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Curvature Dependence of Interfacial Properties for Associating Lennard-Jones Fluids:A Density Functional Study

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Chinese Physics Letters 2011年第2期28卷 168-171页

作者： SUN Zong-Li kang yan-shuang Science and Technology College North China Electric Power UniversityBaoding 071051 College of Science Agriculture University of HebeiBaoding 071001

Classical density functional theory is used to study the associating Lennard Jones fluids in contact with spherical hard wall of different curvature *** interfacial properties including contact density and fluid-solid intcrfacial tension are *** influences of associating energy,curvature of hard wall and the hulk density of fluids on these properties are analyzed in *** results may provide helpful clues to understand the interfacial properties of other complex fluids.

关键词： curvature interfacial spherical

An effective strategy of constructing multi-metallic oxides of ZnO/ CoNiO_(2)/CoO/C microflowers for improved supercapacitive performance

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Chinese Journal of Chemical Engineering 2024年第3期67卷 1-8页

作者： Wei Guo yan Zhang Xiaxin Lei shuang Wang College of Physics Taiyuan University of TechnologyJinzhong 030600China College of Environmental Science and Engineering Taiyuan University of TechnologyJinzhong 030600China Shanxi Key Laboratory of Gas Energy Efficient and Clean Utilization Taiyuan University of TechnologyTaiyuan 030024China

In this work,a new ZnO/CoNiO_(2)/CoO/C metal oxides composite is prepared by cost-effective hydrothermal method coupled with annealing process under N_(2) ***,the oxidation-defect annealing environment is conducive to both morphology and component of the composite,which flower-like ZnO/CoNiO_(2)/CoO/C is *** from good chemical stability of ZnO,high energy capacity of CoNiO_(2) and CoO and good conductivity of C,the as-prepared sample shows promising electrochemical behavior,including the specific capacity of 1435 C·g^(-1) at 1 A·g^(-1),capacity retention of 87.3%at 20 A·g^(-1),and cycling stability of 90.5%for 3000 cycles at 5 A·g^(-1),***,the prepared ZnO/CoNiO_(2)/CoO/C/NF//AC aqueous hybrid supercapacitors device delivers the best specific energy of 55.9 W·h·kg^(-1) at 850 W·kg^(-1).The results reflect that the as-prepared ZnO/CoNiO_(2)/CoO/C microflowers are considered as high performance electrode materials for supercapacitor,and the strategy mentioned in this paper is benefit to prepare mixed metal oxides composite for energy conversion and storage.

关键词： Composites Electrochemistry Hydrothermal Transition metal oxides Structural control Supercapacitors

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荷电流体中静电关联效应的有效势模型

物理学报 2014年第13期63卷 275-281页

作者：康艳霜孙宗利河北农业大学理学院保定071001 华北电力大学科技学院保定071051

基于Nordholm关于等离子体的库仑关联孔穴的概念,提出了描述荷电流体的有效库仑势模型.采用经典密度泛函理论,计算了受限于纳米微腔中荷电流体的平衡结构.通过对比计算结果,研究了粒子间的关联效应对体系平衡密度分布和剩余吸附量的影响... 详细信息

基于Nordholm关于等离子体的库仑关联孔穴的概念,提出了描述荷电流体的有效库仑势模型.采用经典密度泛函理论,计算了受限于纳米微腔中荷电流体的平衡结构.通过对比计算结果,研究了粒子间的关联效应对体系平衡密度分布和剩余吸附量的影响.此外,计算并研究了较大尺寸受限空间中荷电粒子的关联效应对体系结构的影响.研究结果表明:本文提出的有效两体势模型可有效地预测荷电粒子间的库仑关联对体系结构和物理化学性质的影响.研究结果可为研究和理解其他复杂的势模型体系中的关联效应提供可能的线索.

关键词：荷电流体关联效应有效库仑势密度泛函理论

Trajectory Time Series Compression Algorithm Based on Unsupervised Segmentation

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Journal of Systems Science and Information 2024年第3期12卷 360-378页

作者： shuang SUN yan CHEN Zaiji PIAO School of Maritime Economics and Management Dalian Maritime UniversityDalian 116026China School of Software Dalian University of Foreign LanguagesDalian 116044China

Aiming at the problem of ignoring the importance of starting point features of trajecory segmentation in existing trajectory compression algorithms,a study was conducted on the preprocessing process of trajectory time ***,an algorithm improvement was proposed based on the segmentation algorithm GRASP-UTS(Greedy Randomized Adaptive Search Procedure for Unsupervised Trajectory Segmentation).On the basis of considering trajectory coverage,this algorithm designs an adaptive parameter adjustment to segment long-term trajectory data reasonably and the identification of an optimal starting point for *** the compression efficiency of typical offline and online algorithms,such as the Douglas-Peucker algorithm,the Sliding Window algorithm and its enhancements,was compared before and after *** experimental findings highlight that the Adaptive Parameters GRASP-UTS segmentation approach leads to higher fitting precision in trajectory time series compression and improved algorithm efficiency ***,the compression performance of the Improved Sliding Window algorithm post-segmentation showcases its suitability for trajectories of varying scales,providing reasonable compression accuracy.

关键词： trajectory time series unsupervised segmentation trajectory compression greedy ran-domized adaptive search

Green-synthesized, biochar-supported nZVI from mango kernel residue for aqueous hexavalent chromium removal: Performance, mechanism and regeneration

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Chinese Journal of Chemical Engineering 2024年第7期71卷 91-101页

作者： Yuting Zhang Yuwei Tang Ruiping yan shuang Liang Zhongmou Liu Yadong yang Key Laboratory of Songliao Aquatic Environment Ministry of EducationJilin Jianzhu UniversityChangchun 130118China School of Environmental Science and Engineering Yancheng Institute of TechnologyYancheng 224051China

A biochar-supported green nZVI(G-nZVI@MKB)composite was synthesized using mango kernel waste with“dual identity”as reductant and biomass of *** G-nZVI@MKB with a Fe/C mass ratio of 2.0(G-nZVI@MKB2)was determined as the most favorable composite for hexavalent chromium(Cr(VI))*** influencing parameters were discussed,and 99.0%of Cr(VI)removal occurred within 360 min under these optimized ***-second order kinetic model and intra-particle diffusion model well depicted Cr(VI)removal *** XRD,FTIR,SEM,and XPS analyses verified the key roles of G-nZVI and functional groups,as well as the primary removal mechanisms involving electrostatic attraction,reduction,and complexation.G-nZVI@MKB2 exhibited good stability and reusability with only a 16.4%decline in Cr(VI)removal after five *** study offered evidence that mango kernel could be recycled as a beneficial resource to synthesize green nZVI-loaded biochar composite for efficient Cr(VI)elimination from water.

关键词： Synthesis Biochar-supported nZVI Hexavalent chromium Reduction Regeneration

PEGylated graphene oxide-mediated stimulation of vascular endothelial cells and responsive release of PD-1/PD-L1 inhibitor for efficient chemo-immunotherapy against cancer Author links open overlay panel

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Particuology 2024年第8期91卷 280-290页

作者： yan Wang Feng Li shuang Wang Jiaqi Meng Xiao Zhang Wei Wei State Key Laboratory of Biochemical Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing100190China Key Laboratory of Biopharmaceutical Preparation and Delivery Chinese Academy of SciencesBeijing100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing100049China

Immune checkpoint blockade(ICB)has emerged as a promising immunotherapeutic modality against cancer in the ***,only 10-30%of patients respond to ICB,primarily due to poor immunogenicity and insufficient T cell infiltration in solid ***,we presented an approach for high-performance cancer treatment using the programmed cell death protein-1 and programmed cell death ligand-1(PD-1/PD-L1)inhibitor(BMS-202)-loaded PEGylated graphene oxide(GPi).On the one hand,GPi dissociated tight junctions of vascular endothelial cells(VECs)in tumor,thus promoting the extravasation and intratumoral accumulation of liposomal doxorubicin(LipDox),which then effectively induced immunogenic cell death of tumor *** the other hand,GPi also stimulated VECs to upregulate the expression of cell-cell interaction molecules,such as intercellular cell adhesion molecule-1 and vascular cell adhesion molecule-1,which facilitated the infiltration of T cells in *** acting as a stimulator of VECs,GPi could exert responsive release of BMS-202 under the acidic tumor microenvironment and blockade PD-1/PD-L1 axis in ***,the alternating administration of GPi and LipDox effectively inhibited tumor growth in a 4T1 tumor model,providing a novel treatment mode for chemo-immunotherapy.

关键词： PEGylated graphene oxide Vascular endothelial cells Immune checkpoint blockade Immunogenic cell death Chemo-immunotherapy

Multiscale control of MnO_(2) growth via[WO_(6)]-perturbed[MnO_(6)]assembly toward a favorable balance between capacitance and rate performance

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Rare Metals 2024年第4期43卷 1658-1671页

作者： Jin-kang Liu Tian-Shuo yang Zhi-Bin Ren Adekunle-Adedapo Obisanya Xin-Yi Tan yan-Di Rao Jun-shuang Zhou Fa-Ming Gao Jian-Ren Wang Hebei Key Laboratory of Applied Chemistry Yanshan UniversityQinhuangdao066004China

Although pseudocapacitive manganese dioxide(MnO_(2))integrates the high-power merit of carbonaceous materials with the high-energy merit of battery-type materials,it still has a long way to go in achieving a more satisfactory balance of higher energy and power density,and in decoupling the relationship of structural characteristics with energy storage *** realize such goals,a bottom-up[WO_(6)]-perturbed[MnO_(6)]assembly strategy has been developed here due to their similar structure,yet mismatched lattice *** facile protocol is capable of finely controlling the morphology and crystal structure of MnO_(2)by adjusting its internal[WO_(6)]***,the as-prepared W_xMnO_(2)is treated as an ideal platform to scrutinize the correlations of the structure with the energy storage *** operando Raman spectra and finite element analysis have fully demonstrated the superiority of the locally ordered defects-enriched structure of W_(0.02)-MnO_(2),which could reach a favorable balance between the ion diffusion equilibrium time and the number of active *** a result,the W_(0.02)-MnO_(2)is able to deliver a high capacitance of 292 F·g^(-1)at a current density of 1 A·g^(-1)and a remarkable rate performance with a 60%capacity retention at a current density of 50 A·g^(-1).The further unveiled structure-performance relationship provides a guideline for the design of better pseudocapacitive energy storage devices.

关键词： Supercapacitors Pseudocapacitive materials MnO_(2) Tungsten doping Crystal structure regulation

Single cell analysis unveils B cell-dominated immune subtypes in HNSCC for enhanced prognostic and therapeutic stratification

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International Journal of Oral Science 2024年第3期16卷 448-459页

作者： kang Li Caihua Zhang Ruoxing Zhou Maosheng Cheng Rongsong Ling Gan Xiong Jieyi Ma yan Zhu shuang Chen Jie Chen Demeng Chen Liang Peng State Key Laboratory of Oncology in South China Department of Oral and Maxillofacial SurgeryInstitute of Precision MedicineCenter for Translational MedicineThe First Affiliated Hospital of Sun Yat-sen UniversityGuangzhouChina Institute for Advanced Study Shenzhen UniversityShenzhenChina Hospital of Stomatology Guangdong Provincial Key Laboratory of StomatologyGuanghua School of StomatologySun Yat-Sen UniversityGuangzhouChina Senior Department of Oncology The Fifth Medical Center of PLA General HospitalBeijingChina

Head and neck squamous cell carcinoma(HNSCC)is characterized by high recurrence or distant metastases rate and the prognosis is *** is mounting evidence that tumor-infiltrating B cells(TIL-Bs)have a crucial,synergistic role in tumor ***,little is known about the role TIL-Bs play in immune microenvironment and the way TIL-Bs affect the outcome of immune checkpoint *** single-cell RNA sequencing(scRNA-seq)data from the Gene Expression Omnibus(GEO)database,the study identified distinct gene expression patterns in *** samples were categorized into TIL-Bs inhibition and TIL-Bs activation groups using unsupervised *** classification was further validated with TCGA HNSCC data,correlating with patient prognosis,immune cell infiltration,and response to *** found that the B cells activation group exhibited a better prognosis,higher immune cell infiltration,and distinct immune checkpoint levels,including elevated PD-L1.A prognostic model was also developed and validated,highlighting four genes as potential biomarkers for predicting survival outcomes in HNSCC ***,this study provides a foundational approach for B cells-based tumor classification in HNSCC,offering insights into targeted treatment and immunotherapy strategies.

关键词： prognosis elevated offering

Seasonal constraint of dynamic water temperature on riverine dissolved inorganic nitrogen transport in land surface modeling

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Atmospheric and Oceanic Science Letters 2024年第4期17卷 35-40页

作者： shuang Liu Kaiheng Hu Zhenghui Xie yan Wang State Key Laboratory of Mountain Hazards and Engineering Safety Institute of Mountain Hazards and EnvironmentChinese Academy of SciencesChengduChina State Key Laboratory of Numerical Modeling for Atmospheric Sciences and Geophysical Fluid Dynamics Institute of Atmospheric PhysicsChinese Academy of SciencesBeijingChina The National Key Laboratory of Water Disaster Prevention Nanjing Hydraulic Research InstituteNanjingChina

水体温度变化对河流可溶性无机氮(DIN)输送有着强烈控制作用.然而,在全球尺度上河流DIN输送量对水温度变化的响应尚不清楚.因此,本文基于陆面过程模式,耦合河流水温估算和DIN传输方案,设定有,无动态水温情景,对比研究陆面模拟中水温变... 详细信息

水体温度变化对河流可溶性无机氮(DIN)输送有着强烈控制作用.然而,在全球尺度上河流DIN输送量对水温度变化的响应尚不清楚.因此,本文基于陆面过程模式,耦合河流水温估算和DIN传输方案,设定有,无动态水温情景,对比研究陆面模拟中水温变化对河流DIN通量变化的影响.结果表明:在考虑水温动态变化后,在30°N和30°S之间, DIN通量年振幅减小5%–25%.在中国东部地区,水温动态变化使河流DIN通量在夏季减少1%–3%,在冬季增加1%–5%,对DIN通量具有明显的季节性约束作用,表明动态水温的表达在河流DIN输送模拟中的重要性.

关键词：陆面模拟河流氮输送水温变化季节变化全球尺度