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Identification of novel small-molecule inhibitors of SARS-CoV-2 by chemical genetics

Acta Pharmaceutica Sinica B 2024年第9期14卷 4028-4044页

作者： Chris Chun-Yiu Chan Qian Guo Jasper Fuk-Woo Chan Kaiming Tang Jian-Piao Cai Kenn Ka-Heng Chik Yixin Huang Mei Dai Bo Qin Chon Phin Ong Allen Wing-Ho Chu Wan-Mui Chan Jonathan Daniel Ip Lei Wen Jessica Oi-Ling Tsang tong-yun wang Yubin Xie Zhenzhi Qin Jianli Cao Zi-Wei Ye Hin Chu Kelvin Kai-wang To Xing-Yi Ge Tao Ni Dong-Yan Jin Sheng Cui Kwok-yung Yuen Shuofeng Yuan State Key Laboratory of Emerging Infectious Diseases Carol Yu Centre for InfectionDepartment of MicrobiologySchool of Clinical MedicineLi Ka Shing Faculty of Medicinethe University of Hong KongPokfulamHong Kong SAR 999077China Department of Infectious Diseases and Microbiology the University of Hong Kong-Shenzhen HospitalShenzhen 518000China Centre for Virology Vaccinology and TherapeuticsHong Kong Science and Technology ParkHong Kong SAR 999077China Academician Workstation of Hainan Province Hainan Medical University-the University of Hong Kong Joint Laboratory of Tropical Infectious DiseasesHaikou 571100China School of Biomedical Sciences Li Ka Shing Faculty of Medicinethe University of Hong KongPokfulamHong Kong SAR 999077China NHC Key Laboratory of Systems Biology of Pathogens Institute of Pathogen Biology Chinese Academy of Medical Sciences&Peking Union Medical CollegeBeijing 100730China College of Biology Hunan Provincial Key Laboratory of Medical VirologyHunan UniversityChangsha 410082China

There are only eight approved small molecule antiviral drugs for treating *** them,four are nucleotide analogues(remdesivir,JT001,molnupiravir,and azvudine),while the other four are protease inhibitors(nirmatrelvir,ensitrelvir,leritrelvir,and simnotrelvir-ritonavir).Antiviral resistance,unfavourable drug‒drug interaction,and toxicity have been reported in previous *** there is a dearth of new treatment options for *** this work,a three-tier cell-based screening was employed to identify novel compounds with anti-SARS-CoV-2 *** compound,designated 172,demonstrated broad-spectrum antiviral activity against multiple human pathogenic coronaviruses and different SARS-CoV-2 variants of *** studies validated by reverse genetics showed that compound 172 inhibits the 3-chymotrypsin-like protease(3CLpro)by binding to an allosteric site and reduces 3CLpro dimerization.A drug synergistic checkerboard assay demonstrated that compound 172 can achieve drug synergy with nirmatrelvir in *** vivo studies confirmed the antiviral activity of compound 172 in both Golden Syrian Hamsters and K18 humanized ACE2 ***,this study identified an alternative druggable site on the SARS-CoV-23CLpro,proposed a potential combination therapy with nirmatrelvir to reduce the risk of antiviral resistance and shed light on the development of allosteric protease inhibitors for treating a range of coronavirus diseases.

关键词： SARS-CoV-2 High throughput screening Broad-spectrum antiviral treatment 3CLpro inhibitor Allosteric-site inhibitor Animal models Chemical genetics Reverse genetics

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Framework for Preventive Control of Power Systems to Defend Against Extreme Events

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CSEE Journal of Power and Energy Systems 2024年第2期10卷 856-870页

作者： Yuwei Xiang tong wang Zengping wang State Key Laboratory of Alternate Electrical Power System with Renewable Energy Sources North China Electric Power UniversityBeijing 102206China

Enhancing power system resilience against extreme events is becoming increasingly critical. This paper discusses a unified framework for preventive control of power systems to enhance system resilience, which includes three parts: resilience assessment, resilience grading, and resilience enhancement. First, the resilience assessment contains facility-level and system-level resilience assessment. The concept of fragility curve is used in the facility-level resilience assessment. Various resilience indices are developed in system-level resilience assessment to roundly depict the impacts of extreme events on power systems and determine the system resilience. On this basis, the resilience is divided into different levels by resilience grading strategy, which can efficiently quantify the severity of the impact of extreme events and provide decision-making for the resilience enhancement strategies. Then, control strategies for enhancing power system resilience are also divided according to different resilience levels. A controlled islanding based preventive control is proposed to enhance system resilience, which aims to strengthen the first defensive line of power systems to deal with extreme events. Finally, taking the typhoon disaster in extreme events as an example, two tests carried out with two typhoons demonstrate the efficiency of the proposed method.

关键词： Controlled islanding extreme events power system resilience preventive control

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Inhalation of taraxasterol loaded mixed micelles for the treatment of idiopathic pulmonary fibrosis

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Chinese Chemical Letters 2024年第8期35卷 475-480页

作者： tong Zhang Chao Sun Shubin Yang Zimin Cai Sifeng Zhu Wendian Liu yun Luan Cheng wang Key Laboratory of Marine Drugs Chinese Ministry of EducationSchool of Medicine and PharmacyOcean University of ChinaQingdao 266003China Central Research Laboratory Department of General Surgerythe Second Hospital of Shandong UniversityJi’nan 250033China Laboratory for Marine Drugs and Bioproducts Pilot National Laboratory for Marine Science and TechnologyQingdao 266237China Orthopedics Dept.1 Rushan people’s hospitalRushan 264500China Department of Cardiology the Second Hospital of Shandong UniversityJi’nan 250033China

Idiopathic pulmonary fibrosis(IPF)is a chronic and fatal lung disease characterized by pulmonary inflam-mation,oxidative stress,and excessive extracellular matrix(ECM)*** anti-fibrotic drugs for IPF treatment in the clinic lack selectivity and demonstrate unsatisfactory efficacy,highlighting the urgent necessity for a novel therapeutic ***(TA),which has biological activities against lung injury induced by various factors,is a potential anti-IPF drug due to its anti-inflammatory,antiox-idant and lung-protective ***,the protective effect of TA on IPF has not been confirmed,and its clinical application is limited due to its poor aqueous *** this study,we demonstrated that TA could inhibit epithelial-mesenchymal transition(EMT)and migration of A549 cells by inhibiting the transforming growth factor-β1(TGF-β1)/Smad signaling *** improve the aqueous solubility and pulmonary administration performance of TA,we prepared TA loaded methoxy poly(ethylene glycol)-poly(d,l-lactide)(mPEG-PLA)/d-α-tocopheryl polyethylene glycol succinate(TPGS)mixed polymeric mi-celles(TA-PM).Then a MicroSprayer^(R) Aerosolizer was used to deliver TA-PM once every two days for three weeks to evaluate their therapeutic effects on bleomycin(BLM)-induced IPF *** results demonstrated that inhaled TA-PM significantly inhibited BLM-induced inflammation,oxidative stress and fibrosis in lung ***,TA-PM exhibited high pulmonary deposition and retention by pul-monary administration,along with a favorable safety ***,this study emphasizes the potential of inhaled TA-PM as a promising treatment for IPF,providing a new opportunity for their clinical appli-cation.

关键词： Taraxasterol Idiopathic pulmonary fibrosis Mixed polymeric micelles Pulmonary administration Bleomycin

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Rebuilding the theory of isotope fractionation for evaporation of silicate melts under vacuum condition

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Acta Geochimica 2024年第4期43卷 661-676页

作者： Jie wang yun Liu Research Center for Planetary Science College of Earth and Planetary SciencesChengdu University of TechnologyChengdu 610059China State Key Laboratory of Ore Deposit Geochemistry Institute of GeochemistryChinese Academy of SciencesGuiyang 550081China CAS Center for Excellence in Comparative Planetology Hefei 230026China

Isotope eff ects are pivotal in understanding silicate melt evaporation and planetary accretion *** on the Hertz-Knudsen equation,the current theory often fails to predict observed isotope fractionations of laboratory experiments due to its oversimplified ***,we point out that the Hertz-Knudsen-equation-based theory is incomplete for silicate melt evaporation cases and can only be used for situations where the vaporized species is identical to the one in the *** propose a new model designed for silicate melt evaporation under *** model considers multiple steps including mass transfer,chemical reaction,and *** derivations reveal a kinetic isotopic fractionation factor(KIFF orα)αour model=[m(^(1)species)/m(^(2)species)]^(0.5),where m(species)is the mass of the reactant of reaction/nucleation-limiting step or species of diffusion-limiting step and superscript 1 and 2 represent light and heavy isotopes,*** model can eff ectively reproduce most reported KIFFs of laboratory experiments for various elements,i.e.,Mg,Si,K,Rb,Fe,Ca,and ***,the KIFF-mixing model referring that an overall rate of evaporation can be determined by two steps jointly can account for the eff ects of low P_(H2)pressure,composition,and *** addition,we find that chemical reactions,diffusion,and nucleation can control the overall rate of evaporation of silicate melts by using the fitting slope in ln(−ln f)versus ln(t).Notably,our model allows for the theoretical calculations of parameters like activation energy(E_(a)),providing a novel approach to studying compositional and environmental eff ects on evaporation processes,and shedding light on the formation and evolution of the proto-solar and Earth-Moon systems.

关键词： Evaporation Kinetic isotopic fractionation Chemical kinetics Hertz-Knudsen equation CAIS

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Chinese Medicine Combined with Adjuvant Chemotherapy for Improving Myelosuppression in Colorectal Cancer Patients:A Systematic Review and Network Meta-Analysis

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Chinese Journal of Integrative Medicine 2024年第7期30卷 643-652页

作者： LI Rui ZHANG tong YAN Shao-hua YAN yun-zi DING Ya-cong wang Yan-song YANG Yu-fei Department of Oncology China Academy of Chinese Medical SciencesXiyuan HospitalBeijing100091China Department of Oncology Dongfang Hospital Beijing University of Chinese MedicineBeijing100078China Graduate School Beijing University of Chinese MedicineBeijing100029China

Objective To assess the effectiveness of Chinese herbal medicine(CHM)combined with adjuvant chemotherapy on myelosuppression for colorectal cancer(CRC)patients using network meta-analysis(NMA).Methods Literature searches in both international(PubMed,Embase,Web of Science,and Cochrane Library)and Chinese(China Science and Technology Journal Database,Wanfang Data,China National Knowledge Infrastructure)databases for relevant randomized controlled trials(RCTs)were conducted from inception until October 10,*** included RCTs of patients who received CHM combined with chemotherapy,including FOLFOX,XELOX,FOLFIRI,and other relevant regimens in the CHM treatment *** outcomes included the incidence of myelosuppression,leukopenia,hemoglobin reduction,and *** reviewers independently screened the databases,extracted the data,and assessed the risk of bias and credibility of *** 5.4.1 software and STATA 14.0 were used to perform the *** A total of 31 RCTs were included,published from 2008 to 2021 in *** these,2,314 participants comparing the following 9 CHMs were identified:Shengbai Recipe(SBR),Bazhen Decoction(BZD),Jianpi Jiedu Recipe(JJR),Jianpi Recipe(JR),Compound Cantharis Capsule(CCC),Zaofan Pill(ZFP),Guilu Erxian Gel(GL),Buzhong Tiaogan Decoction(BZ),and Qiamagu Capsule(QM).The results of NMA found an indirect *** on the surface under the cumulative ranking curve(SUCRA),the ZFP+chemotherapy group had the lowest incidence of myelosuppression,with an odds ratio(OR)of 0.08[95%confidence interval(CI):0.01,0.76],whereas the GL+chemotherapy group had the lowest incidence of leukopenia,hemoglobin reduction,and thrombocytopenia,with an OR of 5.25(95%CI:2.41,11.43),4.66(95%CI:2.23,9.72),and 0.27(95%CI:0.13,0.54),***,BZD+chemotherapy could alleviate leukopenia,hemoglobin reduction,and thrombocytopenia(P<0.01).Pairwise comparison showed that there was no difference in the efficacy among the 8 CHMs+c

关键词： Chinese herbal medicine colorectal cancer network meta-analysis systematic review myelosuppression chemotherapy

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Optimal retrofitting scenarios of multi-objective energy-efficient historic building under different national goals integrating energy simulation,reduced order modelling and NSGA-II algorithm

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Building Simulation 2024年第6期17卷 933-954页

作者： Hailu Wei Yuanhao Jiao Zhe wang Wei wang tong Zhang School of Architecture Southeast UniversityNanjingJiangsu Province210096China Key Laboratory of Urban and Architectural Heritage Conservation(Southeast University) Ministry of EducationNanjingChina Department of Civil and Environmental Engineering The Hong Kong University of Science and TechnologyHong KongChina HKUST Shenzhen-Hong Kong Collaborative Innovation Research Institute FutianShenzhenChina

Retrofitting a historic building under different national goals involves multiple objectives,constraints,and numerous potential measures and packages,therefore it is time-consuming and challenging during the early design *** study introduces a systematic retrofitting approach that incorporates standard measures for the building envelope(walls,windows,roof),as well as the heating,cooling,and lighting *** retrofit objectives are delineated based on prevailing Chinese *** retrofit measures function as genes to optimize energy-savings,carbon emissions,and net present value(NPV)by employing a log-additive decomposition approach through energy simulation techniques and NSGA-II,yielding 185,163,and 8 ***,a weighted sum method is proposed to derive optimal solutions across multiple *** framework is applied to a courtyard building in Nanjing,China,and the outcomes of the implementation are scrutinized to ascertain the optimal retrofit package under various *** this retrofit,energy consumption can be diminished by up to 63.62%,resulting in an NPV growth of 151.84%,and maximum rate of 60.48%carbon *** three result values not only indicate that the optimal values are achieved in these three aspects of energy saving,carbon reduction and economy,but also show the possibility of possible equilibrium in this multi-objective optimization *** framework proposed in this study effectively addresses the multi-objective optimization challenge in building renovation by employing a reliable optimization algorithm with a computationally efficient reduced-order *** provides valuable insights and recommendations for optimizing energy retrofit strategies and meeting various performance objectives.

关键词： historic building energy-efficient retrofitting building energy simulation log-additive decomposition approach NSGA-II

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Treatment of multisystem inflammatory syndrome in children

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World Journal of Pediatrics 2024年第4期20卷 325-339页

作者： tong tong Yi-Hua Jin Min wang Fang-Qi Gong Department of Cardiology Children's HospitalZhejiang University School of MedicineNational Clinical Research Center for Child HealthNo.3333 Binsheng RoadHangzhou 310052China

Background Multisystem inflammatory syndrome in children(MIS-C),a relatively uncommon but severe pediatric complication,is associated with coronavirus disease 2019(COVID-19).A variety of treatment approaches,including intravenous immunoglobulins(IVIGs),glucocorticoids(GCs)and biologic agents,such as anakinra and infliximab,have been described for the management of COVID-19-related *** therapy is also ***,a well-developed treatment system has not been established,and many issues remain *** recently published articles related to the treatment of MIS-C have been ***,in this review,we identified relevant articles published recently and summarized the treatment of MIS-C more comprehensively and *** sources We reviewed the literature on the treatment of MIS-C through 20 September *** PubMed/Medline,Web of Science,EMBASE,and Cochrane Library databases were searched with the combination of the terms"multisystem inflammatory syndrome","MIS-C","PIMS-TS","therapy","treatment","drug","IVIG","GCs","intravenous immunoglobulin","corticosteroids","biological agent",and"aspirin".Results The severity of MIS-C varies,and different treatment schemes should be used according to the specific *** research and data collection are vital to better understand the pathophysiology and optimal management of *** MIS-Cis a disease involving multiple systems and has great *** the accumulation of additional experience,we have garnered fresh insights into its treatment ***,there remains a critical need for greater standardization in treatment protocols,alongside the pressing necessity for more robust and meticulously conducted studies to deepen our understanding of these protocols.

关键词： Coronavirus disease 2019-Corticosteroids Intravenous immunoglobulin Multisystem inflammatory syndrome in children-Treatment

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A self-organization formation configuration based assignment probability and collision detection

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Journal of Systems Engineering and Electronics 2024年第1期35卷 222-232页

作者： SONG Wei wang tong YANG Guangxin ZHANG Peng School of Harbin Engineering University Harbin 150001China Chinese Aeronautical Establishment Beijing 100010China

The formation control of multiple unmanned aerial vehicles(multi-UAVs)has always been a research *** on the straight line trajectory,a multi-UAVs target point assignment algorithm based on the assignment probability is proposed to achieve the shortest overall formation path of multi-UAVs with low complexity and reduce the energy *** order to avoid the collision between UAVs in the formation process,the concept of safety ball is introduced,and the collision detection based on continuous motion of two time slots and the lane occupation detection after motion is proposed to avoid collision between *** on the idea of game theory,a method of UAV motion form setting based on the maximization of interests is proposed,including the maximization of self-interest and the maximization of formation interest is proposed,so that multi-UAVs can complete the formation task quickly and reasonably with the linear trajectory assigned in ***,through simulation verification,the multi-UAVs target assignment algorithm based on the assignment probability proposed in this paper can effectively reduce the total path length,and the UAV motion selection method based on the maximization interests can effectively complete the task formation.

关键词： straight line trajectory assignment probability collision detection lane occupation detection maximization of interests

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Millimeter-wave PA design techniques in ISSCC 2024

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Journal of Semiconductors 2024年第4期45卷 16-18页

作者： yun wang Hongtao Xu State Key Laboratory of Integrated Chips and Systems School of MicroelectronicsFudan UniversityShanghai 201203China

Millimeter-wave systems with high integration level have been rapidly developed to enable modern wireless communication,sensing,and *** millimeter-wave power amplifier(PA)is one of the most challenging and critical components in a millimeter-wave transceiver,it is the last active stage in a transmitter amplifying spectrally efficient complex modulation signal for radiation with high output power.

关键词： millimeter Millimeter ISSCC

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A Hybrid Feature Fusion Traffic Sign Detection Algorithm Based on YOLOv7

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Computers, Materials & Continua 2024年第7期80卷 1425-1440页

作者： Bingyi Ren Juwei Zhang tong wang School of Mechanical Engineering Henan University of Science and TechnologyLuoyang471000China School of Information Engineering Henan University of Science and TechnologyLuoyang471000China School of Electronic Information Zhengzhou Institute of Aeronautical Industry ManagementZhengzhou450046China Henan Province New Energy Vehicle Power Electronics and Power Transmission Engineering Research Center Luoyang471000China

Autonomous driving technology has entered a period of rapid development,and traffic sign detection is one of the important *** target detection networks are difficult to adapt to scenarios where target sizes are seriously imbalanced,and traffic sign targets are small and have unclear features,which makes detection more ***,we propose aHybrid Feature Fusion Traffic Sign detection algorithmbased onYOLOv7(HFFTYOLO).First,a self-attention mechanism is incorporated at the end of the backbone network to calculate feature interactions within scales;Secondly,the cross-scale fusion part of the neck introduces a bottom-up multi-path fusion *** reuse paths at the end of the neck,paying particular attention to cross-scale fusion of highlevel *** addition,we found the appropriate channel width through a lot of experiments and reduced the superfluous *** terms of training,a newregression lossCMPDIoUis proposed,which not only considers the problem of loss degradation when the aspect ratio is the same but the width and height are different,but also enables the penalty term to dynamically change at different ***,our proposed improved method shows excellent results on the TT100K *** with the baseline model,without increasing the number of parameters and computational complexity,AP0.5 and AP increased by 2.2%and 2.7%,respectively,reaching 92.9%and 58.1%.

关键词： Small target detection YOLOv7 traffic sign detection regression loss

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