检索结果-内蒙古大学图书馆

Polyoxometalate-Cyclodextrin-Based Cluster-Organic Supramolecular Framework for Polysulfide Conversion and Guest–Host Recognition in Lithium-sulfur Batteries

引用

Angewandte Chemie 2023年第36期135卷

作者： Prof. Lubin Ni Jie Gu Xinyuan Jiang Hongjie Xu Zhen Wu Yuchao Wu Yi Liu Prof. Ju Xie Prof. Yongge Wei Prof. Guowang Diao School of Chemistry and Chemical Engineering Yangzhou University Yangzhou 225002 Jiangsu P. R. China Contribution: Conceptualization (lead) Data curation (lead) Funding acquisition (lead) Methodology (lead) Project administration (lead) Supervision (lead) Writing - original draft (lead) Writing - review & editing (lead) Contribution: Data curation (lead) Formal analysis (lead) Investigation (lead) Contribution: Data curation (equal) Formal analysis (equal) Investigation (equal) Resources (equal) Software (equal) Contribution: Data curation (equal) Investigation (equal) Software (equal) Contribution: Data curation (equal) Investigation (equal) Software (equal) Validation (equal) Visualization (equal) Contribution: Validation (equal) Visualization (equal) Contribution: Methodology (equal) Visualization (equal) Key Lab of Organic Optoelectronics & Molecular Engineering of Ministry of Education Department of Chemistry Tsinghua University Beijing 100084 P. R. China Contribution: Conceptualization (equal) Project administration (equal) Resources (equal) Supervision (lead) Writing - original draft (equal) Writing - review & editing (lead) Contribution: Resources (lead) Supervision (equal) Writing - review & editing (lead)

Developing polyoxometalate-cyclodextrin cluster-organic supramolecular framework (POM-CD-COSF) still remains challenging due to an extremely difficult task in rationally interconnecting two dissimilar building blocks. Here we report an unprecedented POM-CD-COSF crystalline structure produced through the self-assembly process of a Krebs -type POM, [Zn 2 (WO 2 ) 2 (SbW 9 O 33 ) 2 ] 10− , and two β-CD units. The as-prepared POM-CD-COSF-based battery separator can be applied as a lightweight barrier (approximately 0.3 mg cm −2 ) to mitigate the polysulfide shuttle effect in lithium-sulfur batteries. The designed Li−S batteries equipped with the POM-CD-COSF modified separator exhibit remarkable electrochemical performance, attributed to fast Li + diffusion through the supramolecular channel of β-CD, efficient polysulfide-capture ability by the dynamic host–guest interaction of β-CD, and improved sulfur redox kinetics by the bidirectional catalysis of POM cluster. This research provides a broad perspective for the development of multifunctional supramolecular POM frameworks and their applications in Li−S batteries.

关键词： Cluster-Organic Supramolecular Framework Cyclodextrin Lithium–Sulfur Batteries Polyoxometalates Polysulfide

来源：评论

学校读者我要写书评

暂无评论

Revealing secrets in SPARQL session level

arXiv

引用

arXiv 2020年

作者： Zhang, Xinyue Wang, Meng Saleem, Muhammad Ngomo, Axel-Cyrille Ngonga Qi, Guilin Wang, Haofen School of Computer Science and Engineering Southeast University Nanjing China Ministry of Education Nanjing China AKSW Leipzig University Leipzig Germany University of Paderborn Paderborn Germany Intelligent Big Data Visualization Lab Tongji University Shanghai China

Based on Semantic Web technologies, knowledge graphs help users to discover information of interest by using live SPARQL services. Answer-seekers often examine intermediate results iteratively and modify SPARQL queries repeatedly in a search session. In this context, understanding user behaviors is critical for effective intention prediction and query optimization. However, these behaviors have not yet been researched systematically at the SPARQL session level. This paper reveals secrets of session-level user search behaviors by conducting a comprehensive investigation over massive real-world SPARQL query logs. In particular, we thoroughly assess query changes made by users w.r.t. structural and data-driven features of SPARQL queries. To illustrate the potentiality of our findings, we employ an application example of how to use our findings, which might be valuable to devise efficient SPARQL caching, auto-completion, query suggestion, approximation, and relaxation techniques in the future. Copyright © 2020, The Authors. All rights reserved.

关键词： Query processing

来源：评论

学校读者我要写书评

暂无评论

A generative artificial intelligence framework based on a molecular diffusion model for the design of metal–organic frameworks for carbon capture

arXiv

引用

arXiv 2023年

作者： Park, Hyun Yan, Xiaoli Zhu, Ruijie Huerta, Eliu A. Chaudhuri, Santanu Cooper, Donny Foster, Ian Tajkhorshid, Emad Data Science and Learning Division Argonne National Laboratory LemontIL60439 United States Theoretical and Computational Biophysics Group NIH Resource Center for Macromolecular Modeling and Visualization Beckman Institute for Advanced Science and Technology University of Illinois at Urbana-Champaign UrbanaIL61801 United States Center for Biophysics and Quantitative Biology University of Illinois at Urbana-Champaign UrbanaIL61801 United States Multiscale Materials and Manufacturing Lab University of Illinois Chicago ChicagoIL60607 United States Department of Materials Science and Engineering Northwestern University EvanstonIL60208 United States Department of Computer Science University of Chicago ChicagoIL60637 United States Department of Physics University of Illinois at Urbana-Champaign UrbanaIL61801 United States Computational Science and Engineering Data Science and AI Department TotalEnergies EP Research & Technology USA LLC HoustonTX77002 United States Department of Biochemistry University of Illinois at Urbana-Champaign UrbanaIL61801 United States

Metal–organic frameworks (MOFs) exhibit great promise for CO2 capture. However, finding the best performing materials poses computational and experimental grand challenges in view of the vast chemical space of potential building blocks. Here, we introduce GHP-MOFassemble, a generative artificial intelligence (AI), high performance framework for the rational and accelerated design of MOFs with high CO2 adsorption capacity and synthesizable linkers. GHP-MOFassemble generates novel linkers, assembled with one of three pre-selected metal nodes (Cu paddlewheel, Zn paddlewheel, Zn tetramer) into MOFs in a primitive cubic topology. GHP-MOFassemble screens and validates AI-generated MOFs for uniqueness, synthesizability, structural validity, uses molecular dynamics simulations to study their stability and chemical consistency, and crystal graph neural networks and Grand Canonical Monte Carlo simulations to quantify their CO2 adsorption capacities. We present the top six AI-generated MOFs with CO2 capacities greater than 2m molg−1, i.e., higher than 96.9% of structures in the hypothetical MOF dataset. Copyright © 2023, The Authors. All rights reserved.

关键词： Carbon dioxide

来源：评论

学校读者我要写书评

暂无评论

An Activatable Near-Infrared Fluorescent Probe for Precise Detection of the Pulmonary Metastatic Tumors: A Traditional Molecule Having a Stunning Turn

引用

Angewandte Chemie 2023年第48期135卷

作者： Qian Jia Ruili Zhang Haohao Yan Yanbin Feng Fang Sun Zuo Yang Chaoqiang Qiao Xiaocheng Mou Prof. Jie Tian Prof. Zhongliang Wang Lab of Molecular Imaging and Translational Medicine (MITM) Engineering Research Center of Molecular & Neuroimaging Ministry of Education School of Life Science and Technology Xidian University Xi'an Shaanxi 710126 China Contribution: Data curation (lead) Formal analysis (equal) Funding acquisition (supporting) Investigation (lead) Methodology (lead) Visualization (equal) Writing - original draft (supporting) Writing - review & editing (supporting) Contribution: Conceptualization (supporting) Formal analysis (equal) Project administration (supporting) Supervision (supporting) Writing - original draft (lead) Writing - review & editing (supporting) Contribution: Data curation (equal) Formal analysis (supporting) Methodology (equal) Validation (equal) Writing - review & editing (supporting) Contribution: Validation (equal) Visualization (supporting) Writing - review & editing (supporting) Contribution: Formal analysis (supporting) Validation (equal) Visualization (supporting) Writing - review & editing (supporting) Contribution: Visualization (equal) Writing - review & editing (supporting) Contribution: Validation (supporting) Visualization (supporting) Writing - review & editing (supporting) Contribution: Validation (supporting) Contribution: Conceptualization (supporting) Supervision (supporting) Contribution: Conceptualization (lead) Formal analysis (equal) Funding acquisition (lead) Project administration (lead) Supervision (lead) Writing - review & editing (lead)

An accurate detection of lung metastasis is of great significance for making better treatment choices and improving cancer prognosis, but remains a big challenge in clinical practice. In this study, we propose a reinventing strategy to develop a pH-activatable near-infrared (NIR) fluorescent nanoprobe, pulmonary metastasis tracer (denoted as PMT), based on assembly of NIR dye IR780 and calcium phosphate (CaP). By delicately tuning the intermolecular interactions during the assembly process and dye doping content, as well as the synthetic condition of probe, the fluorescence of PMT could be finely adjusted via the tumor acidity-triggered disassembly. Notably, the selected PMT9 could sharply convert subtle pH variations into a distinct fluorescence signal to generate high fluorescence ON/OFF contrast, dramatically reducing the background signals. Benefiting from such preferable features, PMT9 is able to precisely identify not only the tumor sites in orthotopic lung cancer models but also the pulmonary metastases in mice with remarkable signal-to-background ratio (SBR). This study provides a unique strategy to turn shortcomings of traditional dye IR780 during in vivo imaging into advantages and further expand the application of fluorescent probe to image lung associated tumor lesions.

关键词： Assembly Molecular Probes NIR Fluorescence Pulmonary Metastatic Tumors

来源：评论

学校读者我要写书评

暂无评论

Automatically dataset augmentation using virtual human simulation

arXiv

引用

arXiv 2019年

作者： Ghilardi, Marcelo C. Dihl, Leandro Testa, Estevão Braga, Pedro Pianta, João P. Manssour, Isabel H. Musse, Soraia R. DaVint - Data Visualization and Interaction Lab VHLab - Virtual Human Simulation Lab School of Technology PUCRS-Pontifical Catholic University of Rio Grande do Sul Porto Alegre Brazil

Virtual Human Simulation has been widely used for different purposes, such as comfort or accessibility analysis. In this paper, we investigate the possibility of using this type of technique to extend the training datasets of pedestrians to be used with machine learning techniques. Our main goal is to verify if Computer Graphics (CG) images of virtual humans with a simplistic rendering can be efficient in order to augment datasets used for training machine learning methods. In fact, from a machine learning point of view, there is a need to collect and label large datasets for ground truth, which sometimes demands manual annotation. In addition, find out images and videos with real people and also provide ground truth of people detection and counting is not trivial. If CG images, which can have a ground truth automatically generated, can also be used as training in machine learning techniques for pedestrian detection and counting, it can certainly facilitate and optimize the whole process of event detection. In particular, we propose to parametrize virtual humans using a data-driven approach. Results demonstrated that using the extended datasets with CG images outperforms the results when compared to only real images sequences. Copyright © 2019, The Authors. All rights reserved.

关键词： Large dataset

来源：评论

学校读者我要写书评

暂无评论

Dynamic class learning approach for smart CBIR 6th

Dynamic class learning approach for smart CBIR

引用

6th National Conference on Computer Vision, Pattern Recognition, Image Processing and Graphics, NCVPRIPG 2017

作者： Pahariya, Girraj Ravindran, Balaraman Das, Sukhendu Department of Computer Science and Engineering IIT Madras Chennai India Robert Bosch Centre for Data Science and AI IIT Madras Chennai India Visualization and Perception Lab IIT Madras Chennai India

ISBN: (纸本)9789811300196

Smart Content Based Image Retrieval (CBIR) helps to simultaneously localize and recognize all object(s) present in a scene, for image retrieval task. The major drawbacks in such kind of system are: (a) overhead for addition of new class is high - addition of new class requires manual annotation of large number of samples and retraining of an entire object model;and (b) use of handcrafted features for recognition and localization task, which limits its performance. In this era of data proliferation where it is easy to discover new object categories and hard to label all of them i.e. less amount of labeled samples for training which raises the above mentioned drawbacks. In this work, we propose an approach which cuts down the overhead of labelling the data and re-training on an entire module to learn new classes. The major components in proposed framework are: (a) selection of an appropriate pre-trained deep model for learning a new class;and (b) learning new class by utilizing selected deep model with less supervision (i.e. with the least amount of labeled data) using a concept of triplet learning. To show the effectiveness of the proposed technique of new class learning, we have performed an evaluation on CIFAR-10, PASCAL VOC2007 and Imagenet datasets. © Springer Nature Singapore Pte Ltd. 2018.

关键词： Content based retrieval

来源：评论

学校读者我要写书评

暂无评论

EcoLens: Visual analysis of urban region dynamics using traffic data

arXiv

引用

arXiv 2019年

作者： Jin, Zhuochen Cao, Nan Shi, Yang Tong, Hanghang Wu, Yingcai Intelligent Big Data Visualization Lab Tongji University Shanghai China School of Computing Informatics and Decision Systems Engineering Arizona State University United States College of Computer Science and Technology Zhejiang University Hangzhou Zhejiang China

The rapid development of urbanization during the past decades has significantly improved people's lives but also introduced new challenges on effective functional urban planning and transportation management. The functional regions defined based on a static boundary rarely reflect an individual's daily experience of the space in which they live and visit for a variety of purposes. Fortunately, the increasing availability of spatiotemporal data provides unprecedented opportunities for understanding the structure of an urban area in terms of people's activity pattern and how they form the latent regions over time. These ecological regions, where people temporarily share a similar moving behavior during a short period of time, could provide insights into urban planning and smart-city services. However, existing solutions are limited in their capacity of capturing the evolutionary patterns of dynamic latent regions within urban context. In this work, we introduce an interactive visual analysis approach, EcoLens, that allows analysts to progressively explore and analyze the complex dynamic segmentation patterns of a city using traffic data. We propose an extended non-negative Matrix Factorization based algorithm smoothed over both spatial and temporal dimensions to capture the spatiotemporal dynamics of the city. The algorithm also ensures the orthogonality of its result to facilitate the interpretation of different patterns. A suite of visualizations is designed to illustrate the dynamics of city segmentation and the corresponding interactions are added to support the exploration of the segmentation patterns over time. We evaluate the effectiveness of our system via case studies using a real-world dataset and a qualitative interview with the domain expert. Copyright © 2019, The Authors. All rights reserved.

关键词： Non-negative matrix factorization

来源：评论

学校读者我要写书评

暂无评论

Probability-turbulence divergence: A tunable allotaxonometric instrument for comparing heavy-tailed categorical distributions

arXiv

引用

arXiv 2020年

作者： Dodds, Peter Sheridan Minot, Joshua R. Arnold, Michael V. Alshaabi, Thayer Adams, Jane Lydia Reagan, Andrew J. Danforth, Christopher M. Computational Story Lab Vermont Complex Systems Center MassMutual Center of Excellence for Complex Systems and Data Science University of Vermont BurlingtonVT05401 United States Vermont Advanced Computing Center University of Vermont BurlingtonVT05401 United States Department of Computer Science University of Vermont BurlingtonVT05401 United States Santa Fe Institute 1399 Hyde Park Rd Santa FeNM87501 United States MassMutual Data Science AmherstMA01002 United States Howard Hughes Medical Institute University of California Berkeley BerkeleyCA94720 United States Data Visualization Lab Khoury College of Computer Sciences Northeastern University BostonMA United States Department of Mathematics & Statistics University of Vermont BurlingtonVT05401 United States

Real-world complex systems often comprise many distinct types of elements as well as many more types of networked interactions between elements. When the relative abundances of types can be measured well, we further observe heavy-tailed categorical distributions for type frequencies. For the comparison of type frequency distributions of two systems or a system with itself at different time points in time—a facet of allotaxonometry—a great range of probability divergences are available. Here, we introduce and explore ‘probability-turbulence divergence’, a tunable, straightforward, and interpretable instrument for comparing normalizable categorical frequency distributions. We model probability-turbulence divergence (PTD) after rank-turbulence divergence (RTD). While probability-turbulence divergence is more limited in application than rank-turbulence divergence, it is more sensitive to changes in type frequency. We build allotaxonographs to display probability turbulence, incorporating a way to visually accommodate zero probabilities for ‘exclusive types’ which are types that appear in only one system. We explore comparisons of example distributions taken from literature, social media, and ecology. We show how probability-turbulence divergence either explicitly or functionally generalizes many existing kinds of distances and measures, including, as special cases, L(p) norms, the Sørensen-Dice coefficient (the F1 statistic), and the Hellinger distance. We discuss similarities with the generalized entropies of Rényi and Tsallis, and the diversity indices (or Hill numbers) from ecology. We close with thoughts on open problems concerning the optimization of the tuning of rank- and probability-turbulence divergence. Copyright © 2020, The Authors. All rights reserved.

关键词： Normal distribution

来源：评论

学校读者我要写书评

暂无评论

Biaxially-Strained Phthalocyanine at Polyoxometalate@Carbon Nanotube Heterostructure Boosts Oxygen Reduction Catalysis

引用

Angewandte Chemie 2023年第42期135卷

作者： Prof. Sheng Zhu Lingtong Ding Xuehuan Zhang Kun Wang Prof. Xiao Wang Prof. Feng Yang Prof. Gaoyi Han Institute of Molecular Science Key Lab of Materials for Energy Conversion and Storage of Shanxi Province Key Laboratory of Chemical Biology and Molecular Engineering of Education Ministry Shanxi University Taiyuan 030006 China Institute for Carbon-Based Thin Film Electronics Peking University Shanxi (ICTFE-PKU) Taiyuan 030012 China Contribution: Formal analysis (lead) Funding acquisition (lead) Methodology (lead) Resources (lead) Writing - original draft (lead) Writing - review & editing (lead) Institute of Technology for Carbon Neutrality Shenzhen Institute of Advanced Technology Chinese Academy of Sciences Shenzhen 518055 China Contribution: Data curation (equal) Methodology (equal) Validation (equal) Visualization (equal) Contribution: Formal analysis (supporting) Investigation (supporting) Department of Chemistry Southern University of Science and Technology Shenzhen 518055 China Contribution: Formal analysis (equal) Funding acquisition (supporting) Methodology (supporting) Visualization (equal) Writing - review & editing (supporting) Contribution: Funding acquisition (supporting) Investigation (equal) Methodology (equal) Writing - review & editing (supporting) Contribution: Project administration (supporting) Supervision (equal)

Iron phthalocyanine (FePc) with unique FeN 4 site has attracted increasing interests as a promising non-precious catalyst. However, the plane symmetric structure endows FePc with undesired catalytic performance toward the oxygen reduction reaction (ORR). Here, we report a novel one-dimensional heterostructured ORR catalyst by coupling FePc at polyoxometalate-encapsulated carbon nanotubes (FePc-{PW 12 }@NTs) using host-guest chemistry. The encapsulation of polyoxometalates can induce a local tensile strain of single-walled NTs to strengthen the interactions with FePc. Both the strain and curvature effects of {PW 12 }@NT scaffold tune the geometric structure and electronic localization of FeN 4 centers to enhance the ORR catalytic performance. As expected, such a heterostructured FePc-{PW 12 }@NT electrocatalyst exhibits prominent durability, methanol tolerance, and ORR activity with a high half-wave potential of 0.90 V and a low Tafel slope of 30.9 mV dec −1 in alkaline medium. Besides, the assembled zinc-air battery demonstrates an ultrahigh power density of 280 mW cm −2 , excellent charge/discharge ability and long-term stability over 500 h, outperforming that of the commercial Pt/C+IrO 2 cathode. This study offers a new strategy to design novel heterostructured catalysts and opens a new avenue to regulate the electrocatalytic performance of phthalocyanine molecules.

关键词： Carbon Nanotubes Electrocatalyst Oxygen Reduction Phthalocyanine Polyoxometalates

来源：评论

学校读者我要写书评

暂无评论

Quantitative Single-Molecule Electrochemiluminescence Bioassay

引用

Angewandte Chemie 2022年第7期135卷

作者： Wenxin Zhu Jinrun Dong Guoxiang Ruan Yuan Zhou Prof. Jiandong Feng Laboratory of Experimental Physical Biology Department of Chemistry Zhejiang University Hangzhou 310027 China Contribution: Data curation (lead) Formal analysis (lead) Investigation (lead) Methodology (lead) Validation (equal) Visualization (lead) Writing - original draft (equal) Writing - review & editing (supporting) Contribution: Data curation (equal) Formal analysis (equal) Investigation (equal) Methodology (equal) Validation (equal) Department of Laboratory Medicine Key Laboratory of Clinical In Vitro Diagnostic Techniques of Zhejiang Province Institute of Laboratory Medicine the First Affiliated Hospital School of Medicine Zhejiang University Hangzhou 310003 China Contribution: Data curation (supporting) Formal analysis (supporting) Resources (lead) Validation (supporting) Contribution: Investigation (supporting) Validation (lead) Research Center for Quantum Sensing Research Institute of Intelligent Sensing Zhejiang Lab Hangzhou 311121 China Contribution: Conceptualization (lead) Funding acquisition (lead) Methodology (lead) Supervision (lead) Validation (lead) Writing - review & editing (lead)

A single-molecule electrochemiluminescence bioassay is developed here which allows imaging and direct quantification of single biomolecules. Imaging single biomolecules is realized by localizing the electrochemiluminescence events of the labeled molecules. Such an imaging system allows mapping the spatial distribution of biomolecules with electrochemiluminescence and contains quantitative single-molecule insights. We further quantify biomolecules by spatiotemporally merging the repeated reactions at one molecule site and then counting the clustered molecules. The proposed single-molecule electrochemiluminescence bioassay is used to detect carcinoembryonic antigen, showing a limit of detection of 67 attomole concentration which is 10 000 times better than conventional electrochemiluminescence bioassays. This spatial resolution and sensitivity enable single-molecule electrochemiluminescence bioassay a new toolbox for both specific bioimaging and ultrasensitive quantitative analysis.

关键词： Electrochemiluminescence Quantitative Imaging Single-Molecule Bioassay Super-Resolution Microscopy

来源：评论

学校读者我要写书评

暂无评论

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案：

请选择收藏分类：

通借通还

建议与咨询 留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

时间限定

文献类型

馆藏选择

核心期刊

语言

文献类型

帮助

文字说明：

检索规则说明：

检索范例：

分类表

所选分类

限定检索结果

文献类型

馆藏范围

日期分布

学科分类号

主题

机构

作者

语言

请选择保存的检索档案： 新增检索档案 确定 取消

请选择收藏分类： 新增自定义分类 确定 取消

通借通还

建议与咨询留下您的常用邮箱和电话号码，以便我们向您反馈解决方案和替代方法

请选择保存的检索档案：

请选择收藏分类：