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Discovery and characterization of naturally occurring covalent inhibitors of SARS-CoV-2 M^(pro)from the antiviral herb Ephedra

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Chinese Journal of Natural Medicines 2024年第9期22卷 797-807页

作者： hu Qing ZHANG Yiwen CHEN Pengcheng ZHANG Yani Zhu Guanghao LIU Wei WANG Chaoran ZHENG Shuilian SHEN Nonger WANG Haonan huANG Ping ge Guangbo Center for Clinical Pharmacy Cancer CenterDepartment of PharmacyZhejiang Provincial People’s Hospital(Affiliated People’s Hospital)Hangzhou Medical CollegeHangzhou 310014China Shanghai Frontiers Science Center of TCM Chemical Biology Institute of Interdisciplinary Integrative Medicine ResearchShanghai University of Traditional Chinese MedicineShanghai 201203China Shuguang Hospital Affiliated to Shanghai University of Traditional Chinese Medicine Shanghai 200021China Dalian Institute of Chemical Physics Chinese Academy of SciencesDalian 116023China

The Chinese herb Ephedra(also known as Mahuang)has been extensively utilized for the prevention and treatment of coronavirus-induced diseases,including coronavirus disease 2019(COVID-19).However,the specific anti-SARS-CoV-2 compounds and mechanisms have not been fully *** main protease(M^(pro))of SARS-CoV-2 is a highly conserved enzyme responsible for proteolytic processing during the viral life cycle,making it a critical target for the development of antiviral *** study aimed to identify naturally occurring covalent inhibitors of SARS-CoV-2 M^(pro)from Ephedra and to investigate their covalent binding *** results demonstrated that the non-alkaloid fraction of Ephedra(ENA)exhibited a potent inhibitory effect against the SARS-CoV-2 M^(pro)effect,whereas the alkaloid fraction did ***,the chemical constituents in ENA were identified,and the major constituents'anti-SARS-CoV-2 M^(pro)effects were *** the tested constituents,herbacetin(HE)and gallic acid(GA)were found to inhibit SARS-CoV-2 M^(pro)in a time-and dose-dependent *** combination displayed a significant synergistic effect on this key ***,various techniques,including inhibition kinetic assays,chemoproteomic methods,and molecular dynamics simulations,were employed to further elucidate the synergistic anti-M^(pro)mechanisms of the combination of HE and ***,this study deciphers the naturally occurring covalent inhibitors of SARS-CoV-2 M^(pro)from Ephedra and characterizes their synergistic anti-M^(pro)synergistic effect,providing robust evidence to support the anti-coronavirus efficacy of Ephedra.

关键词： Main protease Ephedra Ephedra non-alkaloid fraction Covalent inhibitors Synergistic effect

开放环境下区域技术知识存量的系统动力学分析

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科学学研究 2010年第7期28卷 1043-1051页

作者：葛沪飞仝允桓清华大学技术创新中心北京100084

开放环境下区域技术进步研究是发展中国家追赶的重要问题。区域技术能力可认为其所具有的能有效参与竞争的技术知识存量。自主R&D和FDI是区域技术知识积累的重要来源。技术差距、吸收能力等因素是开放环境下技术知识流入的重要因素,应... 详细信息

开放环境下区域技术进步研究是发展中国家追赶的重要问题。区域技术能力可认为其所具有的能有效参与竞争的技术知识存量。自主R&D和FDI是区域技术知识积累的重要来源。技术差距、吸收能力等因素是开放环境下技术知识流入的重要因素,应用系统动力学方法构建区域技术知识存量模型,并应用VensimPLE进行仿真分析。仿真结果发现,(1)FDI技术溢出与自主R&D投入对区域技术知识存量均有正向影响,但是效率存在显著差异;(2)在不同周期下,自主R&D与FDI替代与互补呈现不同特征;(3)技术差距调节自主R&D与FDI对区域技术知识存量影响;(4)FDI技术溢出存在"虚假效应"。

关键词： FDI 技术溢出自主研发知识存量系统动力学

Stay in touch with the endoplasmic reticulum

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Science China(Life Sciences) 2024年第2期67卷 230-257页

作者： Sha Sun Gan Zhao Mingkang Jia Qing Jiang Shulin Li Haibin Wang Wenjing Li Yunyun Wang Xin Bian Yan G.Zhao Xun huang ge Yang huaqing Cai Jose C.Pastor-Pareja Liang ge Chuanmao Zhang Junjie hu National Laboratory of Biomacromolecules Institute of BiophysicsUniversity of Chinese Academy of SciencesChinese Academy of SciencesBeijing 100101China The Ministry of Education Key Laboratory of Cell Proliferation and Differentiation College of Life SciencesPeking UniversityBeijing 100871China State Key Laboratory of Membrane Biology Tsinghua-Peking Center for Life SciencesSchool of Life SciencesTsinghua UniversityBeijing 100084China Laboratory of Computational Biology&Machine Intelligence School of Artificial IntelligenceUniversity of Chinese Academy of SciencesBeijing 100049China State Key Laboratory of Medicinal Chemical Biology College of Life SciencesNankai UniversityTianjin 300071China Brain Research Center Department of BiologySchool of Life SciencesSouthern University of Science and TechnologyShenzhen 518055China State Key Laboratory of Molecular Developmental Biology Institute of Genetics and Developmental BiologyInnovation Academy for Seed DesignChinese Academy of SciencesBeijing 100101China Institute of Neurosciences Consejo Superior de Investigaciones Científicas-Universidad Miguel HernándezSan Juan de Alicante 03550Spain

The endoplasmic reticulum(ER),which is composed of a continuous network of tubules and sheets,forms the most widely distributed membrane system in eukaryotic *** a result,it engages a variety of organelles by establishing membrane contact sites(MCSs).These contacts regulate organelle positioning and remodeling,including fusion and fission,facilitate precise lipid exchange,and couple vital signaling ***,we systematically review recent advances and converging themes on ER-involved organellar *** molecular basis,cellular influence,and potential physiological functions for ER/nuclear envelope contacts with mitochondria,Golgi,endosomes,lysosomes,lipid droplets,autophagosomes,and plasma membrane are summarized.

关键词： endoplasmic reticulum nuclear envelope mitochondria Golgi apparatus endosome lysosome lipid droplets autophagosome plasma membrane membrane contact site

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用线性化方法研究直齿圆柱齿轮的动态性能

机械工程学报 2006年第1期42卷 81-85页

作者：胡舸王建宏陈国冲重庆大学化学化工学院重庆400030 重庆大学机械工程学院重庆400030

首先建立了一对啮合齿轮的有限元模型,然后将用非线性方程表示的模型线性化,通过结合应用有限元理论和接触力学理论,得到齿轮的动态传输误差(eDTE)和接触力以及动态响应的关系。此方法在齿轮动态研究领域显示出了较强的优越性。由于将... 详细信息

首先建立了一对啮合齿轮的有限元模型,然后将用非线性方程表示的模型线性化,通过结合应用有限元理论和接触力学理论,得到齿轮的动态传输误差(eDTE)和接触力以及动态响应的关系。此方法在齿轮动态研究领域显示出了较强的优越性。由于将非线性问题转化成线性问题,避开了冗长的迭代过程,加速了求解过程。再者,在接触及其附近区域使用接触力学理论,仅用数目较少的单元就可得到精度足够的解。

关键词：有限元分析接触力学直齿圆柱齿轮动态性能线性化

R-matrix for the 8-Dimensional Spin Representation of Uq(so7)

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Acta Mathematica Sinica,English Series 2024年第2期40卷 485-497页

作者： Hong Mei hu Nai Hong hu School of Mathematical Sciences Suzhou University of Science and TechnologySuzhou 215009P.R.China School of Mathematical Sciences MOE Key Laboratory of Mathematics and Engineering Applications&Shanghai Key Laboratory of PMMPEast China Normal UniversityShanghai 200241P.R.China

The purpose of the paper is to describe the solution to the quantum Yang-Baxter equation associated with the 8-dimensional spin representation Tsp of Uq(so7).The self-duality of Tsp and the symmetry of the corresponding braiding matrix are ***,the minimal polynomial of the braiding R-matrix of Tsp is presented explicitly in an ingenious method by taking advantage of nice features of the spin representation Tsp.

关键词： Braiding R-matrix spin module minimal polynomial

Mapping out the reaction network of humin formation at the initial stage of fructose dehydration in water

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Green Energy & Environment 2024年第6期9卷 1016-1026页

作者： Xing Fu Yexin hu Ping hu hui Li Shuguang Xu Liangfang Zhu Changwei hu Key Laboratory of Green Chemistry and Technology Ministry of EducationCollege of ChemistrySichuan UniversityChengduSichuan610064China State Key Laboratory of Southwestern Chinese Medicine Resources Innovative Institute of Chinese Medicine and PharmacyChengdu University of Traditional Chinese MedicineChengduSichuan611137China

The formation of humins hampers the large-scale production of 5-hydroxymethylfurfural(HMF)in ***,a detailed reaction network of humin formation at the initial stage of fructose-to-HMF dehydration in water is delineated by combined experimental,spectroscopic,and theoretical *** bimolecular reaction pathways to build up soluble humins are *** is,the intermolecular etherification of β-furanose at room temperature initiates the C12 path,whereas the C-C cleavage of a-furanose at 130-150℃ leads to C11 path,and that of open-chain fructose at 180℃ to C11' *** successive intramolecular dehydrations and condensations of the as-formed bimolecular intermediates lead to three types of soluble *** show that the C12 path could be restrained by using HCl or AlCl_(3) catalyst,and both the C12 and C110 paths could be effectively inhibited by adding THF as a co-solvent or accelerating heating rate via microwave heating.

关键词： Carbohydrates 5-hydroxymethylfurfural Reaction network Soluble humins Tautomer

Investigation of mechanical and electrical characteristics of selfsensing pneumatic torsional actuators

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Science China(Technological Sciences) 2024年第1期67卷 130-142页

作者： XIAO Wei hu DeAn hu GuoLiang XIAO Yihua Key Laboratory of Conveyance and Equipment Ministry of EducationEast China Jiaotong UniversityNanchang 330013China Key Laboratory of Advanced Design and Simulation Techniques for Special Equipment Ministry of EducationHunan UniversityChangsha 410082China

Soft pneumatic actuators are one of the most promising actuation for soft robots,and great achievements have been *** it remains challenging to endow sensing capabilities to pneumatic actuators,especially for the sensing ability originating directly from the actuator ***,a self-sensing pneumatic torsional actuator(SPTA)is designed based on the electromagnetic induction effect and magnetically responsive *** SPTA can generate feedback voltage and current with the deformation,in which the sensing function comes from its inherent *** investigate the mechanical and electrical characteristics,an experimental platform and a finite element model are established,*** find that the torsion angle and output torque increase in nonlinear with the actuating *** maximum torsion angle is 66.35°,which is 84.34%of that for the actuator fabricated by pure *** maximum output torque(24.9 N mm)improves by 23.19%compared with the actuator made by pure *** regards the electrical characteristics,the maximum feedback voltage and current are 2.90μV and 29.50 nA when the SPTA is actuated by a pressure of−40 *** also demonstrate that the relationship between the torsion angle and the magnetic flux change is approximately ***,the number of turns of wires,magnetic powders contents,and magnetic direction on the feedback voltage and current are *** show that the feedback voltage and current can be enhanced by increasing the number of turns and magnetic powders *** envision that the SPTA would be promising for soft robots to realize their accuracy control and intelligentization.

关键词： pneumatic torsional actuators self-sensing feedback voltage finite element modeling soft robots

The occurrence characteristics of oil in shales matrix from organic geochemical screening data and pore structure properties:An experimental study Author links open overlay panel

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Petroleum Science 2024年第1期21卷 1-13页

作者： Zi-Zhi Lin Jun-Qian Li Shuang-Fang Lu Qin-Hong hu Peng-Fei Zhang Jun-Jie Wang Qi Zhi Hong-Sheng huang Na Yin Yue Wang Tian-Chen ge National Key Laboratory of Deep Oil and Gas China University of Petroleum(East China)Qingdao 266580ShandongChina School of geosciences China University of Petroleum(East China)Qingdao 266580ShandongChina Sanya Offshore Oil&Gas Research Institute Northeast Petroleum UniversitySanya 572025HainanChina College of Earth Science and Engineering Shandong University of Science and TechnologyQingdao 266590ShandongChina

The occurrence characteristics of shale oil are of great significance to the movability of shale *** this study,the occurrence characteristics of oil in the shale matrix at Funing Formation shale in Subei Basin were quantitatively evaluated by organic geochemistry and microscopic pore structure characterization *** Multiple Isothermal Stages Pyrolysis(MIS)experiment results show that the content of total oil,adsorbed oil,and free oil in the shales are 3.15-11.25 mg/g,1.41-4.95 mg/g,and 1.74-6.51 mg/g,*** which the silicon-rich shale has the best *** relative content of free oil shows an increasing trend in pores with pore diameters greater than 3 *** the relative content of free oil reaches 100%,the pore size of silicon-rich shale is about 200 nm,while that of calcium-rich shale,clay-rich shale,and siliceous mixed shale is about 10 *** occurrence law of adsorbed oil is opposite to that of free oil,which indicates that shale oil will occur in the pores and fractures in a free state in a more extensive pore size range(>200 nm).This study also enables us to further understand the occurrence characteristics of shale oil under the interaction of occurrence state and occurrence space.

关键词： Shale oil Occurrence characteristics Sequential solvent extraction Low-temperature nitrogen adsorption Funing Formation Dongtai Depression

Effect of CO_(2) Opposing Multiple Jets on Thermoacoustic Instability and NO_(x) Emissions in a Lean-Premixed Model Combustor

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Journal of Thermal Science 2024年第1期33卷 207-221页

作者： ZHOU Hao hu Liubin Institute for Thermal Power Engineering State Key Laboratory of Clean Energy UtilizationZhejiang UniversityHangzhou 310027China

This paper experimentally studied the effect of CO_(2) opposing multiple jets on the thermoacoustic instability and NO_(x) emissions in a lean-premixed model *** feasibility was verified from three variables:the CO_(2) jet flow rate,hole numbers,and hole diameters of the *** indicate that the control effect of thermoacoustic instability and NO_x emissions show a reverse trend with the increase of open area ratio on the whole,and the optimal jet flow rate range is 1-4 L/min with CO_(2) opposing multiple *** this flow rate range,the amplitude and frequency of the dynamic pressure and heat release signals CH~* basically decrease as the CO_(2) flow rate increases,which avoids high-frequency and high-amplitude thermoacoustic *** amplitude-damped ratio of dynamic pressure and CH*can reach as high as 98.75% and 93.64% with an optimal open area ratio of 3.72%.NO_(x) emissions also decrease as the jet flow rate increases,and the maximum suppression ratio can reach 68.14%.Besides,the flame shape changes from a steep inverted "V" to a more flat "M",and the flame length will become shorter with CO_(2) opposing multiple *** research achieved the synchronous control of thermoacoustic instability and NO_(x) emissions,which could be a design reference for constructing a safer and cleaner combustor.

关键词： thermoacoustic instability lean-premixed model combustor CO_(2)opposing multiple jets open area ratio NO_(x)emissions