bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Portable High‐Efficiency Multi‐Material Electrospinning Device with Low Environmental Dependence
Authors: Zhang Yi , Liu Huazhen , Cai Weihuang , Dai Qiqi , Luo Kaidi , Lu Chunxiang , Jin Aoxiang , Liu Yuanyuan 
Published: January 2025

AbstractThe emergence of handheld in situ electrospinning systems provides an effective method to broaden the applications of electrospinning in areas such as emergency rescue, disaster relief, and pollution prevention. However, their further development is significantly hindered by low efficiency and the considerable impact of external environmental factors. Furthermore, their functionality is restricted due to the use of single‐material electrospinning. Here, a low environment‐dependent, portable, high‐speed multi‐material electrospinning device (LEPHE) is proposed based on a gas‐electric coupling field. With an internal electric field and airfield, LEPHE can decouple the electrospinning process into two stages: jet formation and delivery. This design eliminates the effects of environmental factors on film formation, which are common challenges in traditional electrospinning. By utilizing a multi‐needle gas‐electric coupling field head with alternating bifurcated channels inside, LEPHE significantly improves efficiency and allows for in situ composite film preparation. Experimental results demonstrate the system's excellent environment adaptability, high spinning efficiency, and good uniformity in film formation. Additionally, LEPHE is capable of achieving uniformly mixed deposition of multi‐material fibers. It allows for the on‐demand stacking of various material layers and the adjustment of material proportions in single layers to create composite films.
First Bromide‐Catalyzed Selenylation of 2‐Alkyn‐1‐One O‐Methyloximes Enabled the Synthesis of 4‐Selenylated Isoxazoles
Authors: Cai Jinhui , Zeng Zhouting 
Published: January 2025

AbstractA series of 3,5‐diaryl‐4‐selanylisoxazoles were synthesized in 56–97% yields (most cases>80% yield), which was first accomplished via bromide‐catalyzed selenylation of 2‐alkyn‐1‐one O‐methyloximes using element Se and boronic acids as the selenyl source. Compared to traditional strategies, this method proceeded under simple catalytic system. Broad substrate scope, good functional group compatibility, metal‐free conditions, and easy operation was showed in this protocol. Additionally, this method was easily amendable to gram‐scale reaction and synthetic transformations. Furthermore, preliminary mechanistic experiments demonstrated that a radical pathway was possibly involved in this work.
Selective Synthesis of 2‐(Indol‐3‐Yl)Phenols via Iodine‐Catalyzed C3‐Arylation of Indoles with Cyclohexanones
Authors: Yin Qi , Zhou Xinlin , Zhang Chao , Chen Shanping , Li Yuxia , Deng Guo‐Jun 
Published: January 2025

AbstractAn iodine‐catalyzed C3‐arylation of indoles with cyclohexanones to selectively synthesize 2‐(indol‐3‐yl)phenols has been described. Mechanism studies indicate that the oxygen atom in 2‐(indol‐3‐yl)phenols is originally from DMSO. This cascade involving dehydration condensation, selective oxygenation, dehydrogenation, and aromatization was achieved in one pot under transition‐metal‐free conditions.
Regio‐ and Diastereoselective Cascade Synthesis of 5‐Alkylidene‐γ‐Lactams via Copper‐Catalyzed Hydro‐Oxycarbonylation
Authors: Llorente Galder , Teresa Herrero Maria , Urgoitia Garazi , SanMartin Raul 
Published: January 2025

AbstractTransition metal‐catalyzed hydrofunctionalization of alkynes and, more precisely, the intramolecular hydro‐oxycarbonylation (cycloisomerization) of acetylenic acids, has been widely employed as a key step in cascade processes for the construction of valuable and complex molecules. However, in contrast with other aminonucleophiles, no method has been reported for the reaction between primary monoamines and non‐activated alkynoic acids. Hence, a procedure has been devised for the regio‐ and diastereoselective preparation of 5‐alkylidene‐γ‐lactams via a copper‐catalyzed cascade reaction between alkynoic acids and amines. The developed protocol proves to be scalable and demonstrates significant tolerance to a wide range of structurally diverse alkynoic acids and amines bearing various functional groups, as evidenced by 60 high‐yielding examples. An exhaustive experimental and computational analysis of the reaction is also provided to unravel the nature and role of the copper catalyst, the observed regioselectivity and the mechanism of the reaction.
Detrimental Effect of T261I and R287W SMAD3 Variants on Early Osteoarthritis: A Potential Anti‐Inflammatory Molecule for Personalized Treatment
Authors: V Janakiraman , M Sudhan , Ahmad Sheikh F. , Al‐Mazroua Haneen A. , Ahmed Shiek S. S. J. 
Published: January 2025

AbstractOsteoarthritis (OA) is an inflammatory disease that primarily impacts the elder population worldwide. Mothers against decapentaplegic homolog 3 (SMAD3), a member of the SMAD family, activates multiple cytokines and suggested as a therapeutic target for OA. SMAD3 variations may affect its protein structure and drug response. This study aimed to screen 195 SMAD3 variants to determine their structural consequences affecting the binding site and affinity of its known inhibitor (SIS‐3). Of these, T261I and R287W are associated with the early onset of OA causing deleterious effects. Molecular docking with SIS‐3 against native (−4.57 kcal mol−1) and variants shows a change in binding affinities (T261I, −5.02 kcal mol−1, and R287W, −4.20 kcal mol−1). Consequently screening 3363 anti‐inflammatory compounds,N‐[[2‐(3,5‐dimethoxyphenyl)‐6‐(trifluoromethyl)pyridin‐3‐yl]methyl]‐2‐[3‐fluoro‐4‐(methanesulfonamido)phenyl]propanamide (N2P) exhibits increased affinity with native (−6.81 kcal mol−1), T261I (−6.91 kcal mol−1), and R287W (−6.90 kcal mol−1) along with MM/GBSA binding energy of −49.20, −50.49, and −50.46 kcal mol−1 than SIS‐3. Further, dynamics simulations reveal conformational stability of N2P with SMAD3 native and variants. The density functional theory confirms the electron transfer capability of N2P in binding with SMAD3 variants. These findings provide insights into structural consequences of SMAD3 variants, improving the understanding of its role in OA and treatment strategies.
Accelerated Discovery of Gas Response in CuO via First‐Principles Calculations and Machine Learning
Authors: Chen Yu , Sun Yujiao , Yang Zijiang , Huang Sheng , Gu Xiuquan 
Published: January 2025

AbstractRecent advancements in gas‐sensitive materials based on metal oxides have mainly relied on experimental trial and error, which is time‐consuming and costly. To address this, a novel approach combining first‐principles calculations and machine learning is proposed to predict the gas response properties of materials. Copper oxide (CuO) is used as a representative material for validation. Six characteristic parameters are selected at the electron and atomic structure level, including adsorption energy (Eads), bandgap (Eg), distortion degree, conduction band minimum (CBM), valence band maximum (VBM), and bond length (d), to build an accelerated gas response discovery model. The results indicate that gas response is determined by changes in these parameters upon gas adsorption, though no direct correlation is found. Machine learning algorithms are applied to establish correlation models, achieving an accuracy of 83.75%. Analysis reveals that the distortion degree has the most significant impact on a gas response (28.57%), while the VBM contributes the least (4.76%). CuO exhibits a strong response to gases like C3H8O, C4H10O, CO, H2, and NO2, but minimal response to C6H15N and C8H10, consistent with literature findings. This work offers new insights for sensor development and could enhance the efficiency of material discovery in gas sensing applications.
Controlled Inflammation Drives Neutrophil‐Mediated Precision Drug Delivery in Heterogeneous Tumors
Authors: Guo Yunfei , Li Yiming , Li Jianmin , Cai Haoran , Liu Kangkang , Duan Dengyi , Zhang Wenyi , Han Gang , Zhao Yang 
Published: January 2025

AbstractTumor heterogeneity remains a formidable obstacle in targeted cancer therapy, often leading to suboptimal treatment outcomes. This study presents an innovative approach that harnesses controlled inflammation to guide neutrophil‐mediated drug delivery, effectively overcoming the limitations imposed by tumor heterogeneity. By inducing localized inflammation within tumors using lipopolysaccharide, it significantly amplify the recruitment of drug‐laden neutrophils to tumor sites, irrespective of specific tumor markers. This strategy not only enhances targeted drug delivery but also triggers the release of neutrophil extracellular traps, further potentiating the anti‐tumor effect. Crucially, this study demonstrates that potential systemic inflammatory responses can be effectively mitigated through neutrophil transfusion, ensuring the safety and clinical viability of this approach. In a murine breast cancer model, the method significantly impedes tumor growth compared to conventional treatments. This work offers a versatile strategy for precise drug delivery across diverse tumor types. The findings pave the way for more effective and broadly applicable cancer treatments, potentially addressing the long‐standing challenge of tumor heterogeneity.
Endothelial Cpt1a Inhibits Neonatal Hyperoxia‐Induced Pulmonary Vascular Remodeling by Repressing Endothelial‐Mesenchymal Transition
Authors: Li Xiaoyun , Hegarty Katy , Lin Fanjie , Chang Jason L. , Abdalla Amro , Dhanabalan Karthik , Solomevich Sergey O. , Song Wenliang , Roder Karim , Yao Chenrui , Lu Wenju , Carmeliet Peter , Choudhary Gaurav , Dennery Phyllis A. , Yao Hongwei 
Published: January 2025

AbstractPulmonary hypertension (PH) increases the mortality of preterm infants with bronchopulmonary dysplasia (BPD). There are no curative therapies for this disease. Lung endothelial carnitine palmitoyltransferase 1a (Cpt1a), the rate‐limiting enzyme of the carnitine shuttle system, is reduced in a rodent model of BPD. It is unknown whether endothelial Cpt1a reduction causes pulmonary vascular (PV) remodeling. The latter can be the result of endothelial‐mesenchymal transition (EndoMT). Here, endothelial cell (EC)‐specific Cpt1a KO and WT mice (<12 h old) are exposed to hyperoxia (70% O2) for 14 days and allow them to recover in normoxia until postnatal day 28. Hyperoxia causes PH, which is aggravated in EC‐specific Cpt1a KO mice. Upregulating endothelial Cpt1a expression inhibits hyperoxia‐induced PV remodeling. Hyperoxia causes lung EndoMT, detected by immunofluorescence, scRNA‐sequencing, and EC lineage tracing, which is further increased in EC‐specific Cpt1a KO mice. Blocking EndoMT inhibits hyperoxia‐induced PV remodeling. Male mice under the same high oxygen conditions develop a higher degree of PH than females, which is associated with reduced endothelial Cpt1a expression. Conclusively, neonatal hyperoxia causes PH by decreasing endothelial Cpt1a expression and upregulating EndoMT. This provides a valuable strategy for developing targeted therapies by upregulating endothelial Cpt1a levels or inhibiting EndoMT to treat BPD‐associated PH.
Incorporating Interstitial Carbon Atoms and Graphene Quantum Dots in Crystalline Ni(OH)Cl for Ultrastable and Superior Rate Supercapacitors
Authors: Wang Guanwen , Zhou Wenbo , Chi Chunlei , Zhou Yufei , Liu Zheng , Qiu Zhipeng , Yan Yingchun , Huangfu Chao , Qi Bin , Li Zhiyuan , Gao Pengfei , Wang Chuanqing , Gao Wenpei , Wei Tong , Fan Zhuangjun 
Published: January 2025

AbstractDespite their high theoretical capacity, Ni‐based materials are hindered by significant issues such as structural degradation, low intrinsic conductivity, and sluggish kinetics, resulting in poor stability and rate performance. Herein, the Ni(OH)Cl‐ICA‐GQDs incorporated with interstitial carbon atoms (ICAs) and graphene quantum dots (GQDs) are proposed to radically reverse its structural stability and electronic transport capability. ICAs can induce lattice micro‐strain that adjusts bond lengths and angles, leading to intrinsically ameliorated structural stability under alkaline and even acidic conditions. GQDs promote the formation of micro‐conductive circuits, optimizing the electronic configuration and redox kinetics. As a result, the Ni(OH)Cl‐ICA‐GQDs electrode achieves exceptional cyclic stability (91.5% retention after 20 000 cycles versus 70.3% retention after 2000 cycles for Ni(OH)Cl) and remarkable rate capability (312C g−1 at 100 A g−1 vs 109C g−1 at 50 A g−1 for Ni(OH)Cl). Furthermore, the Ni(OH)Cl‐ICA‐GQDs//AC hybrid supercapacitor achieves an ultrahigh power density of 41.5 kW kg−1 with an energy density of 28.8 Wh kg−1, surpassing most Ni‐based supercapacitors. This approach offers a promising strategy for the precise modification of high‐performance electrodes for energy storage applications.
Catalytic Asymmetric 1,4‐Hydrocarbonation of 1,3‐Enynes via Photoredox/Cobalt/Chromium Triple Catalysis
Authors: Yang Ju‐Song , Wang Xing‐Yu , Li Yong‐Yao , Zhang Fu‐Min , Zhang Xiao‐Ming , Tu Yong‐Qiang 
Published: January 2025

AbstractA synergistic photoredox/cobalt/chromium triple catalysis system for regioselective, enantioselective, and diastereoselective 1,4‐hydrocarbonation of readily available 1,3‐enyne precursors was explored, providing a modular synthetic platform for various trisubstituted axially chiral allenes bearing an extra central chirality. The protocol features a broad substrate scope, good functional group tolerance, excellent selectivity, and mild reaction conditions. Furthermore, a possible reaction mechanism is proposed based on numerous control experiments and density functional theory calculations.
Establishing the Link Between Oxygen Vacancy and Activity Enhancement in Acidic Water Oxidation of Trigonal Iridium Oxide
Authors: Zhu Wenxiang , Ma Mengjie , Gao Dongdong , Chen Jinxin , Huang Hui , Feng Kun , Wang Qun , Wu Jie , Li Penghao , Guo Jinzeng , Fan Zhenglong , Zhong Jun , Shao Qi , Liao Fan , Liu Yang , Shao Mingwang , Kang Zhenhui 
Published: January 2025

AbstractDeveloping durable IrO2‐based electrocatalysts with high oxygen evolution reaction (OER) activity under acidic condition is crucial for proton exchange membrane electrolyzers. While oxygen defects are considered potentially important in OER, their direct relationship with catalytic activity has yet to be established. In this study, we introduced abundant oxygen vacancies through Re doping in 2D IrO2 (Re0.03Ir0.97O2), demonstrating their decisive role in enhancing OER performance. The Re0.03Ir0.97O2 catalyst exhibited excellent OER performance with an overpotential of 193 mV at 10 mA cm−2 and sustained activity for over 650 hours, significantly surpassing the undoped catalyst. Moreover, it maintained operation at a cell voltage of 1.70 V (~1200 mA cm−2) for over 140 hours without significant performance degradation. Theoretical calculations coupled with cyclic voltammetry, transient potential scanning and in situ characterizations confirmed the adsorbate evolving mechanism on Re0.03Ir0.97O2, as well as the critical role of Re‐induced oxygen vacancies in enhancing OER performance. These findings highlight that oxygen defects directly influence OER activity, providing guidance for the application of oxygen vacancy engineering in electrocatalyst design.
Synergistic Effect Promotes Visible‐Light–Driven CO2‐To‐CO Conversion by Macrocyclic Dinuclear Mixed‐Valence Co (II)/Co (III) Complexes
Authors: Huang Chunzhao , Chen Zilu , Hao Hongmei , Huang Zubing , Liao Caizhen , Su Donghui , Mo Anna , Hu Huancheng , Hou Cheng , Liang Fupei , Liu Dongcheng 
Published: January 2025

ABSTRACTThe catalytic conversion of carbon dioxide (CO2) into valuable energy under light sources is one of the effective ways to achieve carbon cycle. The reported nonprecious metal complex catalysts still show the shortcomings of low catalytic activity and low selectivity in visible‐light–driven CO2 reduction, especially in aqueous systems. Herein, we report three dinuclear mixed‐valence Co (II)/Co (III) complexes 1–3 bearing macrocyclic ligands that exhibit high activity and selectivity for visible‐light–driven photocatalytic CO2 reduction in an aqueous system. Moreover, the TONCO and CO selectivity for macrocyclic dinuclear mixed‐valence complex 3 reach as high as 4100 and 96%, respectively, which is about 4.9 times higher than that of mononuclear Co (II) complex 4. Through electrochemical and DFT calculations, we found that the increase in photocatalytic activity of 3 is due to the synergistic effect between the two metal centers, in which one Co site stabilizes the *COOH intermediate and reduces the energy barrier of the rate‐determining step, thereby increasing the catalytic activity.
Efficient Capture of Pb (II) Ions From Aqueous Solutions Using Metal Organic Frameworks@Covalent Organic Framework Composites With Abundant Carboxyl Groups
Authors: Zhang Shaopeng , Ding Jie , Tian Dayong , Kang Ruiqin , Wang Xiaolong , He Haoyang , Lu Minghua 
Published: January 2025

ABSTRACTThe development of efficient adsorbents with high selectivity is essential for mitigating environmental pollution. This study introduces a novel adsorbent comprising a metal–organic framework (i.e., MIL‐101(Fe)‐NH2) and a covalent organic framework (COF) enriched with carboxyl groups, which is designated MIL‐101(Fe)‐NH2/COF‐COOH. The adsorbent is synthesized through a Schiff base reaction followed by carboxymethylation and is subsequently employed for Pb (II) adsorption. The structure of MIL‐101(Fe)‐NH2/COF‐COOH is confirmed using various characterization techniques, including Fourier transform infrared spectroscopy, scanning electron microscopy, X‐ray diffraction, thermogravimetric analysis, and Brunauer, Emmett, and Teller surface area analysis. The adsorption capacity (qe) value of MIL‐101(Fe)‐NH2/COF‐COOH is estimated through batch adsorption experiments. The effects of several factors, including pH, adsorbent dosage, contact time, Pb (II) concentration, solution ionic strength, and temperature, on the adsorption process are systematically assessed. MIL‐101(Fe)‐NH2/COF‐COOH achieves the highest adsorption of 184 mg/g at pH 6. The adsorption kinetics, isotherms, and thermodynamics indicate that the adsorption process occur through a spontaneous monolayer chemical process. Moreover, MIL‐101(Fe)‐NH2/COF‐COOH displays remarkable anti‐interference capability, and its qe decreases by only 10% after 10 cycles. Based on the characterization results, the Pb (II) adsorption mechanism is determined to be primarily electrostatic and chelation interactions between Pb (II) and O‐ and N‐containing functional groups. Thus, this highly efficient and recyclable adsorbent exhibits considerable potential for removing Pb (II) from aquatic ecosystems.
Curing Mechanism and Properties Epoxy Resins With Main‐Chain Polyimidazolium Ionic Liquids
Authors: Liang Jingshi , Liu Bo , Wang Ye , Jiao Delai , Shi Xiaolin , Pan Zhiming , Zhang Chunling 
Published: January 2025

ABSTRACTIonic liquids have aroused considerable attention in the fields of polymer and materials science due to their designability and distinctive qualities. Epoxy resin (EP) with antimicrobial and stain‐resistant properties is important for the service life of the material and for eliminating potential health hazards. In this study, a series of main‐chain polyimidazolium ionic liquids (PIMILs) differing in the alkyl chain length of cation sizes (propyl, butyl, hexyl, octyl, decyl, dodecyl, 3,6‐dioxaoctyl, and 4,7,10‐trioxatridecyl) were synthesized by the Debus–Radziszewski reaction, and used as curing agents for EPs. The results of the curing conditions of their corresponding EPs revealed the regularity in the curing conditions dependent mainly on alkyl chain length. Meanwhile, the influence of the chloride anion and cation size on thermal stability, the glass transition temperature (T
g), and thermomechanical properties of the epoxy composites were discussed, Finally, the water contact angles of thermosets ranged from 78.1° to 104.5°, and the thermosets could effectively kill multiple strains of bacteria and remove the biofilm.
Effect of Modified Carbon Black on the Performance of Semiconductive Composites for High‐Voltage Direct‐Current Cable Applications
Authors: Kang Yuanyi , Wang Qingyu , Han Weihua , Xing Zhaoliang , Xu Hongwei , Zhang Tao , Xin Meng , Hao Chuncheng 
Published: January 2025

ABSTRACTThe semiconductive shielding layer is located between the conductive core and the insulation layer of high‐voltage direct current cables, which plays a role in homogenizing the electric field and suppressing the effect of space charge injection into the insulation layer. However, the positive temperature coefficient (PTC) effect is still the main cause of thermal breakdown and interface failure of the insulation layer. In this paper, carbon black was etched and modified, and then blended with low density polyethylene (LDPE) and Ethylene‐vinyl acetate (EVA) to prepare composites. The modification of carbon black enhanced suppression of space charge injection. Moreover, the PTC effect decreased by 15.4%.
High‐Efficient Photochromic P123/WOx Films via Semi‐Annealing for Enhanced Optical Data Storage
Authors: Dou Xuanyu , Li Xin , Zhang Zhihao , Jiang Xinxin , Miao Jingying , Qi Xiuping , Fu Shencheng , Zhang Xintong 
Published: January 2025

ABSTRACTTungsten oxide has attracted much attention as a fascinating medium for optical energy transformation due to the significant color‐changing under light irradiation. By now, most of the photochromism enhancement strategies focus on the interaction between the tungsten oxide and its surrounding medium, such as semiconductors or polymers, to promote the spatial separation between electrons and holes in tungsten oxide. However, modulating the intrinsic photochromism of tungsten oxide is rather difficult. Herein, we construct a humidity‐dependent P123/WOx composite film via a semi‐annealing method. The transparency of the film is significantly improved with the decrease of environmental humidity. By setting different annealing temperatures, the photochromic performance can be adjusted from two aspects: the population of oxygen vacancies in WOx and the hydrogen bond ratio in P123/WOx, respectively. Compared to commercial WO3 films, the P123/WOx film shows an obvious increase in photochromic amplitude, photo‐response speed, and holographic storage efficiency. The hybrid film is also used as a sandwiched layer to construct a polarization multiplexed optical storage, exhibiting the promising advantages in high‐density information storage and photochromism‐adjustable devices.