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Highly Robust,Compressible,Anisotropic,and Fire-Retardant Polyimide/Hydroxyapatite Nanowires/Reduced Graphene Oxide Aerogel for Rapid Adsorption of Viscous Oil Assisted by Sunlight

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Research 2024年第4期7卷 58-70页

作者： Pan huang Yongxiang Sun Lin Yang Haoyu Yang Ying hu Jifang Liu xuwen Peng Hongbo Zeng Department of Chemical and Materials Engineering University of AlbertaEdmontonAlberta T6G 1H9Canada Heavy Machinery Engineering Research Center of Education Ministry Taiyuan University of Science and TechnologyTaiyuan 030024China Cancer Center The Fifth Affiliated HospitalGuangzhou Medical UniversityGuangzhou 510700China Department of Chemical Engineering Tsinghua UniversityBeijing 10084China

Improving the adsorption efficiency of porous adsorbent materials for organic liquids with high viscosity is crucial for addressing oil spill *** this study,a high-performance aerogel adsorbent composed of polyimide(PI),hydroxyapatite nanowires(HAPnws),and reduced graphene oxide(rGO)has been fabricated,which leverages reduced flow tortuosity through anisotropic structures and solar-assisted viscosity reduction via photothermal *** prepared anisotropic PI/HAP/rGO aerogel,with directional channels,shows unique mechanical properties with high stiffness along the axial direction and compressibility along the radial direction.

关键词： nanowires viscosity adsorbent

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Iodine-catalyzed intermolecular 1,2-thio (seleno)amination of alkenes with 1,2,3-triazoles and disulfides (diselenides) in air

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ORGANIC CHEMISTRY FRONTIERS 2024年第11期11卷 3066-3071页

作者： Ji, Jian Chen, xuwen hu, Zongjing Guan, Cong Liu, Jinhua Deng, Yaqi Liu, Shunying East China Normal Univ Shanghai Engn Res Ctr Mol Therapeut & New Drug De Sch Chem & Mol Engn Shanghai 200062 Peoples R China

An iodine-catalyzed direct radical coupling method for 1,2-thio (seleno)amination of alkenes with 1,2,3-triazoles and disulfides (diselenides) in air was developed. Products were constructed in one pot with high chemoselectivity and regioselectivity as well as a wide range of substrate scopes (including terminal and internal alkenes). Preliminary mechanistic studies indicated that formation of the C-N bond proceeded via a desulfonation-associated tandem radical cross-coupling process. Iodine-catalyzed 1,2-thio (seleno)amination of alkenes via direct N- and C-centered radical cross-coupling was established to elicit highly regioselective beta-triazolized thioalkyl compounds.

关键词： Olefins

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Corrosion behavior of Cu-40Zn alloy in a periodic service between simulating atmospheric and deep sea environment

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CORROSION REVIEWS 2025年第1期43卷 127-141页

作者： hu, Shengbo Liu, Zhong Yuan, xuwen Meng, Fandi Liao, Luhai Guo, Rui Yang, Wei Li, Fengguang Hubei Univ Automot Technol Sch Mat Sci & Engn Shiyan 442002 Peoples R China Hubei Key Lab Energy Storage & Power Battery Shiyan 442002 Peoples R China Northeastern Univ Shenyang Natl Lab Mat Sci 3-11 Wenhua Rd Shenyang 110819 Peoples R China

The corrosion behavior of Cu-40Zn alloy in a periodic service between simulating atmospheric and deep sea environment has been systematically studied. Results showed that a layer of protective corrosion products can be formed quickly and become defective over time. During the periodic service, the HP (high hydrostatic pressure) promotes the anodic dissolution of the base and the generation of (Cu, Zn)2(OH)3Cl, which causes expansion of the corrosion products;the AP (alternating pressure) facilitates the wetting process during dry to wet stage, and the alternating force caused by AP leads to the cracks, peeling off of the corrosion products. Severe intergranular corrosion takes place, which initiates at the beta phase and is accelerated by the combination of defective corrosion products and the drying stage.

关键词： Cu-Zn alloy periodic service hydrostatic pressure EIS

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Optimising maize threshing by integrating DEM simulation and interpretive enhanced predictive modelling

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BIOSYSTEMS ENGINEERING 2024年 244卷 93-106页

作者： Fang, xuwen Zhang, Jinsong Zhao, Xuelin Zhang, Li Zhou, Deyi Yu, Chunsheng hu, Wei Zhang, Qiang Jilin Univ Coll Biol & Agr Engn Changchun 130022 Peoples R China

Maize threshing is a complex and dynamic process, and optimisation of operating parameters is essential to improve threshing quality and efficiency. In this study, machine learning was combined with interpretability analysis to investigate the dynamic effects of operating parameters on maize threshing quality and to optimise the threshing process. The maize cob model used to simulate threshing was validated by stacking angle and tensile test. Real-time drum operating parameters and threshing quality data obtained through Discrete Element Method (DEM) threshing simulation were used to train a threshing quality prediction network. The prediction accuracy was improved by incorporating an attention mechanism into the Long Short-Term Memory (LSTM) model with an optimised Root Mean Square Error (RMSE) of 0.0041. The global feature importance and dynamic Shapley Additive Explanations (SHAP) value analyses demonstrated that rotational speed is a key determinant of unthreshed and damaged rates and that its effect varies significantly at different stages of the threshing process. Guided by these analyses, a staged speed adjustment experiment was conducted. Specifically, an increase in rotational speed during the initial threshing phase markedly lowered the initial unthreshed rate for medium and high-speed groups to 6.63% and 2.73%, respectively, a significant improvement over the 67.70% observed in the low-speed group. The final damage rate in the high-speed group decreased by 9.79% relative to the low-speed group. This dynamic analysis approach provides a novel paradigm for optimising complex agricultural processes under varying conditions, offering interpretable insights for precise process control and improvement.

关键词： Simulation Neural network forecast Game theory Agricultural optimisation Interpretable models Data-driven agriculture

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Cocrystals of axially N-embedded quasi-carbon nanohoops via modulating the electron affinity of guest acceptors

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SCIENCE CHINA-CHEMISTRY 2025年 1-8页

作者： Zhang, Li Qiu, Shuhai hu, Shunlong Xu, Hanren Sun, xuwen Jiang, Wei Qu, Da-hui Wang, Zhaohui East China Univ Sci & Technol Feringa Nobel Prize Scientist Joint Res Ctr Key Lab Adv Mat & Joint Int Res Lab Precis Chem & Sch Chem & Mol EngnInst Fine ChemFrontiers Sci C Shanghai 200237 Peoples R China Tsinghua Univ Dept Chem Key Lab Organ Optoelect & Mol Engn Beijing 100084 Peoples R China

Organic donor-acceptor cocrystals of pi-conjugated molecues have shown diverse applications in materials science. However, most cocrystals exist in neutral forms dominated by pi-pi interactions, while the ionic congeners and corresponding properties are rarely studied due to difficulties in harnessing the degree of charge transfer. Herein, we report cocrystals of axially N-embedded quasi-carbon nanohoops (DPP-D and DPP-T) with electron deficient guests. By modulating the electron affinity of the acceptor guests, the electronic structures of the complexes can be tuned from neutral to ionic states. Specifically, DPP-D interacts with TCNB molecules to form neutral superstructures via intermolecular pi-pi interactions, giving rise to a deep-red emission in the solid state. In contrast, an ionic complex showing near-infrared region absorptions and paramagnetic character on account of strong charge-transfer interactions is generated when DDQ molecules are involved. Their unique properties can be explained by different degrees of charge transfer and assembly modes, which have clearly been manifested by crystal structures and theoretical calculations. Our studies provide rare examples of pi-conjugated macrocycle-based donor-acceptor cocrystals in both neutral and ionic forms, and give insight to the design of multicomponent carbon nanomaterials.

关键词： n-doped carbon nanohoop donor-acceptor cocrystal charge transfer interaction ionic state

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Mechanistic insights into the selective photocatalytic degradation of dyes over TiO_(2)/ZSM-11

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Frontiers of Environmental Science & Engineering 2023年第8期17卷 127-136页

作者： Zhou Zhang Kai huo Tingxuan Yan xuwen Liu Maocong hu Zhenhua Yao Xuguang Liu Tao Ye Department of Chemical Engineering Jianghan UniversityWuhan 430056China College of Materials Science and Engineering Qingdao University of Science and TechnologyQingdao 266042China Department of Civil and Environmental Engineering South Dakota School of Mines and TechnologyRapid CitySD 57701USA State Key Laboratory of Precision Blasting Jianghan UniversityWuhan 430056China

Photocatalytic degradation is a promising way to eliminate dye *** this work,a series of TiO2/ZSM-11(TZ)nanocomposites were prepared using a facile solid state dispersion *** orange(MO),methylene blue(MB),and rhodamine B(RhB)were intentionally chosen as target substrates in the photocatalytic degradation *** to pristine TiO2,negative effect was observed on MO degradation while promoted kinetics were collected on MB and RhB over TZ ***,a much higher photocatalytic rate was interestingly achieved on RhB than MB,which indicated that a new factor has to be included other than the widely accepted electrostatic interaction mechanism to fully understand the selective photodegradation *** characterizations showed that TiO2 and ZSM-11 physically mixed and maintained both the whole framework and local structure without chemical *** different trends observed in surface area and the photo-absorption ability of TZ composites with reaction performance further excluded both as the promotion ***,adsorption energies predicted by molecular dynamics simulations suggested that differences in the adsorption strength played a critical *** work provided a deep mechanistic understanding of the selective photocatalytic degradation of dyes reactions,which helps to rationally design highly efficient photocatalysts.

关键词： Selective dye degradation Photocatalysis TiO2 ZSM-11 Chemisorption

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Copper-Catalyzed Intermolecular 1,2-Carbotriazolization of Alkenes with N-Sulfonyl-1,2,3-Triazoles and Aldehydes

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ACS SUSTAINABLE CHEMISTRY & ENGINEERING 2023年第45期11卷 16240-16248页

作者： Ji, Jian hu, Zongjing Guan, Cong Liu, Jinhua Deng, Yaqi Chen, xuwen Liu, Shunying East China Normal Univ Shanghai Engn Res Ctr Mol Therapeut & New Drug Dev Sch Chem & Mol Engn Shanghai 200062 Peoples R China

The first efficient example of the 1,2-carbotriazolization of alkenes with N-sulfonyl-1,2,3-triazoles and aldehydes was developed as an appealing strategy for producing beta-triazolized ketones via a copper-catalyzed radical relay process. The products were constructed in one pot with high regioselectivity and chemoselectivity as well as a wide range of substrate scopes, including aromatic and aliphatic aldehydes and alcohols. Preliminary mechanistic study indicates that the reaction proceeds via an SN2-like tandem radical relay desulfonation process. The resulting beta-triazolized ketone scaffold shows a good and selective inhibitory activity on osteosarcoma (OS) cell lines at 10 mu M, which is promising for use as an efficient pharmacophore for drug discovery.

关键词： 1,2-carboamination 1,2-carbotriazolization radical relay 1,2,3-triazoles desulfonation

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Pioneering Insights into the Reaction Kinetics of Metastable Intermolecular Composites Based on Metal Fluorides: Virtually non-existent condensed Phase Combustion Products and Ultra-Efficient Reactivity

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ADVANCED SCIENCE 2025年第14期12卷 e2415073页

作者： Liu, xuwen Li, Jingwei Feng, Shenghua Jia, Yongsheng hu, Maocong Yao, Yingkang Sun, Jinshan Xie, Quanmin Sang, Hongqian Jianghan Univ State Key Lab Precis Blasting Wuhan 430113 Peoples R China Jianghan Univ Hubei Key Lab Blasting Engn Wuhan 430056 Peoples R China Anhui Univ Sci & Technol Sch Chem & Blasting Engn Huainan 232001 Peoples R China Jianghan Univ Sch Optoelect Mat & Technol Wuhan 430056 Peoples R China

As a typical representative of Metastable intermolecular composites (MICs), the energy release of nano-thermites relying on aluminum-oxygen reaction is limited by the formation of high boiling point condensed phase products. Low pressure output performance constitutes another pivotal factor influencing their efficacy. In this work, metal fluorides BiF3 at different scales were incorporated into nano-thermites as oxidants, thereby facilitating the tunability of the released energy. The boiling points of all resultant reaction products fall below the combustion temperature, theoretically abolishing the agglomeration of condensed-phase products, thus preventing the entrapment of active metals. Additionally, it facilitates the smooth conduction of heat flux, thereby averting losses in biphasic flow dynamics. The n-Al/n-BiF3 system exhibits a significant amplification in reactive kinetic properties in stark contrast to the n-Al/n-Bi2O3 system. The reduction in ignition threshold is ascribed to a novel reaction kinetics mechanism within the n-Al/BiF3 system. The highly electronegative fluorine within BiF3 corrodes the Al2O3 shell, inducing a "pre-ignition" reaction. The application of Density Functional Theory (DFT) evaluations has further corroborated the n-Al/n-BiF3 system's preeminence in electron transfer capacity between the oxidizing agent and fuel, thereby furnishing an molecular-electronic basis for its potent reactive kinetic properties.

关键词： combustion mechanism metal fluorides metastable intermolecular composites nanostructured energetic materials pre-ignition reactions

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Discovery of potent thiazolidin-4-one sulfone derivatives for inhibition of proliferation of osteosarcoma in vitro and in vivo

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EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY 2024年 266卷 116082页

作者： Chen, xuwen Luo, Zhengli hu, Zongjing Sun, Donghui He, Yingying Lu, Jiani Chen, Lili Liu, Shunying East China Normal Univ Shanghai Engn Res Ctr Mol Therapeut & New Drug Dev Sch Chem & Mol Engn Shanghai 200062 Peoples R China Shanghai Univ Tradit Chinese Med Inst Interdisciplinary Integrat Med Res Shanghai Frontiers Sci Ctr TCM Chem Biol Shanghai 201203 Peoples R China

Chemotherapy combining with surgical treatment has been the main strategy for osteosarcoma treatment in clinical. Due to unclear pathogenesis and unidentified drug targets, significant progress has not been made in the development of targeted drugs for osteosarcoma during the past 50 years. Our previous discovery reported compound R-8i with a high potency for the treatment of osteosarcoma by phenotypic screening. However, both the metabolic stability and bioavailability of R-8i are poor (T1/2 = 5.36 min, mouse liver microsome;and bioavailability in vivo F = 52.1 %, intraperitoneal administration) which limits it use for further drug development. Here, we described an extensive structure-activity relationship study of thiazolidine-4-one sulfone inhibitors from R-8i, which led to the discovery of compound 68. Compound 68 had a potent cellular activity with an IC50 value of 0.217 mu M, much higher half-life (T1/2 = 73.8 min, mouse liver microsome) and an excellent pharmacokinetic profile (in vivo bioavailability F = 115 %, intraperitoneal administration). Compound 68 also showed good antitumor effects and low toxicity in a xenograft model (44.6 % inhibition osteosarcoma growth in BALB/c mice). These results suggest that compound 68 is a potential drug candidate for the treatment of osteosarcoma.

关键词： Osteosarcoma Thiazolidin-4-one sulfone Inhibitors Structure -activity relationship

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Maize kernel damage dynamic prediction in threshing through PSO-LSTM and discrete element modelling

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BIOSYSTEMS ENGINEERING 2024年 242卷 179-195页

作者： Fang, xuwen Zhang, Jinsong Zhao, Xuelin Zhang, Qiang Zhang, Li Zhou, Deyi Yu, Chunsheng hu, Wei Wang, Hao Jilin Univ Coll Biol & Agr Engn Changchun 130022 Peoples R China

This study presents the development of a maize ear model and a predictive approach for kernel damage in maize threshing, integrating physical simulation and predictive analytics to understand better and forecast threshingrelated damage. First, a maize ear model was developed to analyse kernel damage during threshing. Through the angle of repose experiments, the optimal number of spheres for the kernel model was established as 65. Tensile tests were conducted to evaluate the kernel-cob bond strength, revealing an average relative error in the bonding force of 8.71%. Vogel impact energy modelling was applied to the kernel threshing process to determine kernel damage. The correlation between the speed of seed grain movement and the occurrence of damage was analysed by post-processing to identify locations with frequent kernel damage in the drum. In-depth data analysis of kernel damage in the threshing drum further elucidates the inherent relationship between kernel velocity and damage extent. The study then focused on applying neural networks to predict damage rates. The comparative evaluation shows that the PSO-LSTM model has better prediction accuracy than LSTM and RNN models, with the PSO-LSTM network achieving an RMSE of 0.096, a R2 of 99.96%, and a final damage rate of 2.41% in validation tests. Threshing experiments were conducted to verify the model, showing a 1.4% discrepancy between predicted and actual damage rates. This study proposes a kernel damage prediction model and provides new insights and directions for the structural design of threshing drums.

关键词： Maize threshing Kernel damage prediction Machine learning in agriculture Agricultural automation LSTM network

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