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The hydrophobic cluster on the surface of protein is the key structural basis for the SDS-resistance of chondroitinase VhChlABC

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Marine Life Science & Technology 2024年第1期6卷 93-101页

作者： juanjuan Su Hao Wu Chengying Yin Fengchao Zhang Feng Han Wengong yu School of Medicine and Pharmacy Ocean University of ChinaQingdao 266003China Laboratory for Marine Drugs and Bioproducts Qingdao Marine Science and Technology CenterQingdao 266237China Key Laboratory of Marine Drugs Ministry of EducationQingdao 266003China Shandong Provincial Key Laboratory of Glycoscience and Glycoengineering Qingdao 266003China

The application of chondroitinase requires consideration of the complex microenvironment of the target.Our previous research reported a marine-derived sodium dodecyl sulfate(SDS)-resistant chondroitinase VhChlABC.This study further investigated the mechanism of VhChlABC resistance to SDS.Focusing on the hydrophobic cluster on its strong hydrophilic surface,it was found that the reduction of hydrophobicity of surface residues Ala181,Met182,Met183,Ala184,Val185,and Ile305 significantly reduced the SDS resistance and stability.Molecular dynamics(MD)simulation and molecular docking analysis showed that I305G had more conformational flexibility around residue 305 than wild type(WT),which was more conducive to SDS insertion and binding.The affinity of A181G,M182A,M183A,V185A and I305G to SDS was significantly higher than that of WT.In conclusion,the surface hydrophobic microenvironment composed of six residues was the structural basis for SDS resistance.This feature could prevent the binding of SDS and the destruction of hydrophobic packaging by increasing the rigid conformation of protein and reducing the binding force of SDS-protein.The study provides a new idea for the rational design of SDS-resistant proteins and may further promote chondroitinase research in the targeted therapy of lung diseases under the pressure of pulmonary surfactant.

关键词： Hydrophobic cluster Protein surface SDS-resistance Chondroitinase

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Computational Experiments for Complex Social Systems:Experiment Design and Generative Explanation

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IEEE/CAA Journal of Automatica Sinica 2024年第4期11卷 1022-1038页

作者： Xiao Xue Deyu Zhou Xiangning yu Gang Wang juanjuan Li Xia Xie Lizhen Cui Fei-yue Wang the School of Computer Software College of Intelligence and ComputingTianjin UniversityTianjin 300350China the School of Software and the Joint SDUNTU Centre for Artificial Intelligence Research(C-FAIR) Shandong UniversityJinan 250101China the Information School Xi’an University of Financial and EconomicsXi’an 710100China the State Key Laboratory of Multimodal Artificial Intelligence Systems Institute of AutomationChinese Academy of SciencesBeijing 100190China Hainan University Haikou 570228China the State Key Laboratory for Management and Control of Complex Systems Institute of AutomationChinese Academy of SciencesBeijing 1001901China

Powered by advanced information technology,more and more complex systems are exhibiting characteristics of the cyber-physical-social systems(CPSS).In this context,computational experiments method has emerged as a novel approach for the design,analysis,management,control,and integration of CPSS,which can realize the causal analysis of complex systems by means of“algorithmization”of“counterfactuals”.However,because CPSS involve human and social factors(e.g.,autonomy,initiative,and sociality),it is difficult for traditional design of experiment(DOE)methods to achieve the generative explanation of system emergence.To address this challenge,this paper proposes an integrated approach to the design of computational experiments,incorporating three key modules:1)Descriptive module:Determining the influencing factors and response variables of the system by means of the modeling of an artificial society;2)Interpretative module:Selecting factorial experimental design solution to identify the relationship between influencing factors and macro phenomena;3)Predictive module:Building a meta-model that is equivalent to artificial society to explore its operating laws.Finally,a case study of crowd-sourcing platforms is presented to illustrate the application process and effectiveness of the proposed approach,which can reveal the social impact of algorithmic behavior on“rider race”.

关键词： Agent-based modeling computational experiments cyber-physical-social systems(CPSS) generative deduction generative experiments meta model

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Water-Driven Malleable,Weldable and Eco-Friendly Recyclable Carbon Fiber Reinforced Dynamic Composites

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Chinese Journal of Chemistry 2024年第5期42卷 516-522页

作者： Ping yu Qirui Huang Yi Wang Wan Peng Zichen Jia Haiyue Wang juanjuan Ma Chunyu Wang Xuzhou Yan School of Environmental and Chemical Engineering Jiangsu Key Laboratory of Function Control Technology for Advanced MaterialsJiangsu Ocean UniversityLianyungangJiangsu222005 China School of Chemistry and Chemical Engineering Frontiers Science Center for Transformative MoleculesShanghai Jiao Tong UniversityShanghai200240 China

Traditional carbon fiber-reinforced polymers based on thermoset matrix have been extensively used in the fields of wind turbine blades,automotive sector,and aerospace,among many others.However,there is still a major challenge of recycling those polymers due to the high cost and adverse impacts on the environment.In this work,we apply a polyimine network as matrix,which possess considerable tensile and thermal properties,to prepare the carbon fiber reinforced polyimine materials with trifluoromethyl diphenoxybenzene units(CFRFP)using a prepreg-based compression molding method.The CFRFP can be reshaped or reprocessed by heat or with water rapidly,and exhibited multifunction,including welding,chemical recycling,etc.These unique findings gained from our study will facilitate the manufacturing capability and enrich the types of fiber-reinforced composites.

关键词： Dynamic chemistry Green chemistry Fiber-reinforced composites Fluoropolyimine Welding Reshaping Recycling Renewable resources

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Stimulated Brillouin interaction between guided phonons and photons in a lithium niobate waveguide

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Science China(Physics,Mechanics & Astronomy) 2024年第1期67卷 173-175页

作者： yuan-Hao Yang Jia-Qi Wang Zheng-Xu Zhu Xin-Biao Xu Qiang Zhang juanjuan Lu yu Zeng Chun-Hua Dong Luyan Sun Guang-Can Guo Chang-Ling Zou CAS Key Laboratory of Quantum Information University of Science and Technology of ChinaHefei 230026China CAS Center for Excellence in Quantum Information and Quantum Physics University of Science and Technology of ChinaHefei 230026China Key Laboratory of Quantum Optics and Quantum Optics Devices Institute of Opto-ElectronicsShanxi UniversityTaiyuan 030006China School of Information Science and Technology ShanghaiTech UniversityShanghai 201210China Center for Quantum Information Institute for Interdisciplinary Information SciencesTsinghua UniversityBeijing 100084China

The Brillouin scattering is one of the strongest nonlinear optical effects in dielectrics[1].In particular,the backward Brillouin scattering(BBS)provides an efficient method to achieve low-noise optical gain for active photonics[2]and the coherent interconnects between 10 GHz phonons and photons[3].However,previous studies on BBS are primarily limited to the unconfined phonons[1]or phonon confined in suspended structures[4-6].

关键词： scattering waveguide Brillouin

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An Edge-assisted, Object-oriented Random Forest Approach for Refined Extraction of Tea Plantations Using Multi-temporal Sentinel-2 and High-resolution Gaofen-2 Imagery

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Journal of Geodesy and Geoinformation Science 2023年第1期6卷 31-46页

作者： juanjuan yu Xiufeng HE Jia XU Zhuang GAO Peng YANG yuanyuan CHEN Jiacheng XIONG School of Earth Sciences and Engineering Hohai UniversityNanjing 211100China College of Givil Engineering Nanjing Forestry UniversityNanjing 210037China GFZ German Research Gentre for Geosciences Potsdam 14473Germany

As a consumed and influential natural plant beverage,tea is widely planted in subtropical and tropical areas all over the world.Affected by(sub)tropical climate characteristics,the underlying surface of the tea distribution area is extremely complex,with a variety of vegetation types.In addition,tea distribution is scattered and fragmentized in most of China.Therefore,it is difficult to obtain accurate tea information based on coarse resolution remote sensing data and existing feature extraction methods.This study proposed a boundary-enhanced,object-oriented random forest method on the basis of high-resolution GF-2 and multi-temporal Sentinel-2 data.This method uses multispectral indexes,textures,vegetable indices,and variation characteristics of time-series NDVI from the multi-temporal Sentinel-2 imageries to obtain abundant features related to the growth of tea plantations.To reduce feature redundancy and computation time,the feature elimination algorithm based on Mean Decrease Accuracy(MDA)was used to generate the optimal feature set.Considering the serious boundary inconsistency problem caused by the complex and fragmented land cover types,high resolution GF-2 image was segmented based on the MultiResolution Segmentation(MRS)algorithm to assist the segmentation of Sentinel-2,which contributes to delineating meaningful objects and enhancing the reliability of the boundary for tea plantations.Finally,the object-oriented random forest method was utilized to extract the tea information based on the optimal feature combination in the Jingmai Mountain,yunnan Province.The resulting tea plantation map had high accuracy,with a 95.38%overall accuracy and 0.91 kappa coefficient.We conclude that the proposed method is effective for mapping tea plantations in high heterogeneity mountainous areas and has the potential for mapping tea plantations in large areas.

关键词： tea plantation mapping multi-temporal edge-assisted object-oriented random forest Sentinel-2 Gaofen-2

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Quantum Spin Exchange Interactions to Accelerate the Redox Kinetics in Li–S Batteries

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Nano-Micro Letters 2024年第5期16卷 370-383页

作者： yu Du Weijie Chen yu Wang yue yu Kai Guo Gan Qu Jianan Zhang Key Laboratory of Advanced Energy Catalytic and Functional Materials Preparation of Zhengzhou City College of Materials Science and EngineeringZhengzhou UniversityZhengzhou 450001People’s Republic of China

Spin-engineering with electrocatalysts have been exploited to suppress the“shuttle effect”in Li–S batteries.Spin selec-tion,spin-dependent electron mobility and spin potentials in activation barriers can be optimized as quantum spin exchange interactions lead-ing to a significant reduction of the electronic repulsions in the orbitals of catalysts.Herein,we anchor the MgPc molecules on fluorinated carbon nanotubes(MgPc@FCNT),which exhibits the single active Mg sites with axial displacement.According to the density functional theory calculations,the electronic spin polarization in MgPc@FCNT not only increases the adsorption energy toward LiPSs intermediates but also facilitates the tunneling process of electron in Li–S batter-ies.As a result,the MgPc@FCNT provides an initial capacity of 6.1 mAh cm^(-2) even when the high sulfur loading is 4.5 mg cm^(-2),and still maintains 5.1 mAh cm^(-2) after 100 cycles.This work provides a new perspective to extend the main group single-atom catalysts enabling high-performance Li–S batteries.

关键词： Metal phthalocyanines Spin polarization Electrocatalysis Li–S batteries

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Light People:Professor Laura Na Liu

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Light(Science & Applications) 2024年第2期13卷 184-189页

作者： Hui Wang Cun yu Changchun Institute of Optics Fine Mechanics and PhysicsChinese Academy of Sciences130033ChangchunChina

Editorial The DNA nanotechnology outlines a new chapter in biological sciences,opening a new era of scientific and technological advancements.A pioneer of DNA nanotechnology,Professor Liu from the University of Stuttgart in Germany,our latest Light People,has been working at the interface,where nanophotonics meets biology and chemistry.On the path of scientific explorations.

关键词： chemistry. advancement pioneer

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Macroporous Directed and Interconnected Carbon Architectures Endow Amorphous Silicon Nanodots as Low‑Strain and Fast‑Charging Anode for Lithium‑Ion Batteries

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Nano-Micro Letters 2024年第5期16卷 333-351页

作者： Zhenwei Li Meisheng Han Peilun yu Junsheng Lin Jie yu Guangdong Provincial Key Laboratory of Semiconductor Optoelectronic Materials and Intelligent Photonic Systems Shenzhen Engineering Lab for Supercapacitor MaterialsSchool of Material Science and EngineeringHarbin Institute of TechnologyShenzhenUniversity TownShenzhen 518055People’s Republic of China Songshan Lake Materials Laboratory Dongguan Dongguan 523808GuangdongPeople’s Republic of China Department of Mechanical and Energy Engineering Southern University of Science and TechnologyShenzhen 518055People’s Republic of China

Fabricating low-strain and fast-charging silicon-carbon composite anodes is highly desired but remains a huge challenge for lithium-ion batteries.Herein,we report a unique silicon-carbon composite fabricated by uniformly dis-persing amorphous Si nanodots(SiNDs)in carbon nanospheres(SiNDs/C)that are welded on the wall of the macroporous carbon framework(MPCF)by vertical graphene(VG),labeled as MPCF@VG@SiNDs/C.The high dispersity and amor-phous features of ultrasmall SiNDs(~0.7 nm),the flexible and directed electron/Li+transport channels of VG,and the MPCF impart the MPCF@VG@SiNDs/C more lithium storage sites,rapid Li+transport path,and unique low-strain property during Li+storage.Consequently,the MPCF@VG@SiNDs/C exhibits high cycle stability(1301.4 mAh g^(-1) at 1 A g^(-1) after 1000 cycles without apparent decay)and high rate capacity(910.3 mAh g^(-1),20 A g^(-1))in half cells based on industrial electrode standards.The assembled pouch full cell delivers a high energy density(1694.0 Wh L^(-1);602.8 Wh kg^(-1))and an excellent fast-charging capability(498.5 Wh kg^(-1),charging for 16.8 min at 3 C).This study opens new possibilities for preparing advanced silicon-carbon com-posite anodes for practical applications.

关键词： Amorphous Si nanodots Low-strain Fast-charging Lithium-ion batteries

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Linear-Quadratic Pareto Cooperative Game for Mean-Field Backward Stochastic System

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Journal of Systems Science & Complexity 2024年第3期37卷 947-964页

作者： WANG yu School of Control Science and Engineering Shandong UniversityJinan 250061China

This paper focuses on a Pareto cooperative differential game with a linear mean-field backward stochastic system and a quadratic form cost functional. Based on a weighted sum optimality method, the Pareto game is equivalently converted to an optimal control problem. In the first place,the feedback form of Pareto optimal strategy is derived by virtue of decoupling technology, which is represented by four Riccati equations, a mean-field forward stochastic differential equation(MF-FSDE),and a mean-field backward stochastic differential equation(MF-BSDE). In addition, the corresponding Pareto optimal solution is further obtained. Finally, the author solves a problem in mathematical finance to illustrate the application of the theoretical results.

关键词： Backward stochastic differential equation linear-quadratic control mean-field Pareto optimality

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Effect of relative humidity on the desulfurization performance of calcium-based desulfurizer

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Journal of Environmental Sciences 2024年第4期138卷 179-188页

作者： Juan Lǖ yu Fu Haiyan yu HuanWang Zhe Wang Haiyan Chen School of Environment and Resource Southwest University of Science and TechnologyMianyang 621010China Guangyuan Emergency Management bureau Guangyuan 628000China

Low desulfurization efficiency impedes the wide application of dry desulfurization technology,which is a low-cost and simple process,and one significant solution is the development and manufacture of high-performance desulfurizers.In this study,firstly,a steam jet mill was used to digest quicklime;then,we utilized numerical simulation to study the flow field distribution and analyze the driving factors of quicklime digestion;and lastly,the desulfurization performance of the desulfurizer was evaluated under different relative humidities.The results show that the desulfurizer prepared via the steam jet mill had better apparent activity than traditional desulfurizers.Also,the entire jet flow field of the steam jet mill is in a supersonic and highly turbulent flow state,with high crushing intensity and good particle acceleration performance.Sufficient contact with the nascent surface maximizes the formation of slaked lime.The experiments demonstrated that the operating time with 100%desulfurization efficiency and the“break-through”time for the desulfurizer prepared via the steam jet mill is longer than that of traditional desulfurizers,and has significant advantages,especially at low flue gas relative humidity.Compared with traditional desulfurizers,the desulfurizer prepared via steam jet mill expands the range of acceptable flue gas temperature,and the failure temperature is 1.625 times that of traditional desulfurizers.This work breaks through the technical bottleneck of low dry desulfurization efficiency,which is an important step in pushing forward the application of dry desulfurization.

关键词： Dry desulfurization Relative humidity Desulfurization efficiency High-efficiency desulfurizer Quicklime digestion

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