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钝感高能炸药三氨基三硝基苯高温高压下热力学性质的分子动力学模拟研究

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物理学报 2016年第6期65卷 255-265页

作者：范航聂福德龙瑶陈军中国工程物理研究院化工材料研究所绵阳621900 北京应用物理与计算数学研究所北京100088

热力学性质是钝感高能炸药1,3,5-三氨基-2,4,6-三硝基苯(TATB)爆轰性质和安全性评估分析的重要参数.由于结构的复杂性,TATB炸药尚缺乏系统的实验和理论计算结果.结合全原子力场和分子动力学的方法,本文系统研究了不同温度和压力条件下T... 详细信息

热力学性质是钝感高能炸药1,3,5-三氨基-2,4,6-三硝基苯(TATB)爆轰性质和安全性评估分析的重要参数.由于结构的复杂性,TATB炸药尚缺乏系统的实验和理论计算结果.结合全原子力场和分子动力学的方法,本文系统研究了不同温度和压力条件下TATB的力学性质和热力学参数,得到了弹性模量、德拜温度等随温度、压力的变化情况,并与实验进行了对比分析.结果表明:在0—50 GPa外部压力下,TATB晶体保持力学稳定,弹性常数和弹性模量随压力升高而增大,各向异性程度随压力升高而减小,泊松比和延展性则受压力的影响较小;随温度的升高,TATB的力学稳定性逐渐下降,有发生力学失稳的可能,各弹性常数随温度升高而逐渐减小,各向异性程度也随之减小;TATB的声速和德拜温度同样随着压力升高而增大,平均声速从0 GPa下的1833 m/s,增加到10 GPa下的3143 m/s,德拜温度由0 GPa下的254 K增加到10 GPa的587 ***热膨胀系数的计算表明,在200—500 K温度常压情况下,其体热膨胀系数为35.9×10-5K^(-1),与实验数据符合较好.

关键词：三氨基三硝基苯分子动力学弹性常数热力学参数

Integrating polygenic and clinical risks to improve stroke risk stratification in prospective Chinese cohorts

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Science China(Life Sciences) 2023年第7期66卷 1626-1635页

作者： Qingmei Cui Fangchao Liu Jianxin Li Xiaoge Niu Zhongying Liu chong Shen Dongsheng Hu Keyong Huang Shufeng chen Jie Cao Xiaoqing Liu Ling Yu Fanghong Lu Xianping Wu Liancheng Zhao Jianfeng Huang Ying Li Zhibin Hu Hongbing Shen Dongfeng Gu Xiangfeng Lu Department of Epidemiology Fuwai HospitalNational Center for Cardiovascular DiseasesChinese Academy of Medical Sciences&Peking Union Medical CollegeBeijing100037China Key Laboratory of Cardiovascular Epidemiology Chinese Academy of Medical SciencesBeijing100037China Department of Nephrology Henan Provincial Key Laboratory of Kidney Disease and ImmunologyHenan Provincial Clinical Research Center for Kidney DiseaseHenan Provincial People’s Hospital and People’s Hospital of Zhengzhou UniversityZhengzhou450053China Department of Epidemiology and Biostatistics Center for Global HealthSchool of Public HealthNanjing Medical UniversityNanjing211166China Department of Epidemiology and Health Statistics College of Public HealthZhengzhou UniversityZhengzhou450001China Department of Prevention Medicine Shenzhen University School of MedicineShenzhen518060China Division of Epidemiology Guangdong Provincial People’s Hospital and Cardiovascular InstituteGuangzhou510080China Department of Cardiology Fujian Provincial People’s HospitalFuzhou350014China Cardio-Cerebrovascular Control and Research Center Institute of Basic MedicineShandong Academy of Medical SciencesJinan250062China Sichuan Center for Disease Control and Prevention Chengdu610041China Research Units of Cohort Study on Cardiovascular Diseases and Cancers Chinese Academy of Medical SciencesBeijing100730China School of Medicine Southern University of Science and TechnologyShenzhen518055China

The utility of the polygenic risk score(PRS)to identify individuals at higher risk of stroke beyond clinical risk remains unclear,and we clarified this using Chinese population-based prospective *** proportional hazards models were used to estimate the 10-year risk,and Fine and Gray’s models were used for hazard ratios(HRs),their 95%confidence intervals(CIs),and the lifetime risk according to PRS and clinical risk categories.A total of 41,006 individuals aged 30–75 years with a mean follow-up of 9.0 years were *** the top versus bottom 5%of the PRS,the HR was 3.01(95%CI 2.03–4.45)in the total population,and similar findings were observed within clinical risk *** gradients in the 10-year and lifetime risk across PRS categories were also found within clinical risk ***,among individuals with intermediate clinical risk,the 10-year risk for those in the top 5%of the PRS(7.3%,95%CI 7.1%–7.5%)reached the threshold of high clinical risk(≥7.0%)for initiating preventive treatment,and this effect of the PRS on refining risk stratification was evident for ischemic *** among those in the top 10%and 20%of the PRS,the 10-year risk would also exceed this level when aged≥50 and≥60 years,***,the combination of the PRS with the clinical risk score improved the risk stratification within clinical risk strata and distinguished actual high-risk individuals with intermediate clinical risk.

关键词： stroke polygenic risk score clinical risk score utility stratification

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高速旋转物体频闪在线相位测量轮廓术

光学学报 2019年第8期39卷 183-191页

作者：种晴曹益平陈雨婷四川大学电子信息学院

为了实现高速旋转工件的在线三维面形检测,提出一种高速旋转物体频闪在线相位测量轮廓术(PMP)三维测量方法。利用圆形正弦光栅替代线形正弦光栅,采用高密度二元编码光栅替代灰度编码光栅,设计专用频闪同步控制单元同时触发投影系统频闪... 详细信息

为了实现高速旋转工件的在线三维面形检测,提出一种高速旋转物体频闪在线相位测量轮廓术(PMP)三维测量方法。利用圆形正弦光栅替代线形正弦光栅,采用高密度二元编码光栅替代灰度编码光栅,设计专用频闪同步控制单元同时触发投影系统频闪投射相移光栅和图像采集单元同步获取图像,获得物体在同一"冻结"位置下的相移变形条纹后,采用静态PMP相移算法重建物体的三维面形信息。实验结果表明,该方法具备可行性和实用性,可有效避免工件离线检测时多次装夹不一致引入的加工误差,能够提高工件的检测效率和加工效率,可用于其他高速旋转物体的三维面形重建。

关键词：测量频闪在线相位测量轮廓术圆形正弦光栅同步单元高速旋转物体

The China tuberculosis clinical trials consortium network:a model for international TB clinical trials capacity building

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Infectious Diseases of Poverty 2020年第3期9卷 148-149页

作者： Yu-Hong Liu Shu chen Jing-Tao Gao yao Zhang Kimberly Booher Xiao-Fen Ding Wei Shu Jian Du Jing Bao Richard Hafner Carol D.Hamilton Liang Li Beijing Chest Hospital Capital Medical University/Beijing Tuberculosis and Thoracic Tumor InstituteNo.9Beiguan AveTongzhou DistrictBeijing 101149China 不详

Background:With the second largest tuberculosis(TB)burden globally,China is committed to actively engage in international TB clinical trials to contribute to global TB ***,lack of research capacity among local sites has been identified as a *** text:The China Tuberculosis Clinical Trials Consortium(CTCTC)was initiated by Beijing Chest Hospital with investment from the US National Institutes of Health and technical support from Family Health International 360 in 2013,as a nationwide collaborative clinical trial network to strengthen selected clinical site research capacity and attract TB clinical *** program aims to:1)recruit leading hospitals that care for TB patients;2)conduct on-site assessment to identify capacity gaps and needs for improvement;3)design and deliver capacity building activities;4)attract and deliver high quality results for TB clinical trials.A total of 24 sites have joined CTCTC,covering 20 provinces in ***-two sites have been accredited by the National Medical Products Administration(NMPA)to be qualified to conduct TB clinical *** onsite assessment,extensive trainings among the CTCTC sites and young investigators have resulted in better understanding and improvement of the site capacity in conducting TB clinical *** establishment and growth of the CTCTC network has benefited from the good leadership,effective international cooperation and local *** in human resources,regulatory environment and sustainability have been challenging the network from continuing *** researchers have full-time clinical responsibilities in China and it is thus important to build a cadre of other human resources to *** regulatory environment is becoming friendlier in China to introduce international clinical trials to the CTCTC ***:The CTCTC,with mature management structure and sustainable development model,which are distilled five key lessons for other developing countr

关键词： Clinical trial consortium Tuberculosis Capacity building China

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基于广义积分器的电力单相锁相环研究

高压电器 2011年第4期47卷 13-16,22页

作者：王冲於锋陈荣江苏大学电气信息工程学院镇江212013 盐城工学院盐城224000

针对目前软件锁相环技术存在锁相误差及滤波延时的不足,笔者基于瞬时无功理论的单相锁相环技术,提出一种通过二阶广义积分器来构造正交信号的方法。并对输入电压存在直流分量的情况下,分析了正交电压分量输出的偏移情况,设计一个前馈低... 详细信息

针对目前软件锁相环技术存在锁相误差及滤波延时的不足,笔者基于瞬时无功理论的单相锁相环技术,提出一种通过二阶广义积分器来构造正交信号的方法。并对输入电压存在直流分量的情况下,分析了正交电压分量输出的偏移情况,设计一个前馈低通滤波器后,性能有了明显的改善。最后通过在PSCAD/EMTDC中单相可控并联无功补偿(TCPC)系统仿真的基础上验证了该方案可以有效提高锁相精度并对电压畸变有较强的抑制作用,因此适用于实际的单相系统。

关键词：单相锁相环广义积分器 TCPC 电压畸变

Land Use Change and Driving Forces in Guangzhou City during 1996- 2012

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Asian Agricultural Research 2015年第9期7卷 33-40页

作者： Yiying yao Dafang WU Yanyan LIU Yihua LIU Qixian chen Haolong chen Jiaxin WU Jialiang ZHONG School of Geographical Sciences Guangzhou University Civil Architecture Science Research and Design Institute of Guangzhou

Based on the statistical data of land use change,from the perspective of sustainable use,we use literature inquiry,statistical analysis,GIS spatial analysis and dynamic degree model of land use,to analyze the land use change characteristics,land use amount and spatial distribution characteristics in Guangzhou City during 1996- 2012,and further elaborate the driving forces of land use change to get the basic law of land use change in Guangzhou City. The results show that the construction land was rapidly expanded,causing a significant reduction in arable land( from 129286 ha in 1996 to 84567 ha in 2012); in construction land,the land for residential,industrial and mining use and transportation land dramatically increased,and the single dynamic degree of transportation land was close to 7. 1%. In comparison with other developed cities,it is found that economic factors and policy factors are important factors affecting land use change in Guangzhou City,and the growth rate of economic density of land was high in Tianhe District and Yuexiu District. From the perspective of sustainable use,the future land use in Guangzhou City needs to better coordinate the relationship between various types of land,between socio-economic development and coordinated land use development,between environmental protection and land development and utilization. Through a series of land consolidation activities,it is necessary to strengthen the protection of farmland,improve the intensive and economical use of construction land,improve the ecological environment,and coordinate development of urban and rural areas,to ultimately achieve sustainable land use in Guangzhou City.

关键词： Land use change Driving forces Sustainability Guan

通过远端碳氮双键迁移实现非活化烯烃的三氟甲硫基化反应

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化学学报 2018年第12期76卷 951-955页

作者：陈栋吉梅山姚英明朱晨苏州大学材料与化学化工学部苏州215123 中国科学院上海有机化学研究所天然产物有机合成重点实验室上海200032

利用自由基参与的官能团迁移策略实现了非活化烯烃的三氟甲硫基化反应.通过Ag SCF3和K2S2O8相互作用产生的三氟甲硫基自由基与非活化烯烃反应,继而诱导远端含有碳氮双键官能团(杂芳基、亚胺)的分子内迁移,从而实现非活化烯烃的三氟甲硫... 详细信息

利用自由基参与的官能团迁移策略实现了非活化烯烃的三氟甲硫基化反应.通过Ag SCF3和K2S2O8相互作用产生的三氟甲硫基自由基与非活化烯烃反应,继而诱导远端含有碳氮双键官能团(杂芳基、亚胺)的分子内迁移,从而实现非活化烯烃的三氟甲硫基化反应.该转化具有反应条件温和、产物收率高、官能团兼容性广及区域选择性单一等特点,对具有不同电性和位阻的底物具有较好的适用性,高效构建了一系列含有三氟甲硫基的烷烃酮化合物.

关键词：烯烃双官能团化三氟甲硫基迁移反应自由基反应杂芳基

Mechanism Analysis of Gui Jianyu in treating Hypertension complicated with Impaired Glucose Tolerance Based on Network Pharmacology and Molecular Docking

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TMR Modern Herbal Medicine 2022年第2期5卷 20-28页

作者： Ying chen Shi-Yi Tao Lu Zhou De-Shuang Yang chong-Xiang Xue Li Huang China and Japan Friendship School of Clinical Medicine Beijing University of Traditional Chinese MedicineBeijing 100029China School of Traditional Chinese Medicine Beijing University of Traditional Chinese MedicineBeijing 100029China Department of Integrative Cardiology China Japan Friendship HospitalBeijing 100029China

Objective To explore the mechanism of Gui Jianyu(Euonymus alatus(Thunb.)Sieb.)in treating hypertension(HT)complicated with impaired glucose tolerance(IGT)based on network pharmacology and molecular docking *** The main chemical components and targets of Gui Jianyu were obtained from TCMSP *** Swiss Target Prediction platform was used to predict drug-related targets for *** disease targets of HT complicated with IGT were obtained from GenCards,OMIM and DrugBank *** intersection targets of drugs and two diseases were obtained by R and Veen Diagram was *** protein-protein interaction(PPI)network model was constructed in STRING platform and visualized by Cytoscape *** and KEGG analysis on Metascape platform were used to analyse the common *** of main drug components-disease targets-pathways was established with Cytoscape ***,the molecular docking between the core regulatory active components of Gui Jianyu and the core targets were verified by Autodock *** Eight active components and 357 corresponding targets were obtained.681 HT related targets and 727 IGT related targets,196 disease intersection targets,and 57 Gui Jianyu targets in the treatment of HT complicated with IGT were confirmed.20 GO and 19 KEGG main pathways were *** docking of 2 key active ingredients with 2 key targets showed that all results scores were less than-5.0 kcal·*** and kaempferol,the key active components,had good binding activity with AKT1 and *** Gui Jianyu may play a key role in the treatment of HT complicated with IGT by reducing insulin *** work explored the common pathogenesis of HT complicated with IGT,and also provided a reference for further pharmacological research and exploration the efficacy of Gui Jianyu for HT complicated with IGT.

关键词： Network pharmacology Molecular docking Insulin resistance Gui Jianyu Hypertension Impaired glucose tolerance

An Artemisinin Derivative ART1 Induces Ferroptosis by Targeting the HSD17B4 Protein Essential for Lipid Metabolism and Directly Inducing Lipid Peroxidation

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CCS Chemistry 2022年第1期4卷 304-317页

作者： Jingjing Xie Guangya Zhu Ming Gao Jie Xi Ge chen Xinxin Ma Yu Yan Zhiyuan Wang Ze-Jun Xu Hui-Jun chen Hong-Dong Hao yaoyang Zhang Zhu-Jun yao Jidong Zhu Interdisciplinary Research Center on Biology and Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 201203 University of the Chinese Academy of Sciences Beijing 100049 State Key Laboratory of Coordination Chemistry Jiangsu Key Laboratory of Advanced Organic MaterialsSchool of Chemistry and Chemical EngineeringNanjing UniversityNanjingJiangsu 210023 School of Life Sciences Westlake UniversityHangzhou 310012 Department of Translational Research in Psychiatry Max Planck Institute of PsychiatryMunich 80804 State Key Laboratory of Bioorganic and Natural Products Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032 Center for Excellence in Molecular Synthesis Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032

Artemisinin and its derivatives,commonly known as antimalarial drugs,have gradually come to be regarded as potential antitumor agents,although their cytotoxic efficacy and mechanisms of action remain to be ***,we report that an artemisinin analog,ART1,can potently induce ferroptosis in a subset of cancer cell ***–activity relationship(SAR)analysis reveals that both the endoperoxide moiety and the artemisinin skeleton are required for the antitumor activity of *** with ART1-based small-molecule tools,chemical proteomic analysis identified the HSD17B4 protein as a direct target of ***17B4 resides in peroxisomes and is an essential enzyme in the catabolism of very-long-chain fatty *** results demonstrate that ART1 initiates ferroptosis through selective oxidation of the fatty acids in peroxisomes by hijacking the HSD17B4 protein without disturbing its enzymatic function,providing a promising mechanism to develop therapeutics for cancer treatment.

关键词： artemisinin derivative antitumor ferroptosis HSD17B4 selectivity mesenchymal