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Discovery of TK-642 as a highly potent,selective,orally bioavailable pyrazolopyrazine-based allosteric SHP2 inhibitor

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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

Cloud Microphysical Characteristics of Typhoon Meranti(2016)during Its Rapid Intensification:Model Validation and SST Sensitivity Experiments

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Journal of Meteorological Research 2024年第3期38卷 542-557页

作者： Rui wang Yihong DUAN Jianing feng Department of Atmospheric and Oceanic Sciences&Institute of Atmospheric Sciences Fudan UniversityShanghai200438China State Key Laboratory of Severe Weather Chinese Academy of Meteorological SciencesChina Meteorological AdministrationBeijing100081China

Cloud microphysics plays an important role in determining the intensity and precipitation of tropical cyclones(TCs).In this study,a high-resolution numerical simulation by WRF(version 4.2)of Typhoon Meranti(2016)during its rapid intensification(RI)period was conducted and validated by multi-source observations including Cloud-Sat and Global Precipitation Mission satellite *** snow and ice particles content were found to increase most rapidly compared with other hydrometeors during the RI *** all hydrometeors continued to *** graupel content only increased in the initial RI stage,and then decreased afterwards due to precipitation during the RI *** addition,sea surface temperature(SST)sensitivity experiments showed that,although the intensity of the TC increased with a higher SST,not all hydrometeors *** graupel content continued to increase with the increase in SST,mainly due to the accumulation of more lower-temperature supercooled water vapor at the corresponding *** content of snow decreased with the increase in SST because stronger vertical motion at the corresponding height affected the aggregation of ice crystals.

关键词： tropical cyclone rapid intensification cloud microphysical characteristics sea surface temperature(SST)

Self-Assembled Protein Hybrid Nanofibrils for Photosynthetic Hydrogen Evolution

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CCS Chemistry 2024年第3期6卷 812-823页

作者： Weijian Chen Xiantao Hu Andi Hu Luyang Ji Yiming Huang Hao Heng Fude feng shu wang Department of Polymer Science and Engineering School of Chemistry and Chemical EngineeringNanjing UniversityJiangsuNanjing 210023 Beijing National Laboratory for Molecular Sciences Key Laboratory of Organic SolidsInstitute of ChemistryChinese Academy of SciencesBeijing 100190

In artificial photosynthesis systems,synthetic diiron complexes are popular[FeFe]-hydrogenase mimics,which are attractive for the fabrication of photocatalyst-protein hybrid structures to amplify hydrogen(H2)generation ***,constructing a highly bionic and efficient catalytic hybrid system is a major ***,we designed an ideal hybrid nanofibrils system that incorporates the crucial components:(1)a[FeFe]-H2ase mimic,which has a three-arm architecture(named triFeFe)for more interaction sites and higher catalytic activity and(2)uniform hybrid nanofibrils as the biological environment in which cysteine-catalyst coordination and the hydrogen-bonding network play a vital role in both catalyst binding and hydrogen evolution reaction *** assembled hybrid nanofibrils achieve efficient H2 generation with a turnover number of 2.3×103,outperforming previously reported diiron catalyst-protein hybrid ***,the hybrid nanofibrils work with photosynthetic thylakoids to produce H2,without extra photosensitizers or electron shuttle proteins,which advances the bioengineering of living systems for solar-driven biofuel production.

关键词： hybrid photocatalyst in situ assembly amyloid fibrils photosynthetic hydrogen evolution thylakoid

Advancing mid-infrared microdisk laser emission with Tm:YAG

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Science China(Physics,Mechanics & Astronomy) 2024年第7期67卷 91-96页

作者： Zhaocong wang Huiqi Li Lei wang Yang Tan feng Chen School of Physics State Key Laboratory of Crystal MaterialsShandong UniversityJinan 250100China

Mid-infrared microcavity lasers have important applications in biosensing,mid-infrared spectroscopy,and environmental ***,the low output power of existing mid-infrared microcavity lasers hinders their practical *** drawback is attributed to the insufficient laser gain medium,which limits the development of mid-infrared whispering-gallerymode(WGM)*** address this issue,we have employed ion implantation-enhanced etching to fabricate Tm:YAG thin films as effective gain media for mid-infrared WGM *** Tm:YAG thin film,with a thickness of 2μm,exhibits excellent fluorescence ***,the Tm:YAG thin film is processed using focused ion beam to form microdisks with a diameter of 30μ*** 785 nm laser pumping,the maximum output power of the Tm:YAG microdisk at 2023.1 nm is229μW,with a slope efficiency of 2.9%.This work demonstrates the outstanding potential of Tm:YAG as a mid-infrared laser gain medium,providing a new option for the development of mid-infrared lasers.

关键词： microdisk microlaser ultrathin film

Covariate-Assisted Matrix Completion with Multiple Structural Breaks

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Journal of Systems Science & Complexity 2024年第2期37卷 692-728页

作者： MENG Jing feng Long ZOU Changliang wang Zhaojun School of Statistics and Data Science KLMDASRLEBPSand LPMCNankai UniversityTianjin 300071China

In matrix completion,additional covariates often provide valuable information for completing the unobserved entries of a high-dimensional low-rank matrix *** this paper,the authors consider the matrix recovery problem when there are multiple structural breaks in the coefficient matrix β under the column-space-decomposition model A=Xβ+B.A cumulative sum(CUSUM)statistic is constructed based on the penalized estimation of β.Then the CUSUM is incorporated into the Wild Binary Segmentation(WBS)algorithm to consistently estimate the location of ***,a nearly-optimal recovery of A is *** findings are further corroborated via numerical experiments and a real-data application.

关键词： Additional covariates matrix completion multiple structural breaks wild Binary Segmentation

A new method for identifying flow pattern of spouted fluidized bed by coupling Hilbert-Huang transform characteristics of differential pressure signals in different zones

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Particuology 2024年第6期89卷 67-78页

作者： Yongzhi Mei Yang wang Lihui Zhang feng Duan School of Energy and Environment Anhui University of TechnologyMaanshan243002China Wuhu Technology and Innovation Research Institute Wuhu241000China Wuhu Cigarette Factory of China Tobacco Anhui Industrial Co. Ldt.Wuhu241002China

On a cold spouted fluidized bed,this study compares the characteristic differences in intrinsic mode function(IMF)energy and Hilbert–Huang spectrum between the spout zone and annulus zone under different combinations of spouted gas and fluidized gas flow rates for five typical flow *** energy distribution characteristics under different flow patterns are also *** Hilbert–Huang spectrum and IMF energy of pressure difference signals exhibit distinct variations in different zones as the flow pattern ***,there exists a correlation between the energy in the middle-frequency range and the flow *** the K-means algorithm,the middle-frequency range energy of IMFs in the spout zone and annulus zone is subjected to clustering analysis,leading to the identification of partition boundaries for each flow *** on this,a flow pattern identification method of spouted fluidized bed coupled with middle-frequency range energy in spout zone and annulus zone is proposed,which has very high identification accuracy.

关键词： Spouted fluidized bed Flow pattern Zoning signal Flow pattern transition Hilbert-Huang transform

High-efficiency crystalline white organic lightemitting diodes

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Light(Science & Applications) 2024年第4期13卷 747-759页

作者： Yijun Liu feng Zhu Yue wang Donghang Yan State Key Laboratory of Polymer Physics and Chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China. School of Applied Chemistry and Engineering University of Science and Technology of ChinaHefei 230026China. State Key Laboratory of Supramolecular Structure and Materials Jilin UniversityChangchun 130012China

Crystalline white organic light-emitting diodes(C-WOLEDs)are promising candidates for lighting and display *** is urgently necessary,however,to develop energy-saving and high-efficiency C-WOLEDs that have stable and powerful emission to meet commercial ***,we report a crystalline host matrix(CHM)with embedded nanoaggregates(NA)structure for developing high-performance C-WOLEDs by employing a thermally activated delayed fluorescence(TADF)material and orange phosphorescent dopants(Phos.-D).The CHM-TADFNA-D WOLED exhibit a remarkable EQE of 12.8%,which is the highest performance WOLEDs based on crystalline *** device has a quick formation of excitons and a well-designed energy transfer process,and possesses a fast ramping of luminance and current *** to recently reported high-performance WOLEDs based on amorphous material route,the C-WOLED achieves a low series-resistance Joule-heat loss ratio and an enhanced photon output,demonstrating its significant potential in developing the next-generation WOLEDs.

关键词： diodes dopant crystalline

Parameter calibration of the tensile-shear interactive damage constitutive model for sandstone failure

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第4期16卷 1153-1174页

作者： Yun shu Zheming Zhu Meng wang Weiting Gao Fei wang Duanying Wan Yuntao wang MOE Key Laboratory of Deep Earth Science and Engineering College of Architecture and EnvironmentSichuan UniversityChengdu610065China Failure Mechanics and Engineering Disaster Prevention Key Laboratory of Sichuan ProvinceSichuan UniversityChengdu610065China Tianfu Engineering-oriented Numerical Simulation & Software Innovation Center Chengdu620107China

The tensile-shear interactive damage(TSID)model is a novel and powerful constitutive model for rock-like *** study proposes a methodology to calibrate the TSID model parameters to simulate *** basic parameters of sandstone are determined through a series of static and dynamic tests,including uniaxial compression,Brazilian disc,triaxial compression under varying confining pressures,hydrostatic compression,and dynamic compression and tensile tests with a split Hopkinson pressure *** on the sandstone test results from this study and previous research,a step-by-step procedure for parameter calibration is outlined,which accounts for the categories of the strength surface,equation of state(EOS),strain rate effect,and *** calibrated parameters are verified through numerical tests that correspond to the experimental loading *** between numerical results and experimental data indicates the precision and reliability of the calibrated *** methodology presented in this study is scientifically sound,straightforward,and essential for improving the TSID ***,it has the potential to contribute to other rock constitutive models,particularly new user-defined models.

关键词： Damage constitutive model Parameter calibration Rock modeling Sandstone Dynamic impact load Tensile-shear interactive damage(TSID)model

One-step pore diffusion mechanism of Li^(+) in solid electrolyte interphase for fast-charging lithium-ion battery

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Rare Metals 2024年第7期43卷 3438-3440页

作者： Shan wang shu-Yuan Liu Alireza Khataee Ke-Zhen Qi College of Pharmacy Dali UniversityDali 671000China Research Laboratory of Advanced Water and Wastewater Treatment Processes Department of Applied ChemistryFaculty of ChemistryUniversity of TabrizTabriz 51666-16471Iran Peoples'Friendship University of Russia(RUDN University) Moscow117198Russian Federation

Li^(+) transport in solid electrolyte interphase is recognized as important factor,which has become a research ***,an one-step pore diffusion mechanism for Li^(+) transport through solid electrolyte interphase was proposed,which was different from previous two-step *** one-step pore diffusion process could effectively eliminate the dynamic limitations of Li^(+) transport in solid electrolyte interphase (SEI) for rapid charging *** work will contribute to the development of rapid charging lithium-ion batteries.

关键词： battery mechanism electrolyte