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Evolution of chemistry and selection technology for DNA-encoded library

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Acta Pharmaceutica Sinica B 2024年第2期14卷 492-516页

作者： Peixiang Ma Shuning Zhang Qianping Huang Yuang gu Zhi Zhou wei hou wei Yi Hongtao Xu Shanghai Key Laboratory of Orthopedic Implants Department of OrthopedicsShanghai Ninth People’s HospitalShanghai Jiao Tong UniversitySchool of MedicineShanghai 200025China Shanghai Institute for Advanced Immunochemical Studies ShanghaiTech UniversityShanghai 201210China guangzhou Municipal and guangdong Provincial Key Laboratory of Molecular Target&Clinical Pharmacology The NMPA and State Key Laboratory of Respiratory DiseaseGuangzhou Medical UniversityGuangzhou 511436China College of Pharmaceutical Science and Institute of Drug Development&Chemical Biology Zhejiang University of TechnologyHangzhou 310014China

DNA-encoded chemical library(DEL)links the power of amplifiable genetics and the nonself-replicating chemical phenotypes,generating a diverse chemical *** analogy with the biological world,the DEL world can evolve by using a chemical central dogma,wherein DNA replicates using the PCR reactions to amplify the genetic codes,DNA sequencing transcripts the genetic information,and DNA-compatible synthesis translates into chemical ***,DNA-compatible synthesis is the key to expanding the DEL chemical ***,the evolution-driven selection system pushes the chemicals to evolve under the selective pressure,i.e.,desired selection *** this perspective,we summarized recent advances in expanding DEL synthetic toolbox and panning strategies,which will shed light on the drug discovery harnessing in vitro evolution of chemicals via DEL.

关键词： DNA-encoded library Drug discovery High-throughput selection DNA-compatible synthesis In vitro evolution Chemical central dogma

Hybrid Gaussian Network Intrusion Detection Method Based on CGAN and E-GraphSAGE

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Instrumentation 2024年第2期11卷 24-35页

作者： Xinyi Liang Hongyan Xing wei gu.tianhao hou Zhiwei Ni Xinyi Wang School of Electronics Information Engineering Nanjing University of Information Science&TechnologyNanjing 210044

The rapid development of the Internet of Things(IoT)and modern information technology has led to the emergence of new types of *** poses a great potential danger to network ***,protecting against network attacks has become a pressing issue that requires urgent *** is crucial to find practical solutions to combat such malicious behavior.A network intrusion detection(NID)method,known as GMCE-GraphSAGE,was proposed to meet the detection demands of the current intricate network *** data is mapped into gaussian distribution,which helps to ensure that subsequent models can effectively learn the features of traffic *** conditional generative adversarial network(CGAN)can generate attack samples based on specified labels to create balanced traffic *** addition,we constructed a communication interaction graph based on the connection patterns of traffic *** E-GraphSAGE is designed to capture both the topology and edge features of the traffic *** it,global behavioral information is combined with traffic features,providing a solid foundation for classifying and *** on the UNSW-NB15 dataset demonstrate the great detection advantage of the proposed *** binary and multi-classification F1-score can achieve 99.36%and 89.29%,*** GMCE-GraphSAGE effectively improves the detection rate of minority class samples in the NID task.

关键词： network intrusion detection IoT deep learning

Carbon-based supports for the electrocatalysis under industrially relevant conditions

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Science China Chemistry 2024年第4期67卷 1051-1055页

作者： Xue Yang Xianrui gu Yang Song guolin hou Cheng Wang Lichen Liu wei Lin Center for Renewable Energy SINOPEC Research Institute of Petroleum ProcessingBeijing 100083China Engineering Research Center of Advanced Rare Earth Materials Department of ChemistryTsinghua UniversityBeijing 100084China

1 *** materials are ideal catalyst supports for functional metal components due to their appropriate physicochemical characteristics,such as high surface areas,tunable pore structures,variable morphologies and versatile surface properties based on chemical modifications,low cost and facile preparations from diverse precursors[1,2].

关键词： versatile facile supports

Theoretical study on the stability of nanobubbles and its verification in molecular dynamics simulation

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Particuology 2024年第4期87卷 99-105页

作者： Sheng Mi Chaofeng hou wei Ge School of Chemical Engineering and Technology Tianjin UniversityTianjin300072China State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing.100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing100049China

The stability of vapor nanobubbles in bulk liquid was investigated theoretically and the critical bubble size was derived from macroscale thermodynamic equations,below which the system destabilizes with sharp drop in *** critical size was quantitatively verified in molecular dynamic simulation using the Lennard-Jones model of argon,where stronger attraction between the molecules at lower density is found to contribute most to the drop of system pressure and,as the Laplace pressure on the curved bubble interface fails to balance the pressure difference across the interface,the bubbles become *** theoretical model could be extended to other systems where reliable equations of state and interfacial tension are available.

关键词： Nanobubble Stability Phase diagram Critical size

First Digit Distributions of Gamma-Ray Bursts

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Research in Astronomy and Astrophysics 2024年第5期24卷 70-75页

作者： hou-Yu Lai Jun-Jie wei Purple Mountain Observatory Chinese Academy of SciencesNanjing 210023China School of Astronomy and Space Sciences University of Science and Technology of ChinaHefei 230026China

The occurrence of the first significant digits from real world sources is usually not equally distributed,but is consistent with a logarithmic distribution instead,known as Benford’s *** this work,we perform a comprehensive investigation on the first digit distributions of the duration,fluence,and energy flux of gamma-ray bursts (GRBs) for the first *** a complete GRB sample detected by the Fermi satellite,we find that the first digits of the duration and fluence adhere to Benford’s ***,the energy flux shows a significant departure from this law,which may be due to the fact that a considerable part of the energy flux measurements is restricted by lack of spectral *** on the conventional duration classification scheme,we also check if the durations and fluences of long and short GRBs (with duration T_(90)>2 s and T_(90)≤2 s,respectively) obey Benford’s *** find that the fluences of both long and short GRBs still agree with the Benford distribution,but their durations do not follow Benford’s *** results hint that the long–short GRB classification scheme does not directly represent the intrinsic physical classification scheme.

关键词： (stars:)gamma-ray burst general-methods statistical-astronomical databases miscellaneous

The abundance,distribution,and enrichment mechanism of harmful trace elements in coals from guizhou,Southwestern China

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Acta Geochimica 2024年第5期43卷 889-903页

作者： Hui hou wei Cheng Ruidong Yang Yan Zhang College of Mining Guizhou UniversityGuiyangChina National and Local Joint Laboratory of Engineering for Effective Utilization of RegionalMineral Resources from Karst Areas GuiyangChina guizhou Key Laboratory of Comprehensive Utilization of Non-Metallic Mineral Resources GuiyangChina College of Resource and Environment Engineering Guizhou UniversityGuiyangChina

Coal seams can enrich a variety of harmful trace elements under specific geological *** spatial distribution of harmful trace elements in coal is extremely uneven,and the distribution characteristics of each element content are *** harmful elements released in the process of coal mining and utilization will cause serious harm to the environment and the human *** is of great resource significance to study the geochemistry of coal that affects the enrichment and distribution characteristics of harmful trace *** on the domestic and foreign literature on coal geochemistry in guizhou published by previous investigators,this study counted 1097 sample data from 23 major coal-producing counties in guizhou Province,systematically summarized the relevant research results of harmful trace elements in the coal of guizhou,and revealed the overall distribution and enrichment characteristics of harmful trace elements in the coal of *** results show that the average contents of Cd,Pb,Se,Cu,Mo,U,V,As,Hg,and Cr in coal of guizhou are higher than those in Chinese coal and world coal.A variety of harmful trace elements in the coal of guizhou have high background values,especially in Liupanshui,Xingyi and Qianbei *** enrichment of various harmful trace elements in the Late Permian coal in guizhou is mainly related to the combined action of various geological and geochemical *** supply of terrigenous debris and sedimentary environment may be the basic background of the enrichment of harmful elements in western guizhou,while low-temperature hydrothermal activity and volcanic ash deposition may be the main reasons for the enrichment of harmful elements in southwestern guizhou.

关键词： Harmful trace elements Distribution characteristics Enrichment law Geological and geochemical features guizhou

Review on the recent progress of nearly zero energy building frontiers in China

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Science China(Technological Sciences) 2024年第9期67卷 2620-2636页

作者： LYU YanJie XU wei ZHANG ShiCong SUN DeYu hou YueBin China Academy of Building Research Beijing 100013China

Energy efficiency improvement in Chinese construction has progressed rapidly over the past two *** zero energy buildings(NZEBs),as an integrated solution for energy-efficient construction,have gained significant attention during China's 13th Five-Year Plan period,with continuous maturation of the technical *** this study,a research framework built upon the accomplishments of China's National Key Research and Development Program is developed,and an in-depth analysis of the most cutting-edge research is provided by thoroughly reviewing the work conducted *** NZEB in China has been categorized into three stages based on the characteristics of technological development:(1)definition and standards,(2)demonstration and promotion,and(3)cross-domain *** study discerns four noteworthy development trends by examining comprehensive data spanning the last decade from 100 NZEB and zero energy ***,a comprehensive analysis of essential technology advancements in line with these identified trends is *** issues and challenges arising from the increased application of renewable energy in the context of China's carbon peak and carbon neutrality goals have also been ***,based on this analysis,the challenges and corresponding suggestions for future research directions were proposed to help guide future studies exploring emerging trends in the NZEB field.

关键词： nearly zero energy building energy efficiency load flexibility heat pump renewable energy

Intelligent diagnosis of atrial septal defect in children using echocardiography with deep learning

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虚拟现实与智能硬件（中英文） 2024年第3期6卷 217-225页

作者： Yiman LIU Size hou Xiaoxiang HAN Tongtong LIANG Menghan HU Xin WANG wei gu Yuqi ZHANG Qingli LI Jiangang CHEN Shanghai Key Laboratory of Multidimensional Information Processing School of Communication&Electronic EngineeringEast China Normal UniversityShanghaiChina Department of Pediatric Cardiology Shanghai Children's Medical CenterSchool of MedicineShanghai Jiao Tong UniversityShanghaiChina Department of Applied Mathematics Xi'an Jiaotong-Liverpool UniversitySchool of ScienceSuzhouChina School of Health Sciences and Engineering University of Shanghai for Science and TechnologyShanghaiChina Minhang District Centers for Disease Control and Prevention ShanghaiChina Faculty of Traditional Chinese Medicine Naval Medical UniversityShanghaiChina Engineering Research Center of Traditional Chinese Medicine Intelligent Rehabilitation Ministry of EducationShanghai 201203China

Background Atrial septal defect(ASD)is one of the most common congenital heart *** diagnosis of ASD via transthoracic echocardiography is subjective and *** The objective of this study was to evaluate the feasibility and accuracy of automatic detection of ASD in children based on color Doppler echocardiographic static images using end-to-end convolutional neural *** proposed depthwise separable convolution model identifies ASDs with static color Doppler images in a standard *** the standard views,we selected two echocardiographic views,i.e.,the subcostal sagittal view of the atrium septum and the low parasternal four-chamber *** developed ASD detection system was validated using a training set consisting of 396 echocardiographic images corresponding to 198 ***,an independent test dataset of 112 images corresponding to 56 cases was used,including 101 cases with ASDs and 153 cases with normal *** The average area under the receiver operating characteristic curve,recall,precision,specificity,F1-score,and accuracy of the proposed ASD detection model were 91.99,80.00,82.22,87.50,79.57,and 83.04,*** The proposed model can accurately and automatically identify ASD,providing a strong foundation for the intelligent diagnosis of congenital heart diseases.

关键词： Deep learning Atrial septal defect Echocardiography

Temperature is a cryptic factor shaping the geographical pattern of genetic variation in Ceratophyllum demersum across a subtropical freshwater lake

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Plant Diversity 2024年第5期46卷 630-639页

作者： Yixian Li Xuyao Zhao Manli Xia Xinzeng wei Hongwei hou The State Key Laboratory of Freshwater Ecology and Biotechnology The Key Laboratory of Aquatic Biodiversity and Conservation of Chinese Academy of SciencesInstitute of HydrobiologyChinese Academy of SciencesWuhan 430072HubeiChina University of Chinese Academy of Sciences Beijing 100049China Key Laboratory of Aquatic Botany and Watershed Ecology Wuhan Botanical GardenChinese Academy of SciencesWuhan 430074HubeiChina

Macrophyte habitats exhibit remarkable heterogeneity,encompassing the spatial variation of abiotic and biotic components such as changes in water conditions and weather as well as anthropogenic *** factors are thought to be important drivers shaping the genetic and epigenetic variation of aquatic ***,the links among genetic diversity,epigenetic variation,and environmental variables remain largely unclear,especially for clonal aquatic ***,we performed population genetic and epigenetic analyses in conjunction with habitat discrimination to elucidate the environmental factors driving intraspecies genetic and epigenetic variation in hornwort(Ceratophyllum demersum)in a subtropical *** factors were highly correlated with the genetic and epigenetic variation of ***,with temperature being a key driver of the genetic *** temperature was detected to be correlated with greater genetic and epigenetic *** and epigenetic variation were positively driven by water temperature,but were negatively affected by ambient air *** findings indicate that the genetic and epigenetic variation of this clonal aquatic herb is not related to the geographic feature but is instead driven by environmental conditions,and demonstrate the effects of temperature on local genetic and epigenetic variation in aquatic systems.

关键词： Genetic diversity Epigenetic variation Temperature Macrophyte Restoration