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Science China Chemistry 2008年第8期51卷 768-775页

作者： CHENG JiaGao ZHU WeiLiang WANG YanLi YAN XiuHua LI Zhong TANG Yun JIANG hualiang School of Pharmacy East China University of Science and TechnologyShanghai 200237China Drug Discovery and Design Center Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China School of Sciences East China University of Science and TechnologyShanghai 200237China

The M2 protein from influenza A virus is a tetrameric ion channel. It was reported that the permeation of the ion channel is correlated with the hydrogen bond network among His37 residues and the cation-π interactions between His37 and Trp41. In the present study,the hydrogen bonding network of 4-methyl-imidazoles was built to mimic the hydrogen bonds between His37 residues,and the cation-π interactions between 4-methyl-imidazolium and indole systems were selected to represent the interac-tions between His37 and Trp41. Then,quantum chemistry calculations at the MP2/6-311G level were carried out to explore the properties of the hydrogen bonds and the cation-π interactions. The calcula-tion results indicate that the binding strength of the N-H···N hydrogen bond between imidazole rings is up to -6.22 kcal·mol-1,and the binding strength of the strongest cation-π interaction is up to -18.8 kcal·mol-1(T-shaped interaction) or -12.3 kcal·mol-1(parallel stacking interaction). Thus,the calcu-lated binding energies indicate that it is possible to control the permeation of the M2 ion channel through the hydrogen bond network and the cation-π interactions by altering the pH values.

关键词： cation-π interaction hydrogen bond noncovalent interaction ab initio calculation M2 protein

The Application and Research of the Liquid Level Control Technology Used in Mineral Flotation Process which Based on the Modbus Communication Protocol 25th

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The Application and Research of the Liquid Level Control Tec...

H13热作模具钢表面耐高温磨损涂层制备技术研究进展

第25届中国控制与决策会议

作者： Zhaoyong Li Shouming Zhang Jianliang Lang hualiang Shao Kunming University of Science and Technology Yuhang TCM hospital

ISBN: (纸本)9781467355322

Flotation level control is a very important part in the flotation mineral separation process. This article introduces one application of the Modbus RTU protocol which used in the flotation liquid level control system, discusses the S7-300’s programming ideas and methods which based on the form of communication, and optimize the communication strategy. The practical application shows that the system of flotation liquid level control which based on Modbus RTU protocol can get better control effect, and ensure a good target for the mineral separation.

关键词： Modbus RTU Protocol Liquid-level Control UDC3200 CP341 The Flotation Process

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陕西理工大学学报（自然科学版） 2024年第5期40卷 18-28页

作者：单华亮陶美悦庄文晨曹志强大连理工大学材料科学与工程学院辽宁大连116024 芯恩(青岛)集成电路有限公司山东青岛266500 大连理工大学宁波研究院浙江宁波315000

在工业生产中H13热作模具钢使用广泛,但是其高温情况下会发生磨损,疲劳失效普遍存在,这大大地影响生产的安全性,并且严重损害了经济效益。为了更好地探究分析H13热作模具钢的高温磨损情况,并改善其性能,提高其服役时间,国内外学者对H13... 详细信息

在工业生产中H13热作模具钢使用广泛,但是其高温情况下会发生磨损,疲劳失效普遍存在,这大大地影响生产的安全性,并且严重损害了经济效益。为了更好地探究分析H13热作模具钢的高温磨损情况,并改善其性能,提高其服役时间,国内外学者对H13钢进行了表面改性处理。在介绍H13钢研究现状的基础上,重点对激光熔覆、热喷涂技术、气相沉积技术,以及渗硼、渗碳、渗氮、多元共渗技术等化学热处理方法进行了总结,针对不同的方法对H13热作模具钢改性的优缺点进行分析,并对H13钢的高温磨损涂层制备技术进行了展望。

关键词：热作模具钢高温磨损表面改性

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考虑需求侧响应的电力碳银行结构及模型分析

电工技术 2024年第11期 5-10页

作者：雷庆生方华亮夏勇军郭齐涛国网湖北省电力有限公司经济技术研究院湖北武汉430072 武汉大学电气与自动化学院湖北武汉430072 湖北华中电力科技开发有限责任公司湖北武汉430072

随着可再生能源、用电负荷增长,电网中源荷峰谷差不断增大,传统调峰代价较高且碳排放大。基于区块链技术的公开透明、自治性、去中心化等特点,提出考虑负荷侧的调峰方式。提出电力碳银行的结构,由“源随荷动”变为“源荷互动”模式,把... 详细信息

随着可再生能源、用电负荷增长,电网中源荷峰谷差不断增大,传统调峰代价较高且碳排放大。基于区块链技术的公开透明、自治性、去中心化等特点,提出考虑负荷侧的调峰方式。提出电力碳银行的结构,由“源随荷动”变为“源荷互动”模式,把尖峰时刻的用电需求转移到低谷,降低负荷而不影响负荷用电需求。提出负荷控制模型及算法,引导用户主动参与电网的错峰平谷调控,实现负荷调控过程的精准化、高效化。最后结合某地区用电数据,应用电力碳银行下错峰平谷调控方法,有效快速降低了电网的负荷峰值,提高了电网运行安全稳定裕度。

关键词：需求侧响应区块链电力碳银行错峰平谷

Beneficial effects exerted by hydroxychloroquine in treating COVID-19 patients via protecting multiple organs

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Science China(Life Sciences) 2021年第2期64卷 330-333页

作者： Bo Yu Chenze Li Peng Chen Jia Li hualiang Jiang Dao-Wen Wang Division of Cardiology Department of Internal Medicine and Hubei Key Laboratory of Genetics and Molecular Mechanisms of Cardiological DisordersTongji HospitalTongji Medical CollegeHuazhong University of Science and TechnologyWuhan 430030China State Key Laboratory of Drug Research Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology Shanghai Tech UniversityShanghai 201210China

Dear *** coronavirus disease 2019(COVID-19)pandemic caused by widespread infection with the severe acute respiratory syndrome coronavirus 2(SARS-CoV-2)(Chen et al.,2020;Guan et al.,2020)has led to a global health *** than 3.5 million infections and 246,838 deaths have occurred as of May 4,2020(Saqrane and El Mhammedi,2020),with a rapid upward *** CO VID-19 patients suffer from complicated systemic injuries such as cardiac(Chen et al.,2020)and hepatic(Huang et al.,2020)damages.

关键词： al. organs patients

Determining PPARg-ligand binding affinity using fluorescent assay with cis-parinaric acid as a probe

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Science China Chemistry 2005年第2期48卷 122-131页

作者： GAO Zhenting LUO Haibin CHEN Lili SHEN Jianhua CHEN Kaixian JIANG hualiang SHEN Xu Drug Discovery and Design Center Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China

Upon the study of small-molecules binding to proteins, the traditional methods for calculating dissociation constants (Kd and Ki) have shortcomings in dealing with the single bind- ing site models. In this paper, two equations have been derived to solve this problem. These two equations are independent of the total concentration or initial degree of saturation of receptor and the activity of the competitive molecule. Through nonlinear fitting against these two equations, Kd value of a probe can be obtained by binding assay, and Ki value of a ligand can be obtained by competitive assay. Moreover, only the total concentrations of receptor([R]t), ligand([L]t) and probe([P]t) are required for the data fitting. In this work, Ki values of some typical ligands of PPARγ were successfully determined by use of our equations, among which the Ki value of PPARγ-LY171883 was reported for the first time.

关键词： displacement assay IC_(50) equilibrium dissociation constant PPAR cis-parinaric acid fluorescent probe

Motion direction prediction through spike timing based on micro Capsnet networks

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Science China(Technological Sciences) 2022年第11期65卷 2763-2775页

作者： ZHANG hualiang LIU Ji WANG BaoZeng DAI Jun LIAN JinLing KE Ang ZHAO YuWei ZHOU Jin WANG ChangYong Bejing Institute of Basic Medical Sciences Bejing 100850China School of Artificial Intlligence and Automation Huazhong University of Science and TechnologyWuhan 430074China

Neural activity extraction and neural decoding from neural signals are an important part of critical components of brain-computer interface *** the development of brain-computer interface technology,the demand for precise external control and nervous activities in macaque monkey during unilateral hand grasp has increased the complexity of control and neural decoding,which puts forward higher requirements for the accuracy and stability of feature extraction and neural *** this study,a micro Capsnet network architecture that consists of a few network layers,a vector feature structure,and optimization network parameters,is proposed to decrease the computing time and complexity,decrease artificial debugging,and improve the decoding *** with KNN,SVM,XGBOOST,CNN,Simple RNN,and LSTM,the algorithm in this study improves the decoding accuracy by 98.03%,and achieves state-of-the-art accuracy and stronger ***,the proposed algorithm can further enhance the control accuracy in the brain-computer interface.

关键词： spike timing micro Capsnet network brain-computer interface motion direction prediction optimized network parameter

Low dose of hydroxychloroquine reduces fatality of critically ill patients with COVID-19

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Science China(Life Sciences) 2020年第10期63卷 1515-1521页

作者： Bo Yu Chenze Li Peng Chen Ning Zhou Luyun Wang Jia Li hualiang Jiang Dao-Wen Wang Division of Cardiology Department of Internal Medicine and Hubei Key Laboratory of Genetics and Molecular Mechanisms of Cardiological DisordersTongji HospitalTongji Medical CollegeHuazhong University of Science and TechnologyWuhan 430030China State Key Laboratory of Drug Research Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and Technology Shanghai Tech UniversityShanghai 201210China

Coronavirus disease 2019(COVID-19)is a pandemic with no specific drugs and high *** most urgent need is to find effective *** sought to determine whether hydroxychloroquine(HCQ)application may reduce the death risk of critically ill COVID-19 *** this retrospective study,we included 550 critically ill COVID-19 patients who need mechanical ventilation in Tongji Hospital,Wuhan,from February 1,2020 to April 4,*** 550 patients received comparable basic treatments including antiviral drugs and antibiotics,and 48 of them were treated with oral HCQ treatment(200 mg twice a day for 7–10 days)in addition to the basic *** endpoint is fatality of patients,and inflammatory cytokine levels were compared between HCQ and non-hydroxychloroquine(NHCQ)*** found that fatalities are 18.8%(9/48)in HCQ group,which is significantly lower than 47.4%(238/502)in the NHCQ group(P<0.001).The time of hospital stay before patient death is 15(10–21)days and 8(4–14)days for the HCQ and NHCQ groups,respectively(P<0.05).The levels of inflammatory cytokine IL-6 were significantly reduced from 22.2(8.3–118.9)pg mL–1 at the beginning of the treatment to 5.2(3.0–23.4)pg mL–1(P<0.05)at the end of the treatment in the HCQ group but there is no change in the NHCQ *** data demonstrate that addition of HCQ on top of the basic treatments is highly effective in reducing the fatality of critically ill patients of COVID-19 through attenuation of inflammatory cytokine ***,HCQ should be prescribed as a part of treatment for critically ill COVID-19 patients,with possible outcome of saving lives.

关键词： patients drugs critically

Synthesis of magnetic Pb/Fe_(3)O_(4)/SiO_(2) and its catalytic activity for propylene carbonate synthesis via urea and 1,2-propylene glycol

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Frontiers of Chemical Science and Engineering 2009年第2期3卷 215-218页

作者： hualiang AN Xinqiang ZHAO Zhiguang JIA Changcheng WU Yanji WANG Hebei Provincial Key Lab of Green Chemical Technology and High Efficient Energy Saving Hebei University of TechnologyTianjin 300130China

To facilitate the recovery of Pb/SiO_(2) catalyst,magnetic Pb/Fe_(3)O_(4)/SiO_(2) samples were prepared separately by emulsification,sol-gel and incipient impregnation *** catalyst samples were characterized by means of X-ray diffraction and N_(2) adsorption-desorption,and their catalytic activity was investigated in the reaction for synthesizing propylene carbonate from urea and 1,2-propylene *** the gelatin was applied in the preparation of Fe_(3)O_(4) at 60℃ and the pH value was controlled at 4 in the preparation of Fe_(3)O_(4)/SiO_(2),the Pb/Fe_(3)O_(4)/SiO_(2) sample shows good catalytic activity and *** the reaction conditions of a reaction temperature of 180℃,reaction time of 2h,catalyst percentage of 1.7 wt-% and a molar ratio of urea to PG of 1∶4,the yield of propylene carbonate attained was 87.7%.

关键词： Pb/Fe_(3)O_(4)/SiO_(2)magnetic particle urea 1 2-propylene glycol propylene carbonate

In-situ construction of a Mg-modified interface to guide uniform lithium deposition for stable all-solid-state batteries

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Journal of Energy Chemistry 2021年第4期30卷 272-278页

作者： Tiefeng Liu Jiale Zheng hualiang Hu Ouwei Sheng Zhijin Ju Gongxun Lu Yujing Liu Jianwei Nai Yao Wang Wenkui Zhang Xinyong Tao College of Materials Science and Engineering Zhejiang University of TechnologyHangzhou 310014ZhejiangChina

Uniform lithium(Li)deposition in all-solid-state Li metal batteries is greatly influenced by the anode/electrolyte ***,a Mg-modified interface was constructed via the simple in-situ electrochemical reduction of Mg^(2+)from Mg(TFSI)_(2) in polyethylene oxide(PEO)and a Li bis(trifluoromethane)sulfoni mide(Li TFSI)*** confirmed by cryogenic transmission electron microscopy,the anode/electrolyte interface exhibited hybrids consisting of crystalline Mg,Li_(2)O,and Li dots embedded in an amorphous polymer *** crystalline Mg dots guided the uniform Li nucleation and growth,inducing a smoother anode/electrolyte interface compared with the pristine *** 1 wt%Mg(TFSI)_(2) in the PEO-Li TFSI electrolyte,the Mg-modified electrolyte enabled the Li/Li symmetric cells with cycling performance of over 1700 and 1400 h at current densities of 0.1 and 0.2 m A cm^(-2),***,the full LFP/Li cells using the novel Mg-modified electrolyte delivered a cycling lifespan of over 450 cycles with negligible capacity loss.

关键词： Li metal PEO electrolyte Mg-modified interface Li dendrite Cryo-TEM