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Methyl Groups Pendant on Triphenylmethane Toward Modulating Thermal Stability and Dielectric Properties of the Crosslinkable Fluorinated Polyimide Films with High Transparency

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Chinese Journal of Polymer Science 2025年第2期43卷 316-327页

作者： Wen Yang liang yuan Kai Gong Ruo-Han Zhang Lan Lei Hui li School of Chemistry and Chemical Engineering Shandong Key Laboratory of Fluorine Chemistry and Chemical Engineering MaterialsUniversity of JinanJinan250022China School of Materials Science and Engineering Tianjin Key Laboratory of Composite and Functional MaterialsTianjin UniversityTianjin300350China

It is urgent to develop high-performance polyimide(PI)films that simultaneously exhibit high transparency,exceptional thermal stability,mechanical robustness,and low dielectric to fulfil the requirements of flexible display ***,a series of fluorinated polyimide films(FPIs)were fabricated by the condensation of 5,5′-(perfluoropropane-2,2-diyl)bis(isobenzofuran-1,3-dione)(6FDA)and the fluorinated triphenylmethane diamine monomer(EDA,MEDA and DMEDA)with heat-crosslinkable tetrafluorostyrene side groups,which was incorporated by different numbers of methyl groups pendant in the ortho position of amino ***,the FPI films underwent heating to produce crosslinking FPIs(C-FPIs)through the self-crosslinking of double bonds in the *** transparency,solvent resistance,thermal stability,mechanical robustness and dielectric properties of FPI and C-FPI films can be tuned by the number of methyl groups and crosslinking,which were deeply investigated by virtue of molecular dynamics(MD)simulations and density functional theory(DFT).As a result,all the films exhibited exceptional optically colorless and transparent,with transmittance in the visible region of 450-700 nm exceeding 79.9%,and the cut-off wavelengths(λ_(off))were nearly 350 *** thermal decomposition temperatures at 5% weight loss(T_(d5%))for all samples exceeded 504℃.These films exhibited a wide range of tunable tensile strength(46.5-75.1 MPa).Significantly,they showed exceptional dielectric properties with the dielectric constant of 2.3-2.5 at full frequency(10^(7)-20 Hz).This study not only highlights the relationship between the polymer molecular structure and properties,but offer insights for balancing optical transparency,heat resistance and low dielectric constant in PI films.

关键词： Crosslinkable fluorinated polyimide Methyl group Triphenylmethane Transparency Thermal stability Low dielectric constant

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A Mn-porphyrinic metal–organic framework immobilizing glucose oxidase for combined photodynamic/chemodynamic/starvation therapy

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Tungsten 2025年第1期7卷 183-194页

作者： Xin-Ran Sun Hao-Ming yuan Guo-Da Zhang Chao Wang Shu-Juan Sun Peng-Fei shi Shandong Provincial Key Laboratory of Detection Technology for Tumor Markers School of Chemistry and Chemical Engineering Linyi University

The combination of photodynamic therapy（PDT） and chemodynamic therapy（CDT） in tumor treatment has attracted considerable ***,tumor hypoxia and glutathione（GSH） overproduction in the tumor tissue restricted the progress of their ***,a Mn-porphyrinic metal-organic framework（Mn-TCPP） was constructed by the one-pot method and further used for immobilizing glucose oxidase（GOx） to obtain GOx@*** would rapidly exhaust endogenous glucose into hydrogen peroxide（H2O2） and gluconic acid,thus shutting off the energy supply of tumor cells for starvation ***-TCPP catalyzed H2O2to produce oxygen,regulating the hypoxic tumor microenvironment and in turn improving1O2generation under laser ***,Mn-TCPP can reduce reactive oxygen species consumption owing to the redox reaction between Mn3+and GSH,thus greatly enhancing ***,benefiting from GOx-mediated starvation therapy,Mn2+produced by Mn3+reduction can react with sufficient intracellular H2O2to generate ·OH with high cytotoxicity through a Fenton-like *** treatment by GOx@Mn-TCPP under laser irradiation in vitro,the cell viability of 4T1 and A549 tumor cells reached to 20%,reflecting GOx@Mn-TCPP could give full play to the advantages of PDT/CDT/starvation *** results in vivo demonstrated that GOx@Mn-TCPP mediated synergistic cascade therapy could significantly inhibit tumor growth and improve the therapeutic effect.

关键词： Chemodynamic therapy Immobilizing enzyme Metal–organic frameworks Photodynamic therapy Starvation therapy

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Peripheral mitochondrial DNA as a neuroinflammatory biomarker for major depressive disorder

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Neural Regeneration Research 2025年第6期20卷 1541-1554页

作者： Jinmei Ye Cong Duan Jiaxin Han Jinrong Chen Ning Sun yuan li Tifei yuan Daihui Peng Division of Mood Disorder Shanghai Mental Health CenterShanghai Jiao Tong University School of MedicineShanghaiChina Department of Psychiatry First Hospital of Shanxi Medical UniversityTaiyuanShanxi ProvinceChina Shanghai Key Laboratory of Psychotic Disorders Brain Health InstituteNational Center for Mental DisordersShanghai Mental Health CenterShanghai Jiao Tong University School of MedicineShanghaiChina Co-Innovation Center of Neuroregeneration Nantong UniversityNantongJiangsu ProvinceChina

In the pathogenesis of major depressive disorder, chronic stress-related neuroinflammation hinders favorable prognosis and antidepressant response. Mitochondrial DNA may be an inflammatory trigger, after its release from stress-induced dysfunctional central nervous system mitochondria into peripheral circulation. This evidence supports the potential use of peripheral mitochondrial DNA as a neuroinflammatory biomarker for the diagnosis and treatment of major depressive disorder. Herein, we critically review the neuroinflammation theory in major depressive disorder, providing compelling evidence that mitochondrial DNA release acts as a critical biological substrate, and that it constitutes the neuroinflammatory disease pathway. After its release, mitochondrial DNA can be carried in the exosomes and transported to extracellular spaces in the central nervous system and peripheral circulation. Detectable exosomes render encaged mitochondrial DNA relatively stable. This mitochondrial DNA in peripheral circulation can thus be directly detected in clinical practice. These characteristics illustrate the potential for mitochondrial DNA to serve as an innovative clinical biomarker and molecular treatment target for major depressive disorder. This review also highlights the future potential value of clinical applications combining mitochondrial DNA with a panel of other biomarkers, to improve diagnostic precision in major depressive disorder.

关键词： biomarker cytokine exosomes inflammasome major depressive disorder microglia mitochondrial DNA mitochondrial dysfunction neuroinflammation Toll-like receptor

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Auxiliary-field Monte Carlo method for frustrated spin systems

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Chinese Physics B 2025年第2期34卷 118-122页

作者： Ning Cai yuan Gao Wei li Yang Qi State Key Laboratory of Surface Physics and Department of Physics Fudan UniversityShanghai 200433China School of Physics Beihang UniversityBeijing 100191China Institute of Theoretical Physics Chinese Academy of SciencesBeijing 100190China Peng Huanwu Collaborative Center for Research and Education Beihang UniversityBeijing 100191China

We extend a semiclassical numerical method, bosonic auxiliary-field Monte Carlo, to quantum spin systems. This method breaks the lattice into clusters, solves each cluster precisely and couples them with classical auxiliary fields through classical Monte Carlo simulation. We test the method with antiferromagnetic spin models in one-dimensional chains, square lattices and triangular lattices, and obtain reasonable results at finite temperatures. This algorithm builds a bridge between classical Monte Carlo method and quantum methods. The algorithm can be improved with either progress in classical Monte Carlo sampling or the development of quantum solvers, and can also be further applied to systems with different lattices or interactions.

关键词： Monte Carlo quantum many-body system frustrated magnets

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Large language models:game-changers in the healthcare industry

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Science Bulletin 2025年第3期70卷 283-286页

作者： Bin Dong li Zhang Jiajia yuan Yang Chen Quanzheng li lin Shen Beijing International Center for Mathematical Research Peking UniversityBeijing 100871China Center for Machine Learning Research Peking UniversityBeijing 100871China Peking University Changsha Institute for Computing and Digital Economy Changsha 410205China Center for Data Science Peking UniversityBeijing 100871China Department of Gastrointestinal Oncology Key Laboratory of Carcinogenesis and Translational Research(Ministry of Education/Beijing)Peking University Cancer Hospital and InstituteBeijing 100142China Massachusetts General Hospital Boston 02114-2696USA Harvard Medical School Boston 02115USA

The healthcare industry faces core challenges,including increasingly complex operational processes and entities,the rapid development of medical knowledge,and the rising demand for interdisciplinary *** complexity of medical processes is evident in every aspect,from patient appointments,diagnoses,and treatments to follow-up tasks,all of which involve intricate data processing and decision-making procedures.

关键词： industry expertise evident

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Concurrently Boosting Activity and Stability of Oxygen Reduction Reaction Catalysts via Judiciously Crafting Fe-Mn Dual Atoms for Fuel Cells

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Nano-Micro Letters 2025年第4期17卷 275-289页

作者： Lei Zhang Yuchen Dong Lubing li Yuchuan shi Yan Zhang liting Wei Chung-li Dong Zhiqun lin Jinzhan Su International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi’an Jiaotong UniversityXi’an 710049People’s Republic of China Department of Physics Tamkang UniversityNew Taipei CityTaiwan 25137People’s Republic of China Department of Chemical and Biomolecular Engineering National University of SingaporeEngineering Drive 4Singapore 117585Singapore

The ability to unlock the interplay between the activity and stability of oxygen reduction reaction(ORR)represents an important endeavor toward creating robust ORR catalysts for efficient fuel ***,we report an effective strategy to concurrent enhance the activity and stability of ORR catalysts via constructing atomically dispersed Fe-Mn dualmetal sites on N-doped carbon(denoted(FeMn-DA)-N-C)for both anion-exchange membrane fuel cells(AEMFC)and proton exchange membrane fuel cells(PEMFC).The(FeMn-DA)-N-C catalysts possess ample dual-metal atoms consisting of adjacent Fe-N_(4)and Mn-N_(4)sites on the carbon surface,yielded via a facile doping-adsorption-pyrolysis *** introduction of Mn carries several advantageous attributes:increasing the number of active sites,effectively anchoring Fe due to effective electron transfer to Mn(revealed by X-ray absorption spectroscopy and density-functional theory(DFT),thus preventing the aggregation of Fe),and effectively circumventing the occurrence of Fenton reaction,thus reducing the consumption of ***(FeMn-DA)-N-C catalysts showcase half-wave potentials of 0.92 and 0.82 V in 0.1 M KOH and 0.1 M HClO_(4),respectively,as well as outstanding *** manifested by DFT calculations,the introduction of Mn affects the electronic structure of Fe,down-shifts the d-band Fe active center,accelerates the desorption of OH groups,and creates higher limiting *** AEMFC and PEMFC with(FeMn-DA)-N-C as the cathode catalyst display high power densities of 1060 and 746 mW cm^(-2),respectively,underscoring their promising potential for practical *** study highlights the robustness of designing Fe-containing dual-atom ORR catalysts to promote both activity and stability for energy conversion and storage materials and devices.

关键词： Doping-adsorption-pyrolysis Dual-atom catalysts Oxygen reduction reaction Fuel cells

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Insight into the bimetallic structure sensibility of catalytic nitrate reduction over Pd-Cu nanocrystals

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Journal of Environmental Sciences 2025年第3期149卷 221-233页

作者： Zhiqiang Zhang Wenhang li Cailin Zheng Kunyu Chen Heliang Pang Wenxin shi Jinsuo Lu School of Environmental and Municipal Engineering Xi’an University of Architecture and TechnologyXi’an 710055China Key Laboratory of Northwest Water Resources Environment and EcologyMinistry of EducationXian 710055China State Key Laboratory of Urban Water Resource and Environment Harbin Institute of TechnologyHarbin 150090China Construction engineering quality and safety supervision center station House and Urban Rural Development Department of AnkangAnkang 725000China College of Urban Construction and Environmental Engineering Chongqing UniversityChongqing 400044China

Catalytic reduction of nitrate over bimetallic catalysts has emerged as a technology for sustainable treatment of nitrate-containing ***,the structure of bimetallic has been much less investigated for catalyst ***,two main types of Pd-Cu bimetallic nanocrystal structures,heterostructure and intermetallic,were prepared and characterized using high-resolution transmission electron microscopy(HRTEM),X-ray diffraction(XRD),and X-ray photoelectron spectroscopy(XPS).The results show that two individual Pd and Cu nanocrystals with a mixed interface exist in the heterostructure nanocrystals,while Pd and Cu atoms are uniformly distributed across the intermetallic Pd-Cu *** catalytic nitrate reduction experiments were carried out in a semibatch reactor under constant hydrogen *** nitrate conversion rate of the heterostructure Pd-Cu nanocrystals supported onα-Al_(2)O_(3),γ-Al_(2)O_(3),SBA-15,and XC-72R exhibited 3.82-,6.76-,4.28-,2.44-fold enhancements relative to the intermetallic nanocrystals,and the nitrogen and nitrite were the main products for the heterostructure and intermetallic Pd-Cu nanocrystals,*** indicates that the catalytic nitrate reduction over Pd-Cu catalyst is sensitive to the bimetallic structures of the catalysts,and heterostructure bimetallic nanocrystals exhibit better catalytic performances on both the activity and selectivity,which may provide new insights into the design and optimization of catalysts to improve catalytic activity and selectivity for nitrate reduction in water.

关键词： Catalytic nitrate reduction Pd-Cu bimetallic catalyst Heterostructure Intermetallic Activity and selectivity

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Comparative Study on Hydrodynamic Performances of Fully Activated and Semi-Activated Oscillating Hydrofoils for Energy Harvesting

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Journal of Ocean University of China 2025年第1期24卷 31-39页

作者： QU Hengliang li Xueyan shi Hongyuan DONG Xiaochen School of Hydraulic and Civil Engineering Ludong UniversityYantai 264025China Institute of Sea-Crossing Engineering Ludong UniversityYantai 264025China Shandong Provincial Key Laboratory of Ocean Engineering Qingdao 266100China

The oscillating hydrofoil represents a promising technology for harvesting energy from tidal *** previous research has primarily focused on oscillating hydrofoils utilizing a fully activated control strategy,the industry predominantly employs a semi-activated control strategy in existing tidal current energy *** is essential to identify the differences in predicted energy-harvesting performance between these two controlling strategies through experimental modeling or numerical ***,the suitability of the fully activated control strategy in predicting the energy-harvesting capabilities of oscillating hydrofoils is *** 2D numerical models of hydrofoil based on fully activated and semi-activated control strategies have been developed and *** amplitudes of heaving and pitching movements for the fully activated hydrofoil are determined to match those of the semi-activated *** results show that the main difference between the two control strategies lies in the phase shift occurring between the pitching and heaving *** phase shift affects the lift force and its coordination with the heaving velocity,which in turn affects the power ***,the maximum relative efficiency difference obtained between the fully activated and semi-activated control strategies can reach 191%.

关键词： oscillating hydrofoil controlling strategy comparative study energy-harvesting performance

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Theoretical calculation on degradation mechanism of novel copolyesters under CALB enzyme

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Journal of Environmental Sciences 2025年第3期149卷 242-253页

作者： yuanyang Ren Zhiwen Cheng Luwei Cheng Yawei liu Mingyue li Tao yuan Zhemin Shen School of Environmental Science and Engineering Shanghai Jiao Tong UniversityShanghai 200240China State Environmental Protection Key Laboratory of Environmental Health Impact Assessment of Emerging Contaminants Shanghai 200240China Shanghai Institute of Pollution Control and Ecological Security Shanghai 200092China

Poly(butylene succinate-co-furandicarboxylate)(PBSF)and poly(butylene adipateco-furandicarboxylate)(PBAF)are novel furandicarboxylic acid-based biodegradable copolyesters with great potential to replace fossil-derived terephthalic acid-based copolyesters such as poly(butylene succinate-co-terephthalate)(PBST)and poly(butylene adipate-co-terephthalate)(PBAT).In this study,quantum chemistry techniques after molecular dynamics simulations are employed to investigate the degradationmechanism of PBSF and PBAF catalyzed by Candida antarctica lipase B(CALB).Computational analysis indicates that the catalytic reaction follows a four-step mechanism resembling the ping-pong bibi mechanism,with the initial two steps being acylation reactions and the subsequent two being hydrolysis ***,the first step of the hydrolysis is identified as the rate-determining ***,by introducing single-point mutations to expand the substrate entrance tunnel,the catalytic distance of the first acylation step ***,energy barrier of the rate-determining step is decreased in the PBSF system by site-directed mutations on key residues increasing hydrophobicity of the enzyme’s active *** study unprecedently show the substrate binding pocket and hydrophobicity of the enzyme’s active site have the potential to be engineered to enhance the degradation of copolyesters catalyzed by CALB.

关键词： Poly(butylene succinate-co-furandicarboxylate) Poly(butylene adipate-co-furandicarboxylate) Candida antarctica lipase B Degradation mechanism Site-directed mutations

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GPU-Enabled Isogometric Topology Optimization with Bezier Element Stiffness Mapping

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Computer Modeling in Engineering & Sciences 2025年第2期142卷 1481-1514页

作者： Xuesong li Shuting Wang Nianmeng Luo Aodi Yang Xing yuan Xianda Xie School of Mechanical Science and Engineering Huazhong University of Science and TechnologyWuhan430074China School of Advanced Manufacturing Nanchang UniversityNanchang330031China

Due to the high-order B-spline basis functions utilized in isogeometric analysis(IGA)and the repeatedly updating global stiffness matrix of topology optimization,Isogeometric topology optimization(ITO)intrinsically suffers from the computationally demanding *** this work,we address the efficiency problem existing in the assembling stiffness matrix and sensitivity analysis using B˙ezier element stiffness *** Element-wise and Interaction-wise parallel computing frameworks for updating the global stiffness matrix are proposed for ITO with B˙ezier element stiffness mapping,which differs from these ones with the traditional Gaussian integrals *** the explicit stiffness computation formula derived from B˙ezier element stiffness mapping possesses a typical parallel structure,the presented GPU-enabled ITO method can greatly accelerate the computation speed while maintaining its high memory efficiency *** examples demonstrate threefold speedup:1)the assembling stiffness matrix is accelerated by 10×maximumly with the proposed GPU strategy;2)the solution efficiency of a sparse linear system is enhanced by up to 30×with Eigen replaced by AMGCL;3)the efficiency of sensitivity analysis is promoted by 100×with GPU ***,the proposed method is a promising way to enhance the numerical efficiency of ITO for both single-patch and multiple-patch design problems.

关键词： Isogeometric analysis topology optimization GPU sparse system solver B˙ezier element stiffness mapping

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