bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhanced Electromechanical Properties of Nitrile Rubber Dielectric Elastomer Composites by SrTiO3‐PPy‐PCPA Multilayer Core‐Shell Hybrids Construction
Authors: Liu Xiaowei , Ruan Mengnan , Li Bo , Cao Weixue , Sun Yuxin , Ruan Ke , Liu Zhifeng 
Published: October 2024

AbstractIn order to obtain high dielectric properties nitrile rubber (NBR) dielectric elastomer composites, in this work, polypyrrole (PPy) was encapsulated on the surface of SrTiO3 (STO) ceramic particles, and an insulating layer of poly (catechol/polyamine) (PCPA) was also covered on the outer surface of the STO‐PPy core‐shell particles (denoted as STO‐PPy‐PCPA particles), then the dielectric elastomer composites were prepared by adding STO and STO‐PPy‐PCPA to NBR, respectively. Due to the electrical conductivity of PPy, the dielectric constant of the STO‐PPy‐PCPA particles increases substantially. At the same time, the insulating layer of PCPA further prevents current leakage from the composite, which not only avoids premature electrical breakdown but also effectively reduces the dielectric loss. Compared with pure NBR, the dielectric constant of the prepared dielectric elastomer composites increased from 13 to 17.19 (20 phr STO‐PPy‐PCPA/NBR), and the actuated strain increased from 3.28 % to 13.86 % (5 phr STO‐PPy‐PCPA/NBR), which is 4.2 times that of pure NBR. This work successfully solves the current problems of requiring a large amount of ceramics to improve the dielectric constant and the tendency of conductive particles to agglomerate and premature breakdown.
Design of New Benzimidazole‐Indazole Derivatives as Potential FLT3 Inhibitors Using 3D‐QSAR, ADMET, Molecular Docking, MM‐GBSA, and Molecular Dynamics Studies
Authors: Haloui Rachid , Ballari Amine , Errebbane Mustapha , Mkhayar Khaoula , ElKhattabi Kaouakeb , Abbouchi Abdelmoula El , Kazzouli Saïd El , Chtita Samir , Haoudi Amal , Elkhattabi Souad 
Published: October 2024

AbstractIn this work, we performed a 3D‐QSAR study on a dataset of benzimidazole‐indazole‐derived molecules reported as FLT3 inhibitors for the treatment of acute myeloid leukemia (AML). This study led to the design of six new molecules with better FLT3 inhibitory activity than the reference inhibitor (gilteritinib) and the synthesized template molecule (M20). The designed molecules are screened for their drug‐like and ADMET proprieties. The obtained results enabled us to select three molecules as the best candidate FLT3 inhibitors. Molecular docking and MM‐GBSA calculations show that the three molecules are more localized and targeted in the FLT3 active site compared to gilteritinib and M20 molecules. Through molecular dynamics simulations, the insertion of the three designed molecules in the FLT3 active site leads to stable complexes during the simulation period. Finally, the three newly designed molecules represent an interesting proposal for the development of drugs against AML.
Optimization of Magnetite Nanoparticles for Magnetic Hyperthermia: Correlation with Physicochemical Properties and Cation Distribution
Authors: Patel Nadiya N. , Khot Vishwajeet M. , Patil Raghunath S. 
Published: October 2024

AbstractThe present study reveals the synthesis of Iron oxide nanoparticles (IONPs) by varying the molar ratio of ferric (Fe3+) to ferrous (Fe2+) ions via chemical coprecipitation method for the study of cationic distribution of Fe‐ions and its potential application for magnetic hyperthermia therapy (MHT). X‐ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), and X‐ray photoelectron spectroscopy (XPS), were used to characterize the physicochemical properties. Several structural parameters were estimated using the Rietveld refinement, resulting in structural modelling verified by magnetic characteristics. A vibrating sample magnetometer (VSM) assessed the magnetic hysteresis loop at room temperature in a field range of ±15 kOe, revealing superparamagnetic behavior for the ratio Fe2+/Fe3+ 1:2. The saturation magnetization (Ms) of IONPs increased with the increasing Fe2+ concentration and attained a maximum value of 60.21 emu g−1 at a molar ratio of 2:1. The potential of the inductive heating capability of IONPs in an alternating current magnetic field (AMF) was studied to treat localized MHT. The changes in magnetic properties and inductive heating properties of IONPs are associated with the cationic distribution of Fe2+ at the tetrahedral (A) and octahedral (B) sites of crystal structure. The variation in cationic properties at the A and B sites may result in varying/tuneable magnetic properties, affecting the overall heating profiles of hyperthermia.
Fabrication of Nitrogen Functionalized Carbon Nanofiber Nanocomposite Using Activated Carbon Derived from Lantana Camara for the Electrochemical Detection of Ofloxacin
Authors: Sahil  , Bharati Jaryal Vishal , Singh Dilbag , Gupta Neeraj 
Published: October 2024

AbstractEfforts to mitigate the environmental and health risks associated with the antibiotic ofloxacin necessitate innovative methodologies for its detection. The cost of expensive carbon materials like carbon nanofibers can be reduced by making their hybrids with biomass‐derived carbon materials. In this context, a nitrogen‐functionalized carbon nanofiber‐based nanocomposite (N‐LN‐CNF), incorporating activated carbon derived from Lantana Camara, was fabricated for the detection of ofloxacin. X‐ray photoelectron spectroscopy and Fourier Transform Infrared analyses confirmed the presence of nitrogen functionalities in the N‐LN‐CNF. The surface and internal morphology were analyzed using field emission scanning electron microscopy and high‐resolution transmission electron microscopy. The material was tested as an electrochemical sensor for ofloxacin detection. A linear response for ofloxacin was observed in the range of 2 μM to 43 μM for N‐LN‐CNF/GCE via linear sweep voltammetry (LSV) with a limit of detection (LOD) of 1.92 μM. The interaction between the fabricated electrode and the analyte is a combination of diffusion and adsorption‐controlled processes. This metal‐free sensor offers a sustainable approach for detecting ofloxacin in water and pharmaceutical preparations.
A New Manganese Complex for Nano‐molar Recognition of AsO2−Ion via Turn‐ON Fluorescence: DFT Studies, and Catecholase Like Activity of the Complex
Authors: Chatterjee Sudeshna , Khanra Somnath , Mukherjee Pallabi , Mukherjee Sukriti , Das Debasis 
Published: October 2024

AbstractA new manganese complex (M3) selectively recognizes arsenite (AsO2−) ion at nano‐molar level. The recognition event is attributed to hydrogen bond assisted chelation enhanced fluorescence that inhibits photo induced electron transfer (PET) process. The structure of the M3 is confirmed by single‐crystal X‐ray diffraction analysis. The association constant and lowest detection limit for AsO2−are 0.057×102 M−1 and 21.38 nM respectively. The M3 catalyzes the catechol oxidation reaction, the turnover number for which is 1.84×104 h−1. DFT studies substantiate their interaction in terms of spectroscopic properties.
Encapsulation of Cu/Fe3O4 With RT‐COF‐1 for Improved Stability in Water–Gas Shift Reaction
Authors: Ren Mengxiang , Tan Ruifan , Mou Xiaoling , Liu Qiying , Lin Ronghe , Ding Yunjie 
Published: October 2024

AbstractStability is crucial for the practical application of heterogeneous catalysts, particularly in industrial processes, where catalyst deactivation often occurs due to factors such as sintering, poisoning, and active site degradation. This study investigates the effectiveness of utilizing covalent organic frameworks (COFs), specifically RT‐COF‐1, to enhance the stability of Cu/Fe3O4 catalysts in harsh water–gas shift (WGS) reaction environments. By encapsulating Cu/Fe3O4 with trace RT‐COF‐1, we aimed to preserve the structural integrity and active interfaces between the metal components during catalytic reactions. Characterization techniques, including X‐ray photoelectron spectroscopy, nitrogen sorption, and high‐angle annular dark‐field scanning transmission electron microscopy, confirmed the successful COF coating and its role in preventing particle aggregation and maintaining active site structures over extended catalytic tests. Notably, Cu/Fe3O4@COF demonstrated significantly enhanced stability during a continuous 24‐h WGS test compared to uncoated catalysts, which exhibited rapid deactivation. Mechanistic insights indicated that COF coating reduced the number of active sites while preserving the overall morphology of the catalyst, contributing to its robust performance. Ultimately, this work highlights the potential of COF encapsulation as an effective strategy for enhancing the durability and efficacy of multifunctional catalysts in challenging reaction conditions.
Controlled Growth of Single‐Walled Carbon Nanotube Films by Iron‐assisted Floating Solid Catalyst Chemical Vapor Deposition
Authors: Li Xiaodan , Tong Tianze , Zhang Liya , Yu Yue , Zou Mingzhi , Yi Ding , Qian Liu , Gao Xin , Zhang Jin 
Published: October 2024

AbstractSingle‐walled carbon nanotube (SWNT) films, with exciting electronic properties are increasingly important for next‐generation technologies. Here, an Iron‐assisted floating solid catalyst chemical vapor deposition (IA‐FSCCVD) method is developed for the controlled growth of high‐quality and high‐purity SWNT films. Titanium carbide nanoparticles with a high melting point are used as the solid catalysts, which provide a stable template for SWNT growth through the perpendicular growth mode. Trace amounts of iron are introduced to increase the efficiency of SWNT growth. Gas chromatography measurements and density functional theory show that the gas‐phase iron acts as a pre‐cracking assistance for the carbon source, promoting the growth of SWNTs. Carbon nanotube films with a high quality (average IG/ID = 166) are successfully prepared, a small diameter deviation (mean diameter of 1.6 nm), and a high content of SWNTs (97%) using the IA‐FSCCVD platform. This work provides a powerful way to prepare the carbon nanotube aggregates with a controlled structure.
Dimesitylborane as Electron Accepting Unit in High Performance Yellow Single‐Layer Phosphorescent Organic Light Emitting Diode
Authors: Brouillac Clément , Lucas Fabien , Ari Denis , Lebreton Christophe , Jeannin Olivier , Rault Berthelot Joëlle , Quinton Cassandre , Jacques Emmanuel , Poriel Cyril 
Published: October 2024

AbstractA new host material for Single‐Layer Phosphorescent Organic Light‐Emitting Diodes (SL‐PhOLED) is reported, namely SPA‐2‐FDMB, using the dimesitylborane (DMB) fragment as an acceptor unit. The molecular design is constructed on the general donor‐spiro‐acceptor architecture, which consists of connecting, via a spiro bridge, a donor and an acceptor units in order to avoid strong interaction between them. The DMB fragment is known for many electronic applications (notably Aggregation‐Induced Emission) but has not been used yet for SL‐PhOLED applications. This appears particularly interesting, as the development of this simplified technology has shown that only a few electron‐accepting fragments such as diphenylphosphine oxide can provide high‐performance devices. Herein, the yellow‐emitting SL‐PhOLED using SPA‐2‐FDMB as host presents an External Quantum Efficiency of 8.1% (Current Efficiency of 24.9 cd.A−1) with a low threshold voltage of 2.6 V. As SPA‐2‐FDMB presents a sharp HOMO/LUMO difference, the good matching of HOMO and LUMO energy levels with the Fermi level of the electrodes is responsible for these performances. The low LUMO level of −2.61 eV also appears particularly important. These performances are, to date, the highest reported for a yellow/orange‐emitting SL‐PhOLED and show the potential of DMB unit in the single‐layer technology.
Ultra‐Low Power Consumption Artificial Photoelectric Synapses Based on Lewis Acid Doped WSe2 for Neuromorphic Computing
Authors: Ma Mingjun , Huang Chaoning , Yang Mingyu , He Dong , Pei Yongfeng , Kang Yufan , Li Wenqing , Lei Cheng , Xiao Xiangheng 
Published: October 2024

AbstractCapitalizing on the extensive spectral capacity and minimal crosstalk properties inherent in optical signals, photoelectric synapses are poised to assume a pivotal stance in the realm of neuromorphic computation. Herein, a photoelectric synapse based on Lewis acid‐doped semiconducting tungsten diselenide (WSe2) is introduced, exhibiting tunable short‐term and long‐term plasticity. The device consumes a mere 0.1 fJ per synaptic operation, which is lower than the energy required by a single synaptic event observed in the human brain. Furthermore, these devices demonstrate high‐pass filtering capabilities, highlighting their potential in image‐sharpening applications. In particular, by synergistically modulating the photoconductivity and electrical gate bias, versatile logic capabilities are demonstrated within a single device, enabling it to flexibly perform both Boolean AND and OR gate operations. This work demonstrates a viable approach for Lewis acid‐treated TMDs to realize multifunctional photoelectric synapses for neuromorphic computing.
Over 10% Efficiency Pure Sulfide Kesterite Solar Cells on Transparent Electrode with Cd–Ag Co‐Alloying
Authors: Xu Aoqi , Li Xinyu , Liu Hongkun , Xiang Chunxu , Ma Chengfeng , Li Yize , Pan Xiangyu , Yan Weibo , Wang Shaoying , Huang Wei , Xin Hao 
Published: October 2024

AbstractThe environmentally friendly elements composed of high bandgap pure sulfide Cu2ZnSnS4 (CZTS) semiconductor has broad prospects for building integrated photovoltaic, double‐sided, and semi‐transparent solar cells when fabricated on transparent substrates. The key issues limiting the performance of CZTS solar cells are poor absorber quality and unfavorable band energy alignment causing serious charge carrier recombination. Here, thefabrication of CZTS solar cells are reported on fluorine‐doped tin oxide (FTO) substrates from dimethyl sulfoxide solution and the effects of the Cd and Ag alloying on device performance. Characterizations show that Cd alloying greatly decreases defect concentration and converts Cliff‐type band alignment to favorable Spike‐type, leading to greatly improved current density. Further, Ag alloying eliminates near‐horizontal grain boundaries and passivates defects in both bulk and heterojunction interface, resulting in a champion device with a power conversion efficiency of 10.3%, the highest efficiency pure sulfide CZTS solar cell on FTO substrate. The results demonstrate the great application potential of pure sulfide kesterite solar cells.
Efficient Nanofibrous Electromagnetic Wave Absorber Inspired by Spider Silk Hunting
Authors: Sun Ruiling , Ming Xiaoran , Yan Guilong , Wang Li , Cheng Jinbo , Zhang Xuezhong , Li Dong , Li Han , Li Zhenyu , Chen Jingyu , Wu Yuanpeng 
Published: October 2024

AbstractWith the rapid advancements in wireless communication and radar detection technologies, there has been a significant uptick in the utilization frequency of electromagnetic waves across both civilian and military sectors, consequently generating substantial electromagnetic radiation and interference. These electromagnetic pollutants present a considerable threat to public health and information security. Consequently, materials capable of absorbing and mitigating electromagnetic pollution have garnered significant attention. The nanomaterials with multiple components and various heterogeneous interfaces have been considered as preferred efficient electromagnetic wave (EMW) absorbers. In this work, carbon nanofibers doped with magnetic metal oxide particles (Co/Ni‐CNFs) are prepared by electrospinning and heat treatment. In these samples, the minimum reflection loss can reach −40.13 dB at 4.6 mm, and the widest effective absorption bandwidth is 4.4 GHz. The excellent microwave absorption is attributed to the appropriate impedance matching. The electromagnetic parameters of Co/Ni‐CNFs are balanced by adjusting the concentration of magnetic metal‐organic framework material (MOFs) in the precursor solution. It is believed that this work can provide a reference for developing lightweight, flexible, and robust electromagnetic wave‐absorbing materials.
Highly Reversible Conversion‐Type CoSn2 Cathode for Fluoride‐Ion Batteries
Authors: Sasano Shun , Ishikawa Ryo , Kawahara Kazuaki , Shibata Naoya , Ikuhara Yuichi 
Published: October 2024

AbstractAn all‐solid‐state fluoride‐ion battery (FIB) is one of the promising candidates for the next‐generation battery owing to its high energy density and high safety. For the practical application of FIBs, it is an urgent task to operate FIBs at lower temperatures. However, there are still two major difficulties in conventional conversion‐type pure metal cathodes: low F− ion conductivities and poor cycle stabilities. Here, the conversion‐type Sn‐based intermetallic alloy is proposed as a new cathode that can overcome the above issues. The present CoSn2 cathode retains the discharge capacity of 229 mAh g−1 after 250 cycles, even at 60 °C. CoSn2 is decomposed into CoF2 and SnF2 nanocrystals in the charging process, and the nanoscale network structure of SnF2 provides the fast F− ion conduction path throughout the cathode, facilitating the battery operation at lower temperatures. Moreover, the formed CoF2 and SnF2 phases are merged into the original CoSn2 phase in the discharging process, leading to a highly reversible redox reaction and the high cycle stability of CoSn2. These findings should pave the way to enhance the performance of all‐solid‐state FIBs at lower temperatures.
A Photo‐Assisted Zinc–Air Battery with MoS2/Oxygen Vacancies Rich TiO2 Heterojunction Photocathode
Authors: Wu Yongjian , Ding Yi , Chen Mengyu , Zhang Hui , Yu Jing , Jiang Tongtong , Wu Mingzai 
Published: October 2024

AbstractConverting solar energy into electrochemical energy is a sustainable strategy, but the design of photo‐assisted zinc–air battery (ZAB) with efficient utilization of sunlight faces huge challenges. Herein, a photo‐assisted ZAB of a three‐electrode system using MoS2/oxygen vacancies‐rich TiO2 heterojunction as charge cathode and Fe, N‐doped carbon matrix (FeNC) as discharge cathode is constructed, where MoS2 is chosen as solar light‐responsive catalytic material and TiO2 acts as electron transport layer and hole blocking layer, arising from a train of thought for efficient charging under sunlight irradiation and light‐independent discharging. The introduction of oxygen vacancies in TiO2 facilitates the temporary trapping of carriers and triggers rapid carrier transfer at the interface of the heterojunction, which hinders the recombination of photogenerated holes, thereby facilitating their further participation in the oxygen evolution reaction. Moreover, FeNC exhibits superior oxygen reduction reaction performance due to strong d‐π interactions. As a result, the well‐built ZABs deliver a low charge voltage (0.71 V) under illumination at 0.1 mA cm−2, and a high power density (167.6 mW cm−2) in dark. This work paves a special way for the development of ZABs by directly harvesting solar energy in charging and efficiently discharging regardless of lighting conditions.
Electrospun Co‐MoC Nanoparticles Embedded in Carbon Nanofibers for Highly Efficient pH‐Universal Hydrogen Evolution Reaction and Alkaline Overall Water Splitting
Authors: Zhang Shan , Le Fuhe , Jia Wei , Yang Xue , Hu Pengfei , Wu Xueyan , Shu Wanting , Xie Yanmei , Xiao Wuyang , Jia Dianzeng 
Published: October 2024

AbstractThe construction of highly efficient and self‐supported electrocatalysts with abundant active sites for pH‐universal hydrogen evolution reaction (HER) and alkaline water splitting is significantly challenging. Herein, Co and MoC nanoparticles embedded in nitrogen‐doped carbon nanofibers (Co‐MoC/NCNFs) which display a bamboo‐like morphology are prepared by electrospinning followed by the carbonization method. The electrospun MoC possesses an ultrasmall size (≈5 nm) which can provide more active sites during electrocatalysis, while the introduction of Co greatly optimizes the electronic structure of MoC. Both endow the Co‐MoC/NCNFs with superior HER performances over a wide pH range, with low overpotentials of 86, 116, and 145 mV to achieve a current density of 10 mA cm−2 in alkaline, acidic, and neutral media, respectively. Additionally, the catalyst exhibits remarkable alkaline oxygen evolution reaction (OER) activity with an overpotential of 254 mV to reach 10 mA cm−2. Density functional theory calculations confirm that electron transfer from Co to MoC regulates the adsorption free energy for hydrogen, thereby promoting HER. Moreover, an electrolyzer assembled with Co‐MoC/NCNFs requires only a cell voltage of 1.59 V at 10 mA cm−2 in 1 m KOH. This work opens new pathways for the design of high‐efficiency electrocatalysts for energy conversion applications.
Application of optimized polynomial controllers based on Bayesian optimization and weight matrix adjustment
Authors: Amirmojahedi Maryam , Shojaee Saeed , Hamzehei‐Javaran Saleh 
Published: October 2024

AbstractThis paper uses a polynomial controller with non‐linear performance that is a summation of polynomials in non‐linear states. The optimal performance of this controller depends to a large extent on the weighting matrices elements whose determination is not easy via analytical methods for high dimension control systems. This paper focuses on optimizing a polynomial controller applied to a 20‐story non‐linear benchmark building using the Bayesian optimization (BO). BO is a powerful strategy for optimizing functions that are expensive to evaluate. In setting up the optimization problem, design variables are the parameters of weighting matrices. The objective function is a ratio of the controlled and uncontrolled response for the maximum absolute acceleration of the building, and the maximum inter‐story drift is taken as the constraint. The efficiency of the proposed control scheme is tested on a 20‐story non‐linear benchmark building equipped with magnetorheological dampers. The considered evaluation criteria are compared with other control methods. The results show that the considered algorithm is desirable in reducing the maximum seismic response under different earthquakes.