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Insight into the adsorption behavior and mechanism of trace impurities from H_(2)O_(2) solution on functionalized zirconia by tuning the structure of amino groups

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Frontiers of Chemical Science and Engineering 2024年第5期18卷 83-94页

作者： Yu Meng Yitong Wang Guozhu Li Guozhu Liu Li Wang key laboratory for Green Chemical Technology of ministry education School of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China Haihe laboratory of sustainable Chemical Transformations Tianjin 300192China

Primary,secondary and tertiary amino-functionalized zirconia(ZrO_(2)-NH_(2),ZrO_(2)-NH and ZrO_(2)-N)was synthesized by the postgrafting method for the adsorption removal of typical metallic ions,phosphate and total oxidizable carbon from a real H_(2)O_(2) ***_(2)-NH_(2),ZrO_(2)-NH and ZrO_(2)-N exhibited similar pore sizes and sequentially increased zeta *** adsorption results of single and binary simulated solutions showed that the removal efficiency increased in the order of Fe^(3+)>Al^(3+)>Ca^(2+)>Na^(+).There is competitive adsorption between metallic ions,and Fe^(3+) has an advantage over the other metals,with a removal efficiency of 90.7%.The coexisting phosphate could promote the adsorption of metallic ions,while total oxidizable carbon had no effect on *** adsorption results of the real H_(2)O_(2)solution showed that ZrO_(2)-NH_(2) exhibited the best adsorption affinity for metallic ions,as did phosphate and total oxidizable carbon,with a total adsorption capacity of 120.9 mg·g_(-1).Density functional theory calculations revealed that the adsorption process of metallic ions involves electron transfer from N atoms to metals and the formation of N-metal bonds.

关键词： adsorption metallic ion phosphate total oxidizable carbon zirconia H_(2)O_(2)

Ultrafast micro/nano-manufacturing of metastable materials for energy

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National Science Review 2024年第4期11卷 283-298页

作者： Xiaoya Cui Yanchang Liu Yanan Chen School of Materials Science and Engineering Key Laboratory of Advanced Ceramics and Machining Technology(Ministry of Education) and Tianjin Key Laboratory of Composite and Functional MaterialsTianjin University ministry of education key laboratory of Protein Sciences School of Life SciencesTsinghua University

The structural engineering of metastable nanomaterials with abundant defects has attracted much attention in energy-related fields. The high-temperature shock(HTS) technique, as a rapidly developing and advanced synthesis strategy, offers significant potential for the rational design and fabrication of high-quality nanocatalysts in an ultrafast, scalable, controllable and eco-friendly way. In this review, we provide an overview of various metastable micro-and nanomaterials synthesized via HTS, including single metallic and bimetallic nanostructures, high entropy alloys, metal compounds(e.g. metal oxides) and carbon nanomaterials. Note that HTS provides a new research dimension for nanostructures, i.e. kinetic modulation. Furthermore, we summarize the application of HTS—as supporting films for transmission electron microscopy grids—in the structural engineering of 2D materials, which is vital for the direct imaging of metastable materials. Finally, we discuss the potential future applications of high-throughput and liquid-phase HTS strategies for non-equilibrium micro/nano-manufacturing beyond energy-related *** is believed that this emerging research field will bring new opportunities to the development of nanoscience and nanotechnology in both fundamental and practical aspects.

关键词： high-temperature shock technique defect engineering metastable phase kinetic modulation non-equilibrium micro/nano-manufacturing

Integrated multi-scale approach combining global homogenization and local refinement for multi-field analysis of high-temperature superconducting composite magnets

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Applied Mathematics and Mechanics(English Edition) 2024年第5期45卷 747-762页

作者： Hanxiao GUO Peifeng GAO Xingzhe WANG key laboratory of Mechanics on Western Disaster and Environment of ministry of education Key Laboratory of Special Function Materials and Structure Design of Ministry of EducationCollege of Civil Engineering and MechanicsLanzhou UniversityLanzhou 730000China

Second-generation high-temperature superconducting(HTS)conductors,specifically rare earth-barium-copper-oxide(REBCO)coated conductor(CC)tapes,are promising candidates for high-energy and high-field superconducting *** respect to epoxy-impregnated REBCO composite magnets that comprise multilayer components,the thermomechanical characteristics of each component differ considerably under extremely low temperatures and strong electromagnetic *** numerical models include homogenized orthotropic models,which simplify overall field calculation but miss detailed multi-physics aspects,and full refinement(FR)ones that are thorough but computationally ***,we propose an extended multi-scale approach for analyzing the multi-field characteristics of an epoxy-impregnated composite magnet assembled by HTS pancake *** approach combines a global homogenization(GH)scheme based on the homogenized electromagnetic T-A model,a method for solving Maxwell's equations for superconducting materials based on the current vector potential T and the magnetic field vector potential A,and a homogenized orthotropic thermoelastic model to assess the electromagnetic and thermoelastic properties at the macroscopic *** then identify“dangerous regions”at the macroscopic scale and obtain finer details using a local refinement(LR)scheme to capture the responses of each component material in the HTS composite tapes at the mesoscopic *** results of the present GH-LR multi-scale approach agree well with those of the FR scheme and the experimental data in the literature,indicating that the present approach is accurate and *** proposed GH-LR multi-scale approach can serve as a valuable tool for evaluating the risk of failure in large-scale HTS composite magnets.

关键词： epoxy-impregnated high-temperature superconducting(HTS)magnet multi-scale method global homogenization(GH) local refinement(LR) multi-field analysis

The miR159a-DUO1 module regulates pollen development by modulating auxin biosynthesis and starch metabolism in citrus

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Journal of Integrative Plant Biology 2024年第7期66卷 1351-1369页

作者： Yanhui Xu Wenxiu Tian Minqiang Yin Zhenmei Cai Li Zhang Deyi Yuan Hualin Yi Juxun Wu National key laboratory for Germplasm Innovation&Utilization of Horticultural Crops Huazhong Agricultural UniversityWuhan 430070China key laboratory of Cultivation and Protection for Non‐Wood forest Trees of the ministry of education and key laboratory of Non‐Wood forest Products of the forestry ministry Central South University of Forestry and TechnologyChangsha 410004China

Achieving seedlessness in citrus varieties is one of the important objectives of citrus *** sterility associated with abnormal pollen development is an important factor in ***,our understanding of the regulatory mechanism underlying the seedlessness phenotype in citrus is still ***,we determined that the miR159a-DUO1 module played an important role in regulating pollen development in citrus,which further indirectly modulated seed development and fruit *** the overexpression of csi-miR159a and the knocking out of DUO1 in Hong Kong kumquat(Fortunella hindsii)resulted in small and seedless fruit ***,pollen was severely aborted in both transgenic lines,with arrested pollen mitotic I and abnormal pollen starch *** additional cross-pollination experiments,DUO1 was proven to be the key target gene for miR159a to regulate male sterility in *** on DNA affinity purification sequencing(DAP-seq),RNA-seq,and verified interaction assays,YUC2/YUC6,SS4 and STP8 were identified as downstream target genes of DUO1,those were all positively regulated by *** transgenic *** lines,the miR159a-DUO1 module down-regulated the expression of YUC2/YUC6,which decreased indoleacetic acid(IAA)levels and modulated auxin signaling to repress pollen mitotic *** miR159a-DUO1 module reduced the expression of the starch synthesis gene SS4 and sugar transport gene STP8 to disrupt starch metabolism in ***,this work reveals a new mechanism by which the miR159a-DUO1 module regulates pollen development and elucidates the molecular regulatory network underlying male sterility in citrus.

关键词： auxin citrus male sterility miRNA pollen development seedlessness starch metabolism

Homogenous coating of Li^(+)conductive Li_(5)AlO_(4)on single-crystalline nonstoichiometric Li_(1.04)Ni_(0.92)Al_(0.04)O_(2)for rechargeable lithium-ion batteries

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Journal of Energy Chemistry 2024年第8期95卷 651-659,I0014页

作者： Guoyu Ding Shizhou Wang Jinhan Li Ziyan Wu Jiayu Chen Jiayong Du Xinhui Huang Kuiming Liu Yudong Zhang Zhonghan Wu Yiyang Peng Qiancheng Zhao Meng Yu Fangyi Cheng key laboratory of Advanced Energy Materials Chemistry(ministry of education) Engineering Research Center of High-efficiency Energy Storage(Ministry of Education)College of ChemistryNankai UniversityTianjin 300071China State key laboratory of Advanced Chemical Power Sources Nankai UniversityTianjin 300071China Haihe laboratory of sustainable Chemical Transformations Tianjin 300192China

Cobalt-free,nickel-rich LiNi_(1-x)Al_(x)O_(2)(x≤0.1)is an attractive cathode material because of high energy density and low cost but suffers from severe structural degradation and poor rate *** this study,we propose a molten salt-assisted synthesis in combination with a Li-refeeding induced aluminum segregation strategy to prepare Li_(5)AlO_(4)-coated single-crystalline slightly Li-rich Li_(1.04)Ni_(0.92)Al_(0.04)O_(2).The symbiotic formation of Li_(5)AlO_(4)from reaction between molten lithium hydroxide and doped aluminum in the bulk ensures a high lattice matching between the Ni-rich oxide and the homogenous conductive Li_(5)AlO_(4)that permits high Li^(+)*** from mitigated undesirable side reactions and phase evolution,the Li_(5)AlO_(4)-coated single-crystalline Li_(1.04)Ni_(0.92)Al_(0.04)O_(2)delivers a high specific capacity of220.2 mA h g^(-1)at 0.1 C and considerable rate capability(182.5 mA h g^(-1)at 10 C).Besides,superior capacity retention of 90.8%is obtained at 1/3 C after 100 cycles in a 498.1 mA h pouch full ***,the particulate morphology of Li_(1.04)Ni_(0.92)Al_(0.04)O_(2)remains intact after cycling at a cutoff voltage of 4.3 V,whereas slightly Li-deficient Li_(0.98)Ni_(0.97)Al_(0.05)O_(2)features intragranular cracks and irreversible lattice *** results highlight the value of molten salt-assisted synthesis and Li-refeeding induced elemental segregation strategy to upgrade Ni-based layered oxide cathode materials for advanced Li-ion batteries.

关键词： Aluminum segregation Surface coating Nonstoichiometric oxides Molten synthesis Cathode materials

Recent advances in protein conformation sampling by combining machine learning with molecular simulation

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Chinese Physics B 2024年第3期33卷 80-87页

作者：唐一鸣杨中元姚逸飞周运谈圆王子超潘瞳熊瑞孙俊力韦广红 Department of Physics State Key Laboratory of Surface Physicsand Key Laboratory for Computational Physical Sciences (Ministry of Education)Shanghai 200438China

The rapid advancement and broad application of machine learning(ML)have driven a groundbreaking revolution in computational *** of the most cutting-edge and important applications of ML is its integration with molecular simulations to improve the sampling efficiency of the vast conformational space of large *** review focuses on recent studies that utilize ML-based techniques in the exploration of protein conformational *** first highlight the recent development of ML-aided enhanced sampling methods,including heuristic algorithms and neural networks that are designed to refine the selection of reaction coordinates for the construction of bias potential,or facilitate the exploration of the unsampled region of the energy ***,we review the development of autoencoder based methods that combine molecular simulations and deep learning to expand the search for protein ***,we discuss the cutting-edge methodologies for the one-shot generation of protein conformations with precise Boltzmann ***,this review demonstrates the promising potential of machine learning in revolutionizing our insight into the complex conformational ensembles of proteins.

关键词： machine learning molecular simulation protein conformational space enhanced sampling

Investigation of mechanical and electrical characteristics of selfsensing pneumatic torsional actuators

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Science China(Technological Sciences) 2024年第1期67卷 130-142页

作者： XIAO Wei HU DeAn HU GuoLiang XIAO YiHua key laboratory of Conveyance and Equipment Ministry of EducationEast China Jiaotong UniversityNanchang 330013China key laboratory of Advanced Design and Simulation Techniques for Special Equipment Ministry of EducationHunan UniversityChangsha 410082China

Soft pneumatic actuators are one of the most promising actuation for soft robots,and great achievements have been *** it remains challenging to endow sensing capabilities to pneumatic actuators,especially for the sensing ability originating directly from the actuator ***,a self-sensing pneumatic torsional actuator(SPTA)is designed based on the electromagnetic induction effect and magnetically responsive *** SPTA can generate feedback voltage and current with the deformation,in which the sensing function comes from its inherent *** investigate the mechanical and electrical characteristics,an experimental platform and a finite element model are established,*** find that the torsion angle and output torque increase in nonlinear with the actuating *** maximum torsion angle is 66.35°,which is 84.34%of that for the actuator fabricated by pure *** maximum output torque(24.9 N mm)improves by 23.19%compared with the actuator made by pure *** regards the electrical characteristics,the maximum feedback voltage and current are 2.90μV and 29.50 nA when the SPTA is actuated by a pressure of−40 *** also demonstrate that the relationship between the torsion angle and the magnetic flux change is approximately ***,the number of turns of wires,magnetic powders contents,and magnetic direction on the feedback voltage and current are *** show that the feedback voltage and current can be enhanced by increasing the number of turns and magnetic powders *** envision that the SPTA would be promising for soft robots to realize their accuracy control and intelligentization.

关键词： pneumatic torsional actuators self-sensing feedback voltage finite element modeling soft robots

Cross-linkedα-amylase aggregates on Fe3O4 magnetic nanoparticles modified with polydopamine/polyethyleneimine for efficient hydrolysis of starch

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Particuology 2024年第7期90卷 98-105页

作者： Jiandong Cui Xiuming Tang Qingqing Ma Yuyan Chang Qunli Zhang Shiru Jia State key laboratory of Food Nutrition and Safety Laboratory of Industrial Fermentation MicrobiologyMinistry of EducationTianjin University of Science and TechnologyTianjin 300457China key laboratory of Biomass Chemical Engineering of ministry of education Zhejiang UniversityHangzhou 310027China

In this workα-amylase was immobilized on magnetic Fe3O4 nanoparticles with polyethylenimine(PEI)/polydopamine(PDA)coating or 3-aminopropyl triethoxysilane(APTES)for the first time via adsorption–precipitation–*** with the freeα-amylase,the resultant magnetic cross-linkedα-amylase aggregates(PEI/PDA-M-CLEAs and N-M-CLEAs)exhibited excellent thermal and storage stability as well as pH *** storage at 25°C for 60 days,freeα-amylase only retained 60%of its initial activity,while PEI/PDA-M-CLEAs and N-M-CLEAs retained 80%and 78%of their initial activities,***,N-M-CLEAs and PEI/PDA-M-CLEAs showed good *** 6 repeated uses,PEI/PDA-M-CLEAs and N-M-CLEAs still maintained 65%and 62%of their initial activities,***,PEI/PDA-M-CLEAs and N-M-CLEAs exhibited higher starch hydrolysis efficiency than freeα-*** maximum dextrose equivalent(DE)values of starch hydrolysis by PEI/PDA-M-CLEAs and N-M-CLEAs reached 29.24%and 28.79%within 90 min,***,the maximum DE values of starch hydrolysis by the freeα-amylase was only 27.89%even in 150 *** magnetic cross-linkedα-amylase aggregates could be introduced as effective biocatalyst for industrial applications in production of maltose syrups.

关键词： α-amylase Magnetic nanoparticles Functional modification Magnetic cross-linked enzyme aggregates Hydrolysis of starch

MHz cut-off frequency and permeability mechanism of iron-based soft magnetic composites

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Chinese Physics B 2024年第9期33卷 560-564页

作者： Xiao-Wei Jin Tong Li Hui-Gang Shi De-Sheng Xue key laboratory for Magnetism and Magnetic Materials of the ministry of education LanzhouUniversityLanzhou 730000China

The lack of soft magnetic composites with high power density in MHz frequency range has become an obstacle in the efficient operation of the electrical and electronic ***,a promising method to increase the cut-off frequency of iron-based soft magnetic composites to hundreds of MHz is *** cut-off frequency is increased from 10 MHz to 1 GHz by modulating the height of the ring,the distribution of particles,and the particle *** mechanism of cut-off frequency and permeability is the coherent rotation of domain modulated by inhomogeneous field due to the eddy current *** empirical formula for the cut-off frequency in a magnetic ring composed of iron-based particles is established from experimental *** work provides an effective approach to fabricate soft magnetic composites with a cut-off frequency in hundreds of MHz.

关键词： cut-off frequency permeability eddy current effect soft magnetic composites