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A visual modeling method for spatiotemporal and multidimensional features in epidemiological analysis:Applied COVID-19 aggregated datasets

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Computational Visual Media 2024年第1期10卷 161-186页

作者： yu dong Christy Jie Liang Yi chen Jie Hua School of Computer Science University of Technology SydneySydneyNSW2007Australia Beijing Key Laboratory of Big Data Technology for Food Safety Beijing Technology and Business UniversityBeijing100048China

The visual modeling method enables flexible interactions with rich graphical depictions of data and supports the exploration of the complexities of epidemiological ***,most epidemiology visualizations do not support the combined analysis of objective factors that might influence the transmission situation,resulting in a lack of quantitative and qualitative *** address this issue,we developed a portrait-based visual modeling method called+*** method considers the spatiotemporal features of virus transmission patterns and multidimensional features of objective risk factors in communities,enabling portrait-based exploration and comparison in epidemiological *** applied+msRNAer to aggregate COVID-19-related datasets in New South Wales,Australia,combining COVID-19 case number trends,geo-information,intervention events,and expert-supervised risk factors extracted from local government area-based *** perfected the+msRNAer workflow with collaborative views and evaluated its feasibility,effectiveness,and usefulness through one user study and three subject-driven case *** feedback from experts indicates that+msRNAer provides a general understanding for analyzing comprehension that not only compares relationships between cases in time-varying and risk factors through portraits but also supports navigation in fundamental geographical,timeline,and other factor *** adopting interactions,experts discovered functional and practical implications for potential patterns of long-standing community factors regarding the vulnerability faced by the *** confirmed that+msRNAer is expected to deliver visual modeling benefits with spatiotemporal and multidimensional features in other epidemiological analysis scenarios.

关键词： visual modeling epidemiological analysis spatiotemporal multidimensional COVID-19

碳化再生微粉泡沫混凝土的工作和力学性能研究

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建材世界 2024年第3期45卷 42-45页

作者：万送许银行陈美祝陈东雨贺俊武汉市政工程设计研究院有限责任公司武汉430023 武汉理工大学硅酸盐建筑材料国家重点实验室武汉430070

选取碳化或未碳化再生水泥混凝土粉作为辅助胶凝材料,考察不同水泥替代量(0、20%、40%、60%)对泡沫混凝土和易性和力学性能的影响。结果表明,碳化处理改善了新拌泡沫混凝土浆体和易性,改善幅度在1.08%~5.61%之间。机械强度与基体密度呈... 详细信息

选取碳化或未碳化再生水泥混凝土粉作为辅助胶凝材料,考察不同水泥替代量(0、20%、40%、60%)对泡沫混凝土和易性和力学性能的影响。结果表明,碳化处理改善了新拌泡沫混凝土浆体和易性,改善幅度在1.08%~5.61%之间。机械强度与基体密度呈正相关,相比于未碳化再生微粉泡沫混凝土,碳化处理能显著提升泡沫混凝土的密度并降低吸水率,进而提升泡沫混凝土的抗压强度。随着碳化微粉掺量增加,对泡沫混凝土抗压强度的影响表现为先升高后降低,在掺量为20%时达到最大值。

关键词：泡沫混凝土废旧水泥混凝土性能评价

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Minimum Data Set for Assessing Soil Quality in Farmland of Northeast China

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Pedosphere 2013年第5期23卷 564-576页

作者： chen yu-dong WANG Huo-Yan ZHOU Jian-Min XING Lu ZHU Bai-Shu ZHAO Yong-Cun chen Xiao-Qin Institute of Soil Science Chinese Academy of Science University of Chinese Academy of Sciences Southwest University College of Resources and Environment

Soil quality assessment provides a tool for agriculture managers and policy makers to gain a better understanding of how various agricultural systems affect soil resources. Soil quality of Hailun County, a typical soybean （Glycine max L. Merill） growing area located in Northeast China, was evaluated using soil quality index （SQI） methods. Each SQI was computed using a minimum data set （MDS） selected using principal components analysis （PCA） as a data reduction technique. Eight MDS indicators were selected from 20 physical and chemical soil measurements. The MDS accounted for 74.9% of the total variance in the total data set （TDS）. The SQI values for 88 soil samples were evaluated with linear scoring techniques and various weight methods. The results showed that SQI values correlated well with soybean yield （r = 0.658＊＊） when indicators in MDS were weighted by the regression coefficient computed for each yield and index. Stepwise regression between yield and principal components （PCs） indicated that available boron （AvB）, available phosphorus （AvP）, available potassium （AvK）, available iron （AvFe） and texture were the main factors limiting soybean yield. The method used to select an MDS could not only appropriately assess soil quality but also be used as a powerful tool for soil nutrient diagnosis at the regional level.

关键词： norm value principal component analysis soil quality index stepwise regression

Swelling of Spherical Polyelectrolyte Gels

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Chinese Journal of Polymer Science 2024年第9期42卷 1386-1392,I0009页

作者： Ming-yu Duan Jia-dong chen Yi-Ming Liu Zhao-Feng Peng Guang chen Department of Advanced Manufacturing and Robotics College of EngineeringPeking UniversityBeijing 100871China

Polyelectrolyte(PE)gels,distinguished by their unique stimuli-responsive swelling behavior,serve as the basis of broad applications,such as artificial muscles and drug *** this work,we present a theoretical model to analyze the electrostatics and its contribution to the swelling behavior of PE gels in salt *** minimizing the free energy of PE gels,we obtain two distinct scaling regimes for the swelling ratio at equilibrium with respect to the salt *** compare our predictions for the swelling ratio with experimental measurements,which show excellent *** addition,we employ a finite element method to assess the applicability range of our theoretical model and *** anticipate that our model will also provide valuable insights into drug adsorption and release,deformation of red blood cells,4D printing and soft robotics,where the underlying mechanism of swelling remains enigmatic.

关键词： Gels Polyelectrolytes Swelling Stimuli-responsive Electrostatic interaction Cell model

Proposal for valleytronic materials:Ferrovalley metal and valley gapless semiconductor

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Frontiers of physics 2024年第2期19卷 131-139页

作者： San-dong Guo yu-Ling Tao Guangzhao Wang Shaobo chen dong Huang Yee Sin Ang School of Electronic Engineering Xi’an University of Posts and TelecommunicationsXi’an 710121China Key Laboratory of Extraordinary Bond Engineering and Advanced Materials Technology of Chongqing School of Electronic Information EngineeringYangtze Normal UniversityChongqing 408100China College of Electronic and Information Engineering Anshun UniversityAnshun 561000China Science Mathematics and Technology(SMT)Singapore University of Technology and Design(SUTD)8 Somapah RoadSingapore 487372Singapore

Valleytronic materials can provide new degrees of freedom to future electronic *** this work,the concepts of the ferrovalley metal(FVM)and valley gapless semiconductor(VGS)are proposed,which can be achieved in valleytronic bilayer systems by electric field *** valleytronic bilayer systems,the interaction between out-of-plane ferroelectricity and A-type antiferromagnetism can induce layer-polarized anomalous valley Hall(LP-AVH)*** K and−K valleys of FVM are both metallic,and electron and hole carriers simultaneously *** the extreme case,the FVM can become VGS by analogizing spin gapless semiconductor(SGS).Moreover,it is proposed that the valley splitting enhancement and valley polarization reversal can be achieved by electric field engineering in valleytronic bilayer *** the bilayer RuBr_(2)as an example,our proposal is confirmed by the first-principle *** FVM and VGS can be achieved in bilayer RuBr_(2)by applying electric *** appropriate electric field range,increasing electric field can enhance valley splitting,and the valley polarization can be reversed by flipping electric field *** effectively tune valley properties by electric field in bilayer systems,the parent monolayer should possess out-of-plane magnetization,and have large valley *** results shed light on the possible role of electric field in tuning valleytronic bilayer systems,and provide a way to design the ferrovalley-related material by electric field.

关键词： valleytronics electric field bilayer

Understanding the cooperative effects in the catalysis of homodimeric fluoroacetate dehalogenase

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Science China Chemistry 2024年第7期67卷 2382-2391页

作者： Ke-Wei chen Jia-Nan chen Jun Zhang Chao Wang Tian-yu Sun yun-dong Wu Key Laboratory of Computational Chemistry and Drug Design State Key Laboratory of Chemical OncogenomicSchool of Chemical Biology and BiotechnologyPeking University Shenzhen Graduate SchoolShenzhen 518055China Institute of Chemical Biology Shenzhen Bay LaboratoryShenzhen 518132China College of Chemistry and Molecular Engineering Peking UniversityBeijing 100871China Changping Laboratory Beijing 102200China

Fluoroacetate dehalogenases(FAcD),a homodimeric enzyme,catalyzes the conversion of fluoroacetic acid to glycolic acid(GoA).It has been proved that the enzyme has a half-of-the-site ***,its catalytic(C)subunit converts the first substrate to a covalent intermediate;then,the non-catalytic(NC)subunit binds a second substrate and promotes the conversion of the intermediate in the C subunit into the final *** the release of the product,the C subunit becomes the NC subunit,and the previous NC subunit becomes the C *** elucidate the detailed mechanism behind this cooperative catalysis,we have conducted microsecond-scale MD simulations along the reaction *** simulations indicate that the substrate in the NC subunit induces W185 and Y141 adopting an open conformation in the C *** opening of W185(C)facilitates the entry of catalytic water,enhancing the catalytic activity for product formation,while the opening of Y141(C)creates an unfavorable environment for product binding,promoting its *** interaction network analysis reveals that the substrate in the NC subunit can induce conformational changes through a conserved water chain at the interface.

关键词： enzyme catalysis molecular dynamics cooperative effect pre-reaction state

A semi-analytical model for coupled flow in stress-sensitive multi-scale shale reservoirs with fractal characteristics

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Petroleum Science 2024年第1期21卷 327-342页

作者： Qian Zhang Wen-dong Wang yu-Liang Su Wei chen Zheng-dong Lei Lei Li Yong-Mao Hao Key Laboratory of Unconventional Oil&Gas Development(China University of Petroleum(East China)) Ministry of EducationQingdao266580ShandongChina School of Petroleum Engineering China University of Petroleum(East China)Qingdao266580ShandongChina Shale Oil Development Branch Changqing Oilfield CompanyPetroChinaQingyang745708GansuChina PetroChina Research Institute of Petroleum Exploration&Development Beijing100083China

A large number of nanopores and complex fracture structures in shale reservoirs results in multi-scale flow of oil. With the development of shale oil reservoirs, the permeability of multi-scale media undergoes changes due to stress sensitivity, which plays a crucial role in controlling pressure propagation and oil flow. This paper proposes a multi-scale coupled flow mathematical model of matrix nanopores, induced fractures, and hydraulic fractures. In this model, the micro-scale effects of shale oil flow in fractal nanopores, fractal induced fracture network, and stress sensitivity of multi-scale media are considered. We solved the model iteratively using Pedrosa transform, semi-analytic Segmented Bessel function, Laplace transform. The results of this model exhibit good agreement with the numerical solution and field production data, confirming the high accuracy of the model. As well, the influence of stress sensitivity on permeability, pressure and production is analyzed. It is shown that the permeability and production decrease significantly when induced fractures are weakly supported. Closed induced fractures can inhibit interporosity flow in the stimulated reservoir volume (SRV). It has been shown in sensitivity analysis that hydraulic fractures are beneficial to early production, and induced fractures in SRV are beneficial to middle production. The model can characterize multi-scale flow characteristics of shale oil, providing theoretical guidance for rapid productivity evaluation.

关键词： Multi-scale coupled flow Stress sensitivity Shale oil Micro-scale effect Fractal theory

Effect of Reclamation on the Groundwater-Lake Water Interaction in chen Lake

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Journal of Earth Science 2024年第3期35卷 1083-1086页

作者： Kun Lei Teng Ma Liuzhu chen Zhenxing Li yu chen School of Environmental Studies State Key Laboratory of Biogeology and Environmental GeologyChina University of GeosciencesWuhan 430078China

0 INTRODUCTION To relieve the short supply of suitable land for residing,cultivating,and commerce,it is accepted to reclaim land from lakes,river estuaries,and coastal regions in many countries(Mancini et al.,2020).The large-scale reclamation activities have an irreversible effect on the mico-geomorphology and hydrodynamic system of seasonally flooded areas(Zhang et al.,2019;yu et al.,2018).For example,coastal regions reclaimed extended the groundwater flow paths,as well as created groundwater level rise,resulting in water-logging in the reclaimed area(Hu et al.,2008).Similar changes in groundwater flow systems may alter groundwater-lake water interactions,and it can ultimately affect the water cycle in the lake ***,such detailed studies are presently *** addition,natural exchanges between the lake and groundwater systems can be strongly affected by physical hydrological processes(Javadzadeh et al.,2020),chemical properties(Kamtchueng et al.,2015),and bioto behavior(Hancock et al.,2005).

关键词： groundwater coastal logging

Azocalixarenes: a scaffold of universal excipients with high efficiency

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Science China Chemistry 2024年第5期67卷 1697-1706页

作者： yu-Xin yue Yi-Lin Lin Meng-Meng chen Han-Wen Tian Rong Ma Ze-Han Wang Fang-yuan chen yu-chen Pan dong-Sheng Guo College of Chemistry State Key Laboratory of Elemento-Organic ChemistryKey Laboratory of Functional Polymer Materials(Ministry of Education)Frontiers Science Center for New Organic MatterCollaborative Innovation Center of Chemical Science and Engineering(Tianjin)Nankai UniversityTianjin 300071China

Excipients are important components of pharmaceutical preparations that affect their quality, safety, and efficacy. Macrocyclic receptors are a family of supramolecular excipients with several advantages, including molecular-level protection, small sizes,fast kinetics of host-guest recognition, and modular construction. With the continuous advances in the medical field, personalized and precision medicine requires the development of excipients with low dosages, integrated modifying effects, universality,and controlled release. To meet these requirements, we have developed a new family of macrocyclic excipients based on calixarenes by integrating their covalent(broad chemical design space) and noncovalent(wide range of substrates) ***, azocalixarenes(Azo CAs) were designed, showing high binding affinities to a broad spectrum of active pharmaceutical ingredients(APIs), selectivity to interferents, and responsiveness to hypoxic microenvironments. Due to their highly efficient and controllable recognition, Azo CAs serve as low-dose excipients for 30 APIs. Molecular encapsulation by Azo CAs results in the integrated modification of the physicochemical properties of APIs, including solubility, stability, bioavailability,and biocompatibility. Moreover, Azo CAs can be reduced by azoreductases overexpressed in hypoxic microenvironments,leading to the controlled release of APIs. Collectively, Azo CA excipients have broad application prospects for a series of diseases such as enteritis, arthritis, stroke, cancer, bacterial infection and kidney injury, with diverse therapeutic modalities,including chemotherapy, photodynamic therapy, photothermal therapy, immunotherapy, boron neutron capture therapy, radiotherapy, fluorescence imaging, and their combinations.

关键词： supramolecular chemistry host-guest systems excipient calixarene molecular recognition