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Acta Pharmaceutica Sinica B 2024年第8期14卷 3624-3642页

作者： kai Tang Shu Wang Siqi feng Xinyu Yang yueyang Guo Xiangli Ren Linyue Bai Bin yu Hong-Min Liu Yihui Song School of Pharmaceutical Sciences&Key Laboratory of Advanced Drug Preparation Technologies Ministry of EducationZhengzhou UniversityZhengzhou 450001China College of Chemistry Pingyuan LaboratoryState Key Laboratory of Antiviral DrugsZhengzhou UniversityZhengzhou 450001China Tianjian Laboratory of Advanced Biomedical Sciences Institute of Advanced Biomedical SciencesZhengzhou UniversityZhengzhou 450000China State Key Laboratory of Pharmaceutical Biotechnology Nanjing UniversityNanjing 210023China

Src homology-2-containing protein tyrosine phosphatase 2(SHP2)is a promising therapeutic target for cancer *** this work,we presented the structure-guided design of 5,6-fused bicyclic allosteric SHP2 inhibitors,leading to the identification of pyrazolopyrazine-based TK-642 as a highly potent,selective,orally bioavailable allosteric SHP2 inhibitor(SHP2WT IC_(50)=2.7 nmol/L)with favorable pharmacokinetic profiles(F=42.5%;t_(1/2)=2.47 h).Both dual inhibition biochemical assay and docking analysis indicated that TK-642 likely bound to the“tunnel”allosteric site of ***-642 could effectively suppress cell proliferation(KYSE-520 cells IC_(50)=5.73μmol/L)and induce apoptosis in esophageal cancer cells by targeting the SHP2-mediated AKT and ERK signaling ***,oral administration of TK-642 also demonstrated effective anti-tumor effects in the KYSE-520 xenograft mouse model,with a T/C value of 83.69%.Collectively,TK-642 may warrant further investigation as a promising lead compound for the treatment of esophageal cancer.

关键词： Protein tyrosine phosphatase Pyrazolopyrazine SHP2 inhibitor Esophageal cancer

Impact of short-term ambient air pollution exposure on the risk of severe COVID-19

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Journal of Environmental Sciences 2024年第1期135卷 610-618页

作者： Baihuan feng Jiangshan Lian Fei yu Dan Zhang Weizhen Chen qiWang Yifei Shen Guoliang Xie Ruonan Wang yun Teng Bin Lou Shufa Zheng Yida Yang yu Chen Department of Laboratory Medicine The First Affiliated HospitalZhejiang University School of MedicineHangzhou 310000China Key Laboratory of Clinical In Vitro Diagnostic Techniques of Zhejiang Province Hangzhou 310000China Institute of Laboratory Medicine Zhejiang UniversityHangzhou 310000China Department of Infectious Diseases The First Affiliated HospitalZhejiang University School of MedicineHangzhou 310000China State Key Laboratory for Diagnosis and Treatment of Infectious Diseases National Clinical Research Center for Infectious DiseasesCollaborative Innovation Center for Diagnosis and Treatment of Infectious Diseasesthe First Affiliated HospitalZhejiang University School of MedicineHangzhou 310000China

Ecological studies suggested a link between air pollution and severe COVID-19 outcomes,while studies accounting for individual-level characteristics are *** the present study,we aimed to investigate the impact of short-term ambient air pollution exposure on disease severity among a cohort of 569 laboratory confirmed COVID-19 patients admitted to designated hospitals in Zhejiang province,China,from January 17 to March 3,2020,and elucidate the possible biological processes involved using *** with mild cases,severe cases had higher proportion of medical conditions as well as unfavorable results in most of the laboratory tests,and manifested higher air pollution exposure *** exposure to air pollutants was associated with increased risk of severe COVID-19 with odds ratio(OR)of 1.89(95%confidence interval(CI):1.01,3.53),2.35(95%CI:1.20,4.61),2.87(95%CI:1.68,4.91),and 2.01(95%CI:1.10,3.69)for PM_(2.5),PM_(10),NO_(2)and CO,*** for NO_(2)remained significant in two-pollutant models after adjusting for other *** analysis showed 884 differentially expressed genes which mainly were enriched in virus clearance related biological processes between patients with high and low NO_(2)exposure levels,indicating that compromised immune response might be a potential underlying mechanistic *** findings highlight the impact of shortterm air pollution exposure,particularly for NO_(2),on COVID-19 severity,and emphasize the significance in mitigating the COVID-19 burden of commitments to improve air quality.

关键词： Air pollution COVID-19 Severity Transcriptomics Immune response

Chromosome-level genome assembly of the Asian citrus psyllid,Diaphorina citri

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Insect Science 2024年第1期31卷 13-27页

作者： Shuang Lei Shi-Jiang yu qi Pan Li-Li Ding Si-Chen Li Lu-Yan Cheng Shu-qi Wang Bing-Hai Lou Jun He Cui-yun Lei Lin Cong Hao-qiang Liu Xue-feng Wang Chun Ran Citrus Research Institute Southwest University/Chinese Academy of Agricultural SciencesNational Engineering Research Center for CitrusChongqingChina

Diaphorina citri is a global citrus *** a vector insect,it can transmit the causative agents of citrus huanglongbing,causing irreversible losses to the citrus *** acquisition of genomic information can provide a molecular genetic basis for effective control of ***,the DNBSEQ™,Oxford Nanopore Technologies,and Hi-C technologies are applied to generate a high-quality chromosome-level genome of *** genome size of *** was 523.78 Mb with a scaffold N50 of 47.05 Mb distributed on 13 chromosomes.A total of 250.64 Mb(47.85%)repeat sequences and 24048 protein-coding genes were *** resequencing of female and male individuals indicated that the sex chromosome system of *** is *** analysis demonstrated that *** and Pachypsylla venusta,which separated from their most recent common ancestor about 336.62 million years ago,were the most closely ***,we identified genes potentially involved in detoxification metabolism,pathogen transmission,and honeydew secretion for further *** high-quality genome provides an important reference for developing effective management strategies of ***.

关键词： Asian citrus psyllid chromosome-level genome comparative genomics cytochrome P450 detoxification Huanglongbing

Elaborating strengthen mechanism of Pt-Ir solid solution superalloy at finite temperature

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Rare Metals 2024年第3期43卷 1243-1256页

作者： Wei yu Xiao-yu Chong yun-Xuan Zhou Meng-Di Gan Ying-Xue Liang Yan Wei Ai-Min Zhang Chang-Yi Hu Xing-yu Gao Li Chen Hai-feng Song Jing feng Faculty of Materials Science and Engineering Kunming University of Science and TechnologyKunming650093China yunnan Precious Metals Laboratory Co.LTD Kunming650106China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing100088China

Pt-Ir alloy is potential superalloys used above 1300℃because of their high strength and creep ***,the ductility of Pt-Ir alloy has rapidly deteriorated with the increase of Ir,resulting in poor *** work quantitatively evaluated the solid solution strengthening(SSS)and grain refinement strengthening(GRS)of Pt-Ir alloy using first-principles calculations combined with experimental ***,the stretching force constants in the second nearest neighbor region(SFC^(2nd))of pure Ir(193.7 eV·nm^(-2))are 3.40 times that of pure Pt(57.0 eV·nm^(-2)),i.e.,the interatomic interaction is greatly enhanced with the increase of Ir content,which leads to the decrease of ductility,and modulus misfit plays a dominant role in ***,the physical mechanisms responsible for the hardness(H_(V))of Pt-Ir alloy,using the power-law-scaled function of electron work function coupled SSS and GRS,are attributed to the electron redistribution caused by different Ir ***,a thorough assessment of the thermodynamic characteristics of Pt-Ir binary alloy was conducted,culminating in development of a mapping model that effectively relates enmposition,temperature and *** results revealed that the compressive strength incrcases with the Ir content,and the highest strength was observed in Pt_(0.25)Ir_(0.75).This study provides valuable insights into the Pt-Ir alloy system.

关键词： Elastic properties Phonon Solid solution strengthen Force constants CALPHAD

Concerted Steric and Electronic Strategy in Thermostable Salicylaldiminato Nickel Catalysts for Ethylene(Co)polymerization

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Chinese Journal of Polymer Science 2024年第8期42卷 1085-1092页

作者： Hong-yu Ji Hong-Liang Mu Chun-feng Tang yu-Xing Zhang yue Chi Zhong-Bao Jian Key Laboratory of Advanced Structural Materials Ministry of EducationSchool of Materials Science and EngineeringChangchun University of TechnologyChangchun 130012China State Key Laboratory of Polymer Physics and Chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China

Olefin polymerization is one of the most im portant chemical reactions in *** work presents a strategy that emphasizes the synergistic meta/poro-steric hindrance of N-aryl groups and electronic effects in newly synthesized neutral salicylaldiminato nickel *** nickel(Ⅱ)catalysts exhibit exceptional thermostability,ranging from 30℃to 130℃,demonstrating enhanced catalytic activities and broadly regulated polyethylene molecular weights(3-341 kg·mol^(-1))and controlled polymer branch density(2-102 brs/1000C).The preferred catalyst Ni3 with concerted steric and electronic effects enables the production of solid-state semi-crystalline polyethylene materials at temperatures below 90℃.Notably,Ni3 exhibits an impressive tolerance of 110℃and can withstand even the challenging polymerization temperature of 130℃,leading to the production of polyethylene wax and ***,functionalized polyethylene is produced.

关键词： Polyolefin Salicylaldiminato ligand Nickel catalyst Oil Wax

Entanglement quantification via weak measurements assisted by deep learning

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Photonics Research 2024年第4期12卷 712-719页

作者： MU YANG YA XIAO ZE-YAN HAO yu-WEI LIAO JIA-HE CAO kai SUN EN-HUI WANG ZHENG-HAO LIU yuTAKA SHIKANO JIN-SHI XU CHUAN-feng LI GUANG-CAN GUO CAS Key Laboratory of Quantum Information University of Science and Technology of ChinaHefei 230026China College of Physics and Optoelectronic Engineering Ocean University of ChinaQingdao 266100China CAS Center for Excellence in Quantum Information and Quantum Physics University of Science and Technology of ChinaHefei 230026China Hefei National Laboratory University of Science and Technology of ChinaHefei 230088China Electric Power Research Institute State Grid Anhui Electric Power Co.Ltd.Hefei 230601China Institute of Systems and Information Engineering University of TsukubaIbaraki 305-8573Japan Center for Artificial Intelligence Research University of TsukubaIbaraki 305-8577Japan Graduate School of Science and Technology Gunma UniversityGunma 371-8510Japan Institute for Quantum Studies Chapman UniversityOrangeCalifornia 92866USA JST PRESTO Saitama 332-0012Japan

Entanglement has been recognized as being crucial when implementing various quantum information ***, quantifying entanglement for an unknown quantum state requires nonphysical operations or post-processing measurement data. For example, evaluation methods via quantum state tomography require vast amounts of measurement data and likely estimation.

关键词： estimation quantum angle

The impacts of gradually terminating nonpharmaceutical interventions for SARS-CoV-2:A mathematical modelling analysis

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Fundamental Research 2024年第2期4卷 401-411页

作者： Bin Wu yuetian yu Xing Lin feng Medical Decision and Economic Group Department of PharmacyRen Ji HospitalSouth CampusSchool of MedicineShanghai Jiaotong UniversityShanghai 200000China Department of Critical Care Medicine Ren Ji HospitalSchool of MedicineShanghai Jiaotong UniversityShanghai 200001China Department of Health Policy and Management School of Public HealthPeking UniversityBeijing 100191China

With the expansion of vaccination programs,the policy of terminating nonpharmaceutical interventions for preventing the SARS-CoV-2 pandemic should become more *** current study investigated the clinical and economic outcomes of intervention policies combining nonpharmaceutical interventions and vaccination programs for dealing with the SARS-CoV-2 *** agent-based transmission model was adopted that describes how a SARS-CoV-2 virus spreads in the populations of *** model inputs were derived from the literature and expert *** following intervention policies were simulated:no intervention,strict nonpharmaceutical interventions,and nonpharmaceutical interventions for workplace,community,school and home gradually terminated by combining vaccination programs for specified age groups(vaccination age in years:20-60,20-70,20-80,≥20,≥10 and whole population).Cumulative infections and deaths in one calendar year,costs and quality-adjusted life years(QALYs)were *** the vaccination program was taken up in at least the≥20 years age group in all populations,nonpharmaceutical interventions for workplace and community settings could be gradually terminated because the cumulative number of infections was<100 per 100,000 *** ending nonpharmaceutical interventions in school and home settings could not meet the target even when the vaccination program had been taken up in all *** cumulative deaths were used as the endpoint,nonpharmaceutical interventions in workplace,community and school settings could be gradually *** efficacy and coverage have substantial *** nonpharmaceutical interventions in workplace settings could produce the lowest cost when vaccination programs are taken up at least in the≥10 years age group;this method dominates most intervention strategies due to its lower costs and higher *** to our findings,nonpharmaceutical interventions might be gradually terminated

关键词： SARS-CoV-2 Nonpharmaceutical interventions Vaccination program Cumulative infections and deaths Economic outcomes

Robust cooperative multi-agent reinforcement learning via multi-view message certification

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Science China(Information Sciences) 2024年第4期67卷 131-145页

作者： Lei yuAN Tao JIANG Lihe LI feng CHEN Zongzhang ZHANG Yang yu National Key Laboratory for Novel Software Technology Nanjing University Polixir Technologies

Many multi-agent scenarios require message sharing among agents to promote coordination,hastening the robustness of multi-agent communication when policies are deployed in a message perturbation environment. Major relevant studies tackle this issue under specific assumptions, like a limited number of message channels would sustain perturbations, limiting the efficiency in complex scenarios. In this paper,we take a further step in addressing this issue by learning a robust cooperative multi-agent reinforcement learning via multi-view message certification, dubbed CroMAC. Agents trained under CroMAC can obtain guaranteed lower bounds on state-action values to identify and choose the optimal action under a worst-case deviation when the received messages are perturbed. Concretely, we first model multi-agent communication as a multi-view problem, where every message stands for a view of the state. Then we extract a certificated joint message representation by a multi-view variational autoencoder(MVAE) that uses a product-of-experts inference network. For the optimization phase, we do perturbations in the latent space of the state for a certificate guarantee. Then the learned joint message representation is used to approximate the certificated state representation during training. Extensive experiments in several cooperative multi-agent benchmarks validate the effectiveness of the proposed CroMAC.

关键词： multi-agent reinforcement learning robust communication adversarial training multi-view learning message certification

Effect of Frequency on Degradation in BOPP Films Under Repetitively Pulsed Voltage

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CSEE Journal of Power and Energy Systems 2024年第3期10卷 1280-1290页

作者： Chuansheng Zhang yu feng Fei Kong Bangdou Huang Cheng Zhang Tao Shao Beijing International S&T Cooperation Base for Plasma Science and Energy Conversion Institute of Electrical EngineeringChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China

Operating conditions of film capacitors are complex,and the problem of film insulation failure caused by repetitively pulsed voltage is becoming ever *** of the film under repetitively pulsed voltage cannot be accurately evaluated by the average breakdown electric *** this paper,the effects of pulsed electric field and pulse repetition frequency on the breakdown in biaxially oriented polypropylene(BOPP)films are *** phases of BOPP degradation are proposed based on the voltage amplitude,i.e.,maintenance(M),decline(D),and near-zero(N).Evolution of the BOPP film from degradation to breakdown at different frequencies is ***,transition of discharge mode and elemental composition of the film are *** results show continuous heat generation under repetitive microsecond pulses is the dominant factor for degradation of BOPP *** number of applied pulses and the repetitive stressing time decrease exponentially with increase of *** research can be contributed to the safe and reliable operation of capacitors.

关键词： Aging breakdown film capacitor polypropylene repetitive pulse

Controlling of coordination state of Ru_(x)N_(y) clusters for efficient oxygen reduction electrocatalysis

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Nano Research 2024年第3期17卷 1035-1041页

作者： Weiyang Fu Yihuan yu Tongtong Liu Yinliang Cao Zhengping Zhang feng Wang State Key Laboratory of Chemical Resource Engineering Beijing Key Laboratory of Electrochemical Process and Technology for MaterialsBeijing University of Chemical TechnologyBeijing 100029China Beijing Advanced Innovation Center for Soft Matter Science and Engineering Beijing University of Chemical TechnologyBeijing 100029China Zhejiang Tianneng Hydrogen Energy Technology Co. Ltd.Huzhou 313100China

Ruthenium(Ru)is an attractive potential alternative to platinum as an electrocatalyst for the oxygen reduction reaction(ORR),in virtue of its high catalytic selectivity and relatively low *** this work,a series of well-dispersed nitrogen-coordinated Ru-clusters on carbon black(Ru_(x)N_(y)/C)were prepared by pyrolyzing different Ru-containing sandwich compounds as the Ru *** higher thermal stability of these complexed sandwich precursors(bis(1,2,3,4,5-pentamethylcyclopentadienyl)Ru(II)monomer,dichloro(p-cymene)Ru(II)dimer,and chloro(1,2,3,4,5-pentamethylcyclopentadienyl)Ru(II)tetramer)affords the control of coordinated state for the resulting Ru-clusters,in comparison of that derived from ruthenium *** the pyrolysis treatment,the Ru coordinated state in Ru_(x)N_(y)/C,with the Ru–N and Ru–Ru bonds,still showed the structural inheritance from the Ru(II)monomer,dimer,and tetramer,but using ruthenium chlorides as the Ru source resulted in the nanoscale Ru *** ORR testing exhibited that the Ru_(x)N_(y)/C sample derived from the Ru(II)tetramer(Ru_(x)N_(y)/C-T)presents the higher catalytic activity than the other obtained samples in either alkaline or acidic *** in the acidic electrolyte,Ru_(x)N_(y)/C-T shows the comparable ORR activity to that of Pt/C catalysts,and it shows the superior tolerance against methanol and *** X-ray absorption spectroscopy and density functional theory calculations demonstrate that these tetra-nuclear Ru-clusters could be the most active site due to their broadened d-orbital bands and lower energy d-band center than those of other subnano species and nanocrystals,and their favorable Yeager-type adsorption of O_(2)-molecules is also contributed to promoting O–O bond cleavage and accelerating the ORR process.

关键词： ruthenium clusters coordination environment sandwich compounds electrocatalysis oxygen reduction reaction