Halides
Authors: Yan Cheng , Zhang Wen‐Jiao , Qiu Liu‐Yan , Wang Rui , Cao Weiguo , Zhang Zhikun , Tang Xiao‐Jun 
Published: January 2025

AbstractA method for the direct 3‐alkylation of coumarins utilizing alkyl halides as the alkylating agents has been achieved. This versatile reaction is compatible with a range of alkyl halides, including activated alkyl bromides, perfluoroalkyl iodides, and unactivated alkyl iodides. We propose a mechanism involving photoinduced electron transfer between alkyl halides and coumarins in the first singlet excited (S1) state, which generates alkyl radicals essential for the 3‐alkylation process.
Molecular Dynamics Study of Fretting Wear Characteristics of Silicon Nitride Bearings
Authors: Zheng Qi , Liu Jian , Yang Hui , Chen Tao , Hu Weiwen , Wu Nanxing 
Published: January 2025

AbstractTo study fretting wear characteristics of silicon nitride bearing. Atomic model of surface fretting wear of silicon nitride bearing is constructed by molecular dynamics method and deep learning self‐fitting potential function. First principles are used to match silicon nitride crystal parameters; Dynamic analysis of fretting wear process of nanoscale silicon nitride bearing is realized. Experiment shows that friction force in the Z direction is a maximum of 3.5 nN. The output potential energy 2.31 × 107 eV is 1.63 times that of the y‐axis, which is main factor causing the fretting wear. The force perpendicular to the direction of roller and the collar of silicon nitride bearings should be avoided in the process of using or transporting the bearings. Silicon nitride bearing fretting wear process is non‐transient elastic stress‐strain, along the rolling plane extension, in the roller rolling direction to form a sharp angle shape high strain linear region. Bearing Z direction damage degree increased; Silicon nitride bearing surface layer has 22.47% of the N─Si bond fracture. The study of the fretting wear characteristics of silicon nitride ceramic bearings has a reference value for reducing the surface friction of silicon nitride bearings and improving the life of silicon nitride bearings.
Evenly Distributed Microporous Structure and E7 Peptide Functionalization Synergistically Accelerate Osteogenesis and Angiogenesis in Engineered Periosteum
Authors: Li Qihong , Li Chen , Yan Jun , Zhang Chunli , Jiang Yu , Hu Xiantong , Han Liwei , Li Li , Wang Peng , Zhao Lingzhou , Zhao Yantao 
Published: January 2025

AbstractRepairing large bone defects remains a significant clinical challenge. Stem cell is of great importance in bone regeneration, and periosteum is rich in periosteal stem cell, which has a great influence on repairing bone defects. Bioengineered periosteum with excellent biocompatibility and stem cell homing capabilities to promote bone regeneration is of great clinical significance. The E7 peptide (EPLQLKM), which exhibits a specific affinity for mesenchymal stem cells (MSCs), is beneficial for modulating cellular functions. In this study, a unique microporous structured carboxymethyl chitosan/sodium alginate membrane with a proper mass ratio is developed by the addition of Poloxam 407 （P407）, which is then functionalized with the E7 affinitive peptide. This membrane, characterized by its microporous structure and E7 peptide functionalization (CSSA/P/E), not only demonstrated favorable mechanical properties, enhanced hydrophilicity, satisfactory biodegradation profile, and excellent biocompatibility, but also synergistically enhanced MSCs recruitment. It is found to promote the proliferation, spreading, and osteogenic differentiation of MSCs in vitro and to accelerate early periosteal regeneration, bone matrix deposition, and vascularization in vivo, leading to effective regeneration of critical‐sized bone defects. Overall, this study presents a robust, cell and growth factor‐free strategy for bioengineering periosteum, offering a potential solution for the challenging large size bone defects.
Leveraging Network Target Theory for Efficient Prediction of Drug‐Disease Interactions: A Transfer Learning Approach
Authors: Liu Qingyuan , Chen Zizhen , Wang Boyang , Pan Boyu , Zhang Zhuoyu , Shen Miaomiao , Zhao Weibo , Zhang Tingyu , Li Shao , Liu Liren 
Published: January 2025

AbstractEfficient virtual screening methods can expedite drug discovery and facilitate the development of innovative therapeutics. This study presents a novel transfer learning model based on network target theory, integrating deep learning techniques with diverse biological molecular networks to predict drug‐disease interactions. By incorporating network techniques that leverage vast existing knowledge, the approach enables the extraction of more precise and informative drug features, resulting in the identification of 88,161 drug‐disease interactions involving 7,940 drugs and 2,986 diseases. Furthermore, this model effectively addresses the challenge of balancing large‐scale positive and negative samples, leading to improved performance across various evaluation metrics such as an Area under curve (AUC) of 0.9298 and an F1 score of 0.6316. Moreover, the algorithm accurately predicts drug combinations and achieves an F1 score of 0.7746 after fine‐tuning. Additionally, it identifies two previously unexplored synergistic drug combinations for distinct cancer types in disease‐specific biological network environments. These findings are further validated through in vitro cytotoxicity assays, demonstrating the potential of the model to enhance drug development and identify effective treatment regimens for specific diseases.
In Situ Analysis of Li Plating and Stripping Behaviors Under Dynamic Current Conditions for Realistic Application Scenarios
Authors: Guo Yanpeng , Wei Xinqi , Zeng Cheng , Ji Xinyu , Liu Yao , Wang Shuhao , Liu Xizheng , Zhai Tianyou , Li Huiqiao 
Published: January 2025

AbstractLithium metal batteries are considered the holy grail for next‐generation high‐energy systems. However, lithium anode faces poor reversibility, unsatisfying cyclability and rate capability due to its uncontrollable plating/stripping behavior. While galvanostatic conditions are extensively studied, the behavior under more realistic application scenarios with variable inputs are less explored. Here, an in situ imaging platform using in‐plane microdevice configurations is developed to effectively investigate Li plating/stripping behavior under dynamic conditions. This platform offers high detectivity for analyzing the nuclei size, density, distribution, and growth location, rate, and mode. It is for the first time revealed that nuclei density and growth locations remain constant and are solely determined by the initial nucleation overpotentials during dynamic plating. A transition in growth modes from uniform granular growth to tip‐induced dendrite growth, and finally to directional growth among the dendrites is also observed. Guided by these findings, a dynamic plating protocol is proposed, which can greatly improve the Li reversibility and cycling stability. This work not only provides a novel approach to visualize the evolution of key nucleation and growth parameters, especially under variable inputs, but also offers valuable guidance for the future industrialization of metal batteries and the rational design of charging facilities.
Upcycling of Low‐Value Cathode Materials from Spent Lithium‐Ion Battery to High‐Voltage Cathode with Ultrahigh Rate Capability and Reversibility
Authors: Lei Shuya , Li Jiexiang , Sun Wei , Ge Peng , Yang Yue 
Published: January 2025

AbstractLiMn2O4 and LiFePO4 materials are widely applied in electric vehicles and energy storage. Currently, spent LiMn2O4 and LiFePO4 materials recycling is challenged by long process, high energy consumption, and poor recycling economy due to the indispensable metal separation in their recycling. Aiming at this challenge, an upcycling of low‐value cathode materials to high‐value high‐voltage lithium ferromanganese phosphate (LMFP) by simple leaching and hydrothermal reaction is proposed, and the LMFP material with ultrahigh rate capability and reversibility due to its homogenized element distribution, well‐defined nanorods particles, short Fe/Mn─O bond and long average Li─O bond length is regenerated. The initial discharge capacity reaches 144.2 mAh g−1 with 87% capacity retention after 1000 cycles at 1 C. Even cycling at 5 C, a discharge capacity of 136.9 mAh g−1 with 86.4% capacity retention is achieved after 1000 cycles. Kinetics analysis and characterizations of the regenerated LMFP material after cycling further reveal its fast diffusion ability and stable structure. This work sheds light on the potential value of LMFP material regeneration and offers an economic strategy for upcycling of spent low‐value cathode materials.
Continuous Flow β‐Zeolite Catalysed Regioselective Alkylation of Naphthols Using Alcohols for Synthesis of Peroxynaphthalen‐2(1H)‐one, Azidonaphthalen‐2(1H)‐one and Fluoronaphthalen‐2(1H)‐one Derivatives
Authors: Londhe Gokul , Bokade Vijay , Gnanaprakasam Boopathy 
Published: January 2025

AbstractFunctionalized naphthols are prominent scaffolds in organic synthesis and materials chemistry. Herein, we demonstrated continuous flow alkylation of α‐ and β‐naphthols by using various primary and secondary benzylic alcohols in the presence of environmentally benign granular β‐zeolite as a reusable catalyst. For a variety of β‐naphthols, the respective alkylated products with good regioselectivity were obtained in high yields under mild reaction conditions. This protocol proceeded via the classical Friedel‐Crafts type alkylation process and generated stable carbocations as intermediates. Applying this protocol, versatile naphthol derivatives have been synthesized using primary and secondary benzylic alcohols (50 and 44 examples in batch and continuous flow process, respectively), with good yields. Key advantages of this process includes rapid and efficient transformation, facilitates gram‐scale synthesis, and generates water as the sole by‐product. The most significant advantage is the continuous reusability of granular β‐zeolite, which further emphasizes the sustainability of the method. The application of alkylated naphthols for quaternary functionalization was demonstrated through peroxidation, azidation, and halogenation reactions under the continuous flow module, which yielded the respective peroxynaphthalen‐2(1H)‐one, azidonaphthalen‐2(1H)‐one and fluoronaphthalen2(1H)‐one derivatives.