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Structural Analysis of the SARS-CoV-2 Omicron Variant Proteins

Research 2021年第2期2021卷 759-762页

作者： qiangzhen yang Ali Alamdar Shah Syed Aamir Fahira Yongyong Shi Bio-X Institutes Key Laboratory for the Genetics of Developmental and Neuropsychiatric Disorders(Ministry of Education)Shanghai Jiao Tong University1954 Huashan RoadShanghai 200030China Biomedical Sciences Institute of Qingdao University(Qingdao Branch of SJTU Bio-X Institutes) Qingdao UniversityQingdao 266003China Shanghai Key Laboratory of Psychotic Disorders Shanghai Mental Health CenterShanghai Jiao Tong University School of MedicineShanghai 200030China Shanghai Key Laboratory of Sleep Disordered Breathing Shanghai Jiao Tong University Affiliated Sixth People’s HospitalShanghaiChina The First Affiliated Hospital of Zhengzhou University Zhengzhou 450052China Department of Psychiatry First Teaching Hospital of Xinjiang Medical UniversityUrumqi830046China

The spread of the latest SARS-CoV-2 variant Omicron is particularly concerning because of the large number of mutations present in its genome and lack of knowledge about how these mutations would affect the current SARS-CoV-2 vaccines and ***,by performing phylogenetic analysis using the Omicron spike(S)protein sequence,we found that the Omicron S protein presented the longest evolutionary distance in relation to the other SARS-CoV-2 *** predicted the structures of S,M,and N proteins of the Omicron variant using AlphaFold2 and investigated how the mutations have affected the S protein and its parts,S1 NTD and RBD,in *** found many amino acids on RBD were mutated,which may influence the interactions between the RBD and ACE2,while also showing the S309 antibody could still be capable of neutralizing Omicron *** Omicron S1 NTD structures display significant differences from the original strain,which could lead to reduced recognition by antibodies resulting in potential immune escape and decreased effectiveness of the existing ***,this study of the Omicron variant was mainly limited to structural predictions,and these findings should be explored and verified by subsequent *** study provided basic data of the Omicron protein structures that lay the groundwork for future studies related to the SARS-CoV-2 Omicron variant.

关键词： concerning subsequent neutral

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Structural Comparison and Drug Screening of Spike Proteins of Ten SARS-CoV-2 Variants

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Research 2022年第2期2022卷 5-24页

作者： qiangzhen yang Xuemin Jian Ali Alamdar Shah Syed Aamir Fahira Chenxiang Zheng zijia Zhu Ke Wang Jinmai Zhang yangin Wen Zhiqiang Li Dun Pan Tingting Lu Zhuo Wang Yongyong Shi Bio-X Institutes Key Laboratory for the Genetics of Developmental and Neuropsychiatric Disorders(Ministryof Education)Shanghai jiao Tong University1954 Huashan RoadShanghai 200030China Biomedical Sciences Insttuteof Qingdao University(Qingdao Branch of SJTU Bio-X Institutes) Qingdao University Qingdao 266003China Shanghai Key Laboratory of Psychotic Disorders Shanghai Mental Health CenterShanghai Jiao Tong University School of MedicineShanghai 200030China Shanghai Key Laboratory of Sleep Disordered Breathing Shanghai liao Tong University Afliated Sixth People's Hospital.ShanghaiChina The First Afiliated Hospital of Zhengzhou Universily Zhengzhou 450052China Deparment of Psychiary First Teaching Hospital of Xinjiang Medical UniversitUrumqi 830046China

SARS-CoV-2(severe acute respiratory syndrome coronavirus 2)has evolved many variants with stronger infectivity and immune evasion than the original strain,including Alpha,Beta,Gamma,Delta,Epsilon,Kappa,lota,Lambda,and 21H *** acid mutations are enriched in the spike protein of SARS *** plays a crucial role in cell ***,the impact of these mutations on protein structure and function is *** the pathophysiology and pandemic feaures of these SARS-CoV-2 variants requires knowledge of the spike protein ***,we obtained the spike protein structures of 10 main globally endemic SARS CoV-2 strains using *** clustering analysis based on structural similarity revealed the unique features of the mainly pandemic SARS CoV-2 Delta *** that structural clusters can reflect the current characteristics of the epidemic more accurately than those based on the protein *** analysis of the binding afinities of ACE2-RBD,antibody-NTD,and antibody-RBD complexes in the different variants revealed that the recognition of antibodies against SI NTD and RBD was decreased in the variants,especally the Delta variant compared with the original strain,which may induce the immune evasion of SARS-CoV-2 ***,by virtual screening the ZINC database against a high-accuracy predicted structure of Delta spike protein and experimental validation,we identified multiple compounds that target S1 NTD and RBD,which might contribute towards the development of clinical anti-SARS-CoV-2 *** findings provided a basic foundation for future in vitro and in vivo investigations that might speed up the development of potential therapies for the SARS-CoV-2 va riants.

关键词： globally similarity finding

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Anomalous quality factor evolution of induced transparency in a virtualized coupled-oscillator system

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Science China(Physics,Mechanics & Astronomy) 2025年第1期68卷 144-151页

作者： Yunhan yang Han Jia Tuo Liu Yuzhen yang Jun yang Key Laboratory of Noise and Vibration Research Institute of AcousticsChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China State Key Laboratory of Acoustics Institute of AcousticsChinese Academy of SciencesBeijing 100190China

The phenomenon of induced transparency,characterized by a high quality(Q)factor,holds significant importance in the fields of high-precision sensing,energy storage and wave *** transparency systems are often constrained by the limited experimentally accessible parameter space and the lack of independent control over intrinsic parameters,thereby hindering advanced research on high-Q *** we propose a virtualized coupled-oscillator system that enables reconfigurable induced transparency in the reflection *** virtually incorporating a pair of coupled oscillators into an individual acoustic meta-atom,we achieve the manipulation of induced transparency in a decoupled,wide-ranging,and elaborate *** the diverse evolutions across the intrinsic parameter space,we show experimentally a counter-intuitive increase in the Q-factor of the transparency window,which is attributed to the enhanced dissipation of the bright ***,a constant group delay at the center frequency is observed accompanying this *** work demonstrates an intriguing platform as well as a novel strategy to engineer high-Q induced transparency phenomenon,and paves the way towards applications in programmable acoustic sensors,filters and slow-wave devices.

关键词： induced transparency acoustic meta-atom high quality-factor scattering programmable intrinsic parameter

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Rapid reduction of air pollution and short-term exposure risks in China

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Journal of Environmental Sciences 2025年第3期149卷 126-138页

作者： Hao Fan Chuanfeng Zhao Yikun yang Xingchuan yang State Key Joint Laboratory of Environmental Simulation and Pollution Control School of EnvironmentBeijing Normal UniversityBeijing 100875China Laboratory for Climate and Ocean-Atmospheric Studies Department of Atmospheric and Oceanic SciencesSchool of PhysicsPeking UniversityBeijing 100871China College of Resource Environment and Tourism Capital Normal UniversityBeijing 100048China

With the continuous control of anthropogenic emissions,China’s air quality has improved significantly in recent *** this background,research on how the short-term exposure risks caused by air pollution in China have changed is *** study utilized hourly concentration data from ground observation stations and the official air quality guidelines of the Ministry of Ecology and Environment of China and the World Health Organization as standards to systematically investigate the spatiotemporal characteristics and short-term exposure risks of air pollution in China from 2015 to *** results indicate that various atmospheric pollutants except for ozone showed a decreasing trend ***,both single pollutant air pollution days(SAPDs)and multiple pollutant air pollution days(MAPDs)showed varying degrees of reduction within 15 and 25 days,*** was dominated mainly by excessive PM_(2.5)and PM_(10)pollutants,while MAPD was dominated mainly by excessive pollutant combinations,including PM_(2.5)+PM_(10),CO+PM_(2.5)+PM_(10),and SO_(2)+PM_(2.5)+PM_(10).As the concentration of atmospheric pollutants decreased,the total excess risk(ER)decreased yearly from 2015 to 2022,but there were significant regional ***,the ER is less than 0.25%in southern China,in the range of 0.25%-0.5%in the North China Plain and some cities in the northeast,and higher than 1%in the *** matter is currently the primary pollutant posing short-term exposure risk in China,especially due to the impact of sandstorm *** study indicates that China’s atmospheric cleaning action is significantly beneficial for reducing health risks.

关键词： Air pollution Emission-reduction Total excess risk Particulate matter China

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Engineering strategies of biomaterial-assisted exosomes for skin wound repair:Latest advances and challenges

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Chinese Chemical Letters 2025年第1期36卷 99-109页

作者： yang Xu Le Ma yang Wang Chunmeng Shi Institute of Rocket Force Medicine State Key Laboratory of Trauma and Chemical PoisoningThird Military Medical University(Army Medical University)Chongqing 400038China

The treatment of skin wounds,especially chronic wounds,remains a critical clinical challenge and places a heavy burden on patients and healthcare *** recent years,the engineering strategy of using biomaterial-assisted exosomes has emerged as a powerful tool for skin *** to treatments such as debridement and regular dressing changes,the design of biomaterial-assisted exosomes not only maintains the bioactivity of exosomes at the wound site but also provides an appropriate microenvironment for the repair of complex tissues,thereby accelerating wound *** review systematically introduces the general characteristics of exosomes and their functions in skin wound healing,highlights recent advances in classification of natural exosomes and engineering methods which enriching their functions in intercellular ***,various emerging and innovative approaches based on biomaterials delivery of exosomes are comprehensively *** review seeks to bring an in-depth understanding of bioactive dressings based on exosomes therapeutic strategies,aiming to facilitate new clinical application value.

关键词： Exosomes Biomaterials Hydrogel Delivery system Wound healing

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Hyperosmolality tolerance of freshwater largemouth bass Micropterus salmoides to brackish in early ontogenetic stages of eggs,embryos,and yolk-sac larvae

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Journal of Oceanology and Limnology 2025年第1期43卷 286-298页

作者： Du LUO Dingtian yang South China Sea Institute of Oceanology Chinese Academy of SciencesGuangzhou 510301China Pearl River Fisheries Research Institute Chinese Academy of Fishery SciencesGuangzhou 510380China University of Chinese Academy of Sciences Beijing 100049China

Salinity is recognized as a pivotal factor limiting the migration of freshwater fish to brackish *** largemouth bass(LMB,Micropterus salmoides),a globally translocated freshwater fish,exhibits estuarine distribution,yet its hyperosmoregulatory capacity during early ontogenetic stages remains inadequately *** investigate the impact of freshwater salinization,a series of experiments were conducted in Guangzhou and Foshan,*** reveal that freshwater-activated mature eggs and naturally fertilized oocytes maintained nearly identical osmotic homeostasis,with diameters of 1.38±0.07 mm and 1.37±0.05 mm,***,both exhibited peak water excretion at a salinity of ***,a reduction in water permeability was observed in hyperosmotic *** hatching rates increased from 27.5%±14.4%in the 1.0 group to 75.1%±12.0%in the 6.0 group under fluctuating temperature ***-sac LMB larvae consistently reduced survival time from 12.5 d at 1.0 to 50.7±2.1 min at salinity of ***,more developed larvae also experienced a decrease in survival *** regression models fitting lethal time with salinity indicated a sharp decrease between 10.0 and *** findings offer practical insights for predicting distribution patterns and enhancing aquaculture technology for ***,they may contribute theoretically to the broader understanding of the osmoregulatory mechanisms of freshwater fish.

关键词： osmotic homeostasis acute toxicity median lethal time hatching rate dose-response model

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Multiphysics simulation and optimization of the in-situ beneficiation process of ilmenite minerals from lunar regolith

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Science China Earth Sciences 2025年第1期68卷 195-207页

作者： Peng ZHANG Xin LIU Guanghui LIU Wei DAI Hanzhe yang Haibo ZHENG Zhi WANG Ran NIU Yifan BAI yang ZHANG Chengbao LIU Ge yang Junwei yang Guang ZHANG Technology and Engineering Center for Space Utilization Chinese Academy of SciencesBeijing100094China Beijing Hegong Simulation Co. LtdBeijing100089China

The exploration and utilization of lunar resources have become the major objectives of future lunar exploration *** classified collection and processing of lunar minerals is the basic prerequisite for the in-situ exploration and utilization of lunar *** this study,we propose a scheme for in-situ separation of magnetic minerals from lunar soils using the dry magnetic separation *** scheme can realize the purpose of separating magnetic minerals from lunar regolith by altering the motion trajectory of lunar regolith particles with different magnetic *** modeling of the dry magnetic separation device is conducted,and the three-dimensional distribution of magnetic parameters is calculated and *** on the characterization and analysis of the Chang E-5's samples,the morphologies and physical parameters of lunar regolith particles are modeled and simulated.A discrete element simulation of the motion process of lunar regolith particles under multi-physical field conditions is performed,and the influences of key parameters on the beneficiation performance of lunar magnetic minerals are *** results indicate that optimal separation and beneficiation of lunar regolith particles can be achieved under specific conditions of magnetic field strength and drum ***,we analyze the effects of lunar weak gravity conditions and the charged nature of lunar particles on the beneficiation process,showing that these factors can obviously enhance the beneficiation process of lunar *** study demonstrates the feasibility of using the dry magnetic separation method for the beneficiation of magnetic minerals from lunar regolith,providing a theoretical basis for the scientific tasks of collecting,processing,and utilizing lunar mineral resources.

关键词： Lunar regolith In-situ resource utilization Magnetic separation Classified sampling

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Graph reinforcement learning with relational priors for predictive power allocation

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Science China(Information Sciences) 2025年第2期68卷 230-247页

作者： Jianyu ZHAO Chenyang yang School of Electronics and Information Engineering Beihang University

Deep reinforcement learning for resource allocation has been investigated extensively owing to its ability of handling model-free and end-to-end problems. However, its slow convergence and high time complexity during online training hinder its practical use in dynamic wireless systems. To reduce the training complexity, we resort to graph reinforcement learning for leveraging two kinds of relational priors inherent in many wireless communication problems: topology information and permutation properties. To harness the two priors, we first conceive a method to convert the state matrix into a state graph,and then propose a graph deep deterministic policy gradient(DDPG) algorithm with the desired permutation property. To demonstrate how to apply the proposed methods, we consider a representative problem of using reinforcement learning, predictive power allocation, which minimizes the energy consumption while ensuring the quality-of-service of each user requesting video streaming. We derive the time complexity required by training the proposed graph DDPG algorithm and fully-connected neural network-based DDPG algorithm in each time step. Simulations show that the graph DDPG algorithm converges much faster and needs much lower time and space complexity than existing DDPG algorithms to achieve the same learning performance.

关键词： reinforcement learning graph neural network relational priors resource allocation

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Selenate-based heterojunction with cobalt-nickel paired site for electrocatalytic oxidation of 5-hydroxymethylfurfural coupling water splitting to produce hydrogen

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Journal of Energy Chemistry 2025年第2期101卷 156-162页

作者： Zhengru yang Jia Hui Wangxi Fan Pengcheng Liu Chunyong Zhang Shuang Dong Zhou yang Department of Chemistry and Chemical Engineering & Jiangsu Key Laboratory of Clean Energy Storage and Conversion Jiangsu University of Technology Engineering Technology and Materials Research Center China Academy of Transportation Sciences School of Chemical Engineering and Materials Changzhou Institute of Technology

It is very appealing that 5-hydroxymethylfurfural（HMF） is electrocatalytical oxidized as 2,5-furandicarboxylic acid（FDCA） linking to non-classical cathodic hydrogen（H2） ***,the electrocatalysts for electrocatalytic HMF oxidative reaction（e-HMFOR） have been facing low Faradaic efficiency（FE） and high water splitting ***,we propose a strategy of the NiSeO3@（CoSeO3）4heterojunction by constructing a Co-Ni paired site,where the Co site is in charge of adsorbing for HMF while the electrons are transferred to the Ni site,thus giving the NiSeO3@（CoSeO3）4heterojunction superior electrocata lytic performances for e-HMFOR and water *** optimizing conditions,the NiSeO3@（CoSeO3）4heterojunction has high conversion of 99.7%,high selectivity of 99.9%,and high FE of 98.4% at 1.3 V,as well as low cell voltage of 1.31 V at 10 mA cm-2in 1 M KOH+0.1 M *** study offers a potential insight for e-HMFOR to high value-added FDCA coupling water splitting to produce H2in an economical manner.

关键词： Co-Ni paired site e-HMFOR FDCA Heterojunction Hydrogen evolution

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High-temperature-tolerant flexible supercapacitors: Gel polymer electrolytes and electrode materials

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Journal of Energy Chemistry 2025年第1期100卷 426-457页

作者： Chong Peng Xinyi Huang Mingwei Zhao Shuling Liao Quanhong yang Nianjun yang Siyu Yu School of Chemistry&Chemical Engineering Southwest UniversityChongqing 400715 China Nanoyang Group Tianjin Key Laboratory of Advanced Carbon and Electrochemical Energy StorageSchool of Chemical Engineering and Technologyand Collaborative Innovation Center of Chemical Science and Engineering(Tianjin)Tianjin UniversityTianjin 300072 China Department of Chemistry&IMO–IMOMEC Hasselt UniversityDiepenbeek 3590Belgium Received 26 July 2024Revised 19 Aug

The development of flexible supercapacitors(FSCs) capable of operating at high temperatures is crucial for expanding the application areas and operating conditions of supercapacitors. Gel polymer electrolytes and electrode materials stand as two key components that significantly impact the efficacy of hightemperature-tolerant FSCs(HT-FSCs). They should not only exhibit high electrochemical performance and excellent flexibility, but also withstand intense thermal stress. Considerable efforts have been devoted to enhancing their thermal stability while maintaining high electrochemical and mechanical performance. In this review, the fundamentals of HT-FSCs are outlined. A comprehensive overview of state-of-the-art progress and achievements in HT-FSCs, with a focus on thermally stable gel polymer electrolytes and electrode materials is provided. Finally, challenges and future perspectives regarding HT-FSCs are discussed, alongside strategies for elevating operational temperatures and *** review offers both theoretical foundations and practical guidelines for designing and manufacturing HT-FSCs, further promoting their widespread adoption across diverse fields.

关键词： Flexible supercapacitors High-temperature tolerance Gel polymer electrolytes Electrode materials

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