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arXiv 2020年

作者： Li, Jiacheng Ma, Xiaoliang Guo, Shuai Hou, Chengyu Shi, Liping Zhang, Hongchi Zheng, Bing Liao, Chencheng Yang, Lin Ye, Lin He, Xiaodong National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Center for Composite Materials and Structures Harbin Institute of Technology Harbin150080 China School of Electronics and Information Engineering Harbin Institute of Technology Harbin150080 China School of Chemistry and Materials Science Heilongjiang University Harbin150001 China School of Aerospace Mechanical and Mechatronic Engineering University of Sydney NSW2006 Australia Shenzhen STRONG Advanced Materials Research Institute Co. Ltd Shenzhen518035 China

A recent experimental study found that the binding affinity between the cellular receptor human angiotensin converting enzyme 2 (ACE2) and receptor-binding domain (RBD) in spike (S) protein of novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is more than 10-fold higher than that of the original severe acute respiratory syndrome coronavirus (SARS-CoV). However, main-chain structures of the SARS-CoV-2 RBD are almost the same with that of the SARS-CoV RBD. Understanding physical mechanism responsible for the outstanding affinity between the SARS-CoV-2 S and ACE2 is the "urgent challenge" for developing blockers, vaccines and therapeutic antibodies against the coronavirus disease 2019 (COVID-19) pandemic. Considering the mechanisms of hydrophobic interaction, hydration shell, surface tension, and the shielding effect of water molecules, this study reveals a hydrophobic-interaction-based mechanism by means of which SARS-CoV-2 S and ACE2 bind together in an aqueous environment. The hydrophobic interaction between the SARS-CoV-2 S and ACE2 protein is found to be significantly greater than that between SARS-CoV S and ACE2. At the docking site, the hydrophobic portions of the hydrophilic side chains of SARS-CoV-2 S are found to be involved in the hydrophobic interaction between SARS-CoV-2 S and ACE2. We propose a method to design live attenuated viruses by mutating several key amino acid residues of the spike protein to decrease the hydrophobic surface areas at the docking site. Mutation of a small amount of residues can greatly reduce the hydrophobic binding of the coronavirus to the receptor, which may be significant reduce infectivity and transmissibility of the virus. Copyright © 2020, The Authors. All rights reserved.

关键词： Hydrophobicity

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Bio-templated formation of defect-abundant VS_2 as a bifunctional material toward high-performance hydrogen evolution reactions and lithium-sulfur batteries

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Journal of Energy Chemistry 2020年 42卷 34-42页

作者： Guo Tianqi Song Yingze Sun Zhongti Wu Yuhan Xia Yu Li Yayun Sun Jianhui Jiang Kai Dou Shixue Sun Jingyu School of Environment Henan Normal University Key Laboratory for Yellow River and Huai River Water Environmental and Pollution Control-Ministry of Education Henan Xinxiang 453007 College of Energy Soochow Institute for Energy and Materials Innovations Soochow University Key Laboratory of Advanced Carbon Materials and Wearable Energy Technologies of Jiangsu Province Jiangsu Suzhou 215006 College of Materials Science and Engineering Shenzhen University Shenzhen Key Laboratory of Special Functional Materials Shenzhen Engineering Laboratory for Advance Technology of Ceramics Guangdong Shenzhen 518060 Institute for Superconducting and Electronic Materials University of Wollongong Australia Wollongong NSW 2522

Transition metal chalcogenides have nowadays garnered burgeoning interest owing to their fascinating electronic and catalytic properties, thus possessing great implications for energy conversion and storage applications. In this regard, their controllable synthesis in a large scale at low cost has readily become a focus of research. Herein we report diatomite-template generic and scalable production of VS_2 and other transition metal sulfides targeting emerging energy conversion and storage applications. The conformal growth of VS_2 over diatomite template would endow them with defect-abundant features. Throughout detailed experimental investigation in combination with theoretical simulation, we reveal that the enriched active sites/sulfur vacancies of thus-derived VS_2 architectures would pose positive impacts on the catalytic performance such in electrocatalytic hydrogen evolution reactions. We further show that the favorable electrical conductivity and highly exposed sites of VS_2 hold promise for serving as sulfur host in the realm of Li-S batteries. Our work offers new insights into the templated and customized synthesis of defect-rich sulfides in a scalable fashion to benefit multifunctional energy applications.

关键词： Bio-templated Vanadium disulfide Defect-abundant Hydrogen evolution reaction Lithium-sulfur batteries

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The role of hydrophobic interactions in folding of β-sheets

arXiv

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arXiv 2020年

作者： Li, Jiacheng Ma, Xiaoliang Zhang, Hongchi Hou, Chengyu Shi, Liping Guo, Shuai Liao, Chenchen Zheng, Bing Ye, Lin Yang, Lin He, Xiaodong National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Center for Composite Materials and Structures Harbin Institute of Technology Harbin150080 China School of Electronics and Information Engineering Harbin Institute of Technology Harbin150080 China School of Chemistry and Materials Science Heilongjiang University Harbin150001 China School of Aerospace Mechanical and Mechatronic Engineering University of Sydney NSW2006 Australia Shenzhen STRONG Advanced Materials Research Institute Co. Ltd Shenzhen518035 China

Exploring the protein-folding problem has been a long-standing challenge in molecular biology. Protein folding is highly dependent on folding of secondary structures as the way to pave a native folding pathway. Here, we demonstrate that a feature of a large hydrophobic surface area covering most side-chains on one side or the other side of adjacent β-strands of a β-sheet is prevail in almost all experimentally determined β-sheets, indicating that folding of β-sheets is most likely triggered by multistage hydrophobic interactions among neighbored side-chains of unfolded polypeptides, enable β-sheets fold reproducibly following explicit physical folding codes in aqueous environments. β-turns often contain five types of residues characterized with relatively small exposed hydrophobic proportions of their side-chains, that is explained as these residues can block hydrophobic effect among neighbored side-chains in sequence. Temperature dependence of the folding of β-sheet is thus attributed to temperature dependence of the strength of the hydrophobicity. The hydrophobic-effect-based mechanism responsible for β-sheets folding is verified by bioinformatics analyses of thousands of results available from experiments. The folding codes in amino acid sequence that dictate formation of a β-hairpin can be deciphered through evaluating hydrophobic interaction among side-chains of an unfolded polypeptide from a β-strandlike thermodynamic metastable state. Copyright © 2020, The Authors. All rights reserved.

关键词： Hydrophobicity

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Corrigendum to “Roles of twisting-compression operations on mechanical enhancement of carbon nanotube fibers” [Carbon 172 (2021) 41–49]

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Carbon 2021年 176卷 659-659页

作者： Yushun Zhao Fuhua Xue Linlin Miao Chao Wang Chao Sui Qingyu Peng Xiaodong He Center for Composite Materials and Structures Harbin Institute of Technology Harbin 150080 China National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of Technology Harbin 150080 PR China Shenzhen STRONG Advanced Materials Research Institute Co. Ltd Shenzhen 518000 China

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An overview on low-density ablators

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Harbin Gongye Daxue Xuebao/Journal of Harbin Institute of technology 2018年第5期50卷 1-11页

作者： Cheng, Haiming Hong, Changqing Zhang, Xinghong State Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of Technology Harbin150080 China

With the development of deep-space exploration, low-density ablators have received increased attention due to their distinguished features such as good ablation performance and low structure weight to fulfill the requirement of lightweight, low ablation rate, low thermal conductivity and long re-entry time of thermal protection for heatshield and backshell of planetary entry probes and re-entry capsules. The historical prospects on development of low-density ablative thermal protection systems and materials were introduced with emphasis on low-density honeycomb reinforced silicon rubber, phenolic and organic silicone resin ablators, as well as the typical representative of light weight ceramic ablators (LCAs) such as silicone impregnated reusable ceramic ablator (SIRCA) and phenolic impregnated carbon ablator (PICA). According to the task requirements of China's new-generation manned spacecraft, including low earth orbit flight mission, as well as manned flights to the Moon, the asteroid and the Mars, the progress of basic and applied research on lightweight thermal protection system for the spacecraft was presented. And then, it analyzes the technology gap between domestic and foreign, and provides several suggestions concerning the prospects of China's low-density ablators. © 2018, Editorial Board of Journal of Harbin Institute of technology. All right reserved.

关键词： Heat shielding

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Unlocking the door to highly efficient Ag-based nanoparticles catalysts for NaBH4-assisted nitrophenol reduction

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Nano Research 2019年第10期12卷 2407-2436页

作者： Guangfu Liao Yan Gong Liu Zhong Jiasheng Fang Li Zhang Zushun Xu Haiyang Gao Baizeng Fang School of Materials Science and Engineering Key L aboratory for Polymeric Composite and Functional Materials of Ministry of EducationGuangdong Laboratory of High-Performance Polymer CompositesSun Yat-sen UniversityGuangzhou 510275China Department of Biomaterials College of MaterialsXiamen UniversityXiamen 361005China School of Environment and Civil Engineering Dongguan University of TechnologyDongguan 52308China Department of Chemistry City University of Hong KongHong Kong 999077China Hubei Collaborative Innovation Center for Advanced Organic Chemical Materials Ministry cf Education Key Laboratory for The Green Preparation and Application of Functional MaterialHubei UniversityWuhan 430062China Department of Chemical&Biological Engineering University of British Columbia2360 East MallVancouverBCV6T1Z3Canada

Ag-based nano particles(NPs)catalysts have recently attracted in creasi ng atte ntion in NaBH4-assisted n itrophe nol reducti on,especially in 4?n itrophe nol(4?NP)reducti ***,Ag-based NPs catalysts are con sidered to be very promising for practical applicati ons because of their fascinating advantages,e.g.,easy preparation,relatively low cost and less toxicity,high activity and good ***,the size and shape of Ag NPs are well known as the key factors for achieving highly efficient catalytic reduction of *** this review,three highly efficient Ag-based NPs catalysts(supported Ag NPs,anisotropic Ag NPs and bimetallic Ag NPs)are highlighted for the 4-NP reduction,in eluding the catalytic mecha nism and reactio n rate caused by their adjustments in size and *** high catalytic activity has bee n demonstrated by several Ag-based NPs catalysts,further improvement in the catalytic performance is still *** terms of the most recent progress in Ag-based NPs catalysts for 4?NP reduction,this review provides a comprehensive assessment on the material selection,synthesis and catalytic characterizations of these ***,this review aims to correlate the catalytic performance of Ag-based NPs catalysts with their size and shape,guiding the development of novel cost-effective and high-performance catalysts.

关键词： Ag-based nanoparticles catalysts catalytic reduction 4-nitrophenol catalytic activity stability

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Reconstruction of Solid Electrolyte Interphase with SrI2Reactivates Dead Li for Durable Anode-Free Li-Metal Batteries

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Angewandte Chemie 2023年第23期135卷

作者： Dr. Liwei Dong Dr. Shijie Zhong Dr. Botao Yuan Dr. Yaqiang Li Dr. Jipeng Liu Dr. Yuanpeng Ji Dr. Dongjiang Chen Dr. Yuanpeng Liu Prof. Chunhui Yang Prof. Jiecai Han Prof. Weidong He National Key Laboratory of Science and Technology on Advanced Composites in Special Environments and Center for Composite Materials and Structures Harbin Institute of Technology Harbin 150080 China MIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage School of Chemistry and Chemical Engineering Harbin Institute of Technology Harbin 150080 China State Key Laboratory of Urban Water Resource and Environment Harbin Institute of Technology Harbin 150080 China Contribution: Conceptualization (lead) Data curation (lead) Writing - original draft (lead) Contribution: Conceptualization (equal) Data curation (equal) Contribution: Data curation (equal) Investigation (equal) Contribution: Data curation (supporting) Writing - original draft (supporting) Contribution: Conceptualization (supporting) Data curation (supporting) Chongqing Research Institute Harbin Institute of Technology Chongqing 401151 China Contribution: Investigation (supporting) Writing - review & editing (supporting) Contribution: Data curation (supporting) Investigation (supporting) Contribution: Project administration (supporting) Resources (supporting) Contribution: Conceptualization (supporting) Project administration (supporting) Resources (supporting) School of Mechanical Engineering Chengdu University Chengdu 610106 China Contribution: Conceptualization (equal) Project administration (equal) Writing - original draft (equal)

Without excess Li, anode-free Li-metal batteries (AFLMBs) have been proposed as the most likely solution to realizing highly-safe and cost-effective Li-metal batteries. Nevertheless, short cyclic life puzzles conventional AFLMBs due to anodic dead Li accumulation with a local current concentration induced by irreversible electrolyte depletion, insufficient active Li reservoir and slow Li + transfer at the solid electrolyte interphase (SEI). Herein, SrI 2 is introduced into carbon paper (CP) current collector to effectively suppress dead Li through synergistic mechanisms including reversible I − /I 3 − redox reaction to reactivate dead Li, dielectric SEI surface with SrF 2 and LiF to prevent electrolyte decomposition and highly ionic conductive (3.488 mS cm −1 ) inner layer of SEI with abundant LiI to enable efficient Li + transfer inside. With the SrI 2 -modified current collector, the NCM532/CP cell delivers unprecedented cyclic performances with a capacity of 129.2 mAh g −1 after 200 cycles.

关键词： Anode-Free Li-Metal Batteries Current Collector Dead Li SrF2 SrI2

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Author Correction: Lead halide perovskite vortex microlasers

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Nature communications 2021年第1期12卷 2565页

作者： Wenzhao Sun Yilin Liu Geyang Qu Yubin Fan Wei Dai Yuhan Wang Qinghai Song Jiecai Han Shumin Xiao State Key Laboratory on Tunable laser Technology Ministry of Industry and Information Technology Key Lab of Micro-Nano Optoelectronic Information System Shenzhen Graduate School Harbin Institute of Technology 518055 Shenzhen PR China. Collaborative Innovation Center of Extreme Optics Shanxi University Taiyuan 030006 Shanxi PR China. National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of Technology 150080 Harbin PR China. State Key Laboratory on Tunable laser Technology Ministry of Industry and Information Technology Key Lab of Micro-Nano Optoelectronic Information System Shenzhen Graduate School Harbin Institute of Technology 518055 Shenzhen PR China. shumin.xiao@***. Collaborative Innovation Center of Extreme Optics Shanxi University Taiyuan 030006 Shanxi PR China. shumin.xiao@***. National Key Laboratory of Science and Technology on Advanced Composites in Special Environments Harbin Institute of Technology 150080 Harbin PR China. shumin.xiao@***.

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Shape-memory polymer nanocomposites with a 3D conductive network for bidirectional actuation 21

Shape-memory polymer nanocomposites with a 3D conductive net...

引用

21st International Conference on Composite Materials, ICCM 2017

作者： Zhao, Xu Peng, Qingyu He, Xiaodong Li, Yibin Science and Technology on Advanced Composites in Special Environment Laboratory Harbin China

Electrical stimulation has many advantages than thermal methods for shape-memory polymers (SMPs);the bulk polymers is essential for developing high performance electroactive systems and creating an efficient conductive path1-3 . Here, we show that a three-dimensional (3D) porous carbon nanotube sponge can serve as a built-in integral conductive network to provide internal, homogeneous, in situ Joule heating for shape-memory polymers, thus significantly improving the mechanical and thermal behavior of SMPs. As a result, the 3D nanocomposites show a fast response and produce large exerting forces during shape recovery. We further studied the construction of a double-layer composite structure for bidirectional actuation, in which the shape change is dominated by the temperature-dependent exerting force from the top and bottom layer. Our large stroke shape-memory nanocomposites have promising applications in many areas including artificial muscles and bionic robots4-5. © 2017 International Committee on Composite Materials. All rights reserved.

关键词： Bidirectional actuation Nanocomposites Shape-memory

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swTVM: Towards Optimized Tensor Code Generation for Deep Learning on Sunway Many-Core Processor

arXiv

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arXiv 2019年

作者： Li, Mingzhen Liu, Changxi Liao, Jianjin Zheng, Xuegui Yang, Hailong Sun, Rujun Xu, Jun Gan, Lin Yang, Guangwen Luan, Zhongzhi Qian, Depei School of Computer Science and Engineering Beihang University Beijing China State Key Laboratory of Software Development Environment Beijing China National University of Singapore Singapore Singapore State Key Laboratory of Mathematical Engineering and Advanced Computing Wuxi China Science and Technology on Special System Simulation Laboratory Beijing Simulation Center Beijing China Department of Computer Science and Technology Tsinghua University Beijing China

The flourish of deep learning frameworks and hardware platforms has been demanding an efficient compiler that can shield the diversity in both software and hardware in order to provide application portability. Among the existing deep learning compilers, TVM is well known for its efficiency in code generation and optimization across diverse hardware devices. In the meanwhile, the Sunway many-core processor renders itself as a competitive candidate for its attractive computational power in both scientific computing and deep learning workloads. This paper combines the trends in these two directions. Specifically, we propose swTVM that extends the original TVM to support ahead-of-time compilation for architecture requiring cross-compilation such as Sunway. In addition, we leverage the architecture features during the compilation such as core group for massive parallelism, DMA for high bandwidth memory transfer and local device memory for data locality, in order to generate efficient codes for deep learning workloads on Sunway. The experiment results show that the codes generated by swTVM achieves 1.79× on average compared to the state-of-the-art deep learning framework on Sunway, across six representative benchmarks. This work is the first attempt from the compiler perspective to bridge the gap of deep learning and Sunway processor particularly with productivity and efficiency in mind. We believe this work will encourage more people to embrace the power of deep learning and Sunway many-core processor. Copyright © 2019, The Authors. All rights reserved.

关键词： Program compilers

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