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Lactonization of dyes promoted by a coordination cage facilitates cavity-induced chromism as ion mobile detector

Science China Chemistry 2024年第5期67卷 1554-1560页

作者： liangliang Zhang Yu liang Zhifeng Xiao Yuxuan Meng jinyi Huang Xi lin Ji li Hong-Cai Zhou Yu Fang Strait Institute of Flexible Electronics(SIFE Future Technologies)Fujian Normal University and Strait Laboratory of Flexible Electronics(SLoFE)Fuzhou 350017China State Key Laboratory of Chemo/Bio-Sensing and Chemometrics College of Chemistry and Chemical EngineeringHunan UniversityChangsha 410082China Department of Chemistry Texas A&M UniversityCollege StationTexas 77842-3012USA State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002China Frontiers Science Center for Flexible Electronics(FSCFE) MIIT Key Laboratory of Flexible Electronics(KLoFE)Northwestern Polytechnical UniversityXi’an 710072China

Dye molecules often change colors(so-called “chromism”) according to the environment variation. However, they are rarely induced by a catalytic amount of cavity. Through encapsulation in the cavity of a porous coordination cage(PCC-2), Rhodamine B(1) is transformed from red quinonoid form(1q) into colorless lactone form(1l) in aprotic polar solutions. The μ4-OH groups in the cavity of PCC-2 are shown to stabilize the uncommon zwitterion intermediate(1z), followed by converting to 1l, thus accelerating the equilibrium. The chromism is catalyzed by 0.25 mol% of PCC-2, and the reaction rate is improved by 80,400times. 1@PCC-2 can be further fabricated to a sol-gel that exhibits ion recognition properties. The resulting encapsulation and stabilization of an unconventional intermediate by a catalytic amount of the coordination cage provides fundamental insights into molecular isomerization and has potential use in chemical sensing.

关键词： porous coordination cage Zwitterion intermediate cavity Rhodamine B chromism

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Influence of traffic on the temperature field of tunnel in cold region:A case study on the world’s longest highway spiral tunnel

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Underground Space 2023年第1期8卷 196-209页

作者： Yifan Jiang Jianyou Yu Ping Zhou Feicong Zhou Jiayong lin jinyi li Ming lin Feiya Lei Zhijie Wang Key Laboratory of Transportation Tunnel Engineering Ministry of EducationSouthwest Jiaotong UniversityChengduSichuan 610031China School of Civil Engineering Southwest Jiaotong UniversityChengduSichuan 610031China Project Office of Yanchong Highway Zhang JiakouHebei 075000China Faculty of Geosciences and Environmental Engineering Southwest Jiaotong UniversitySichuan 611756China Infrastructure Operations Department of West China Hospital Sichuan UniversityChengduSichuan 610000China

The impact of the piston wind caused by vehicle traffic on the temperature field distribution of the tunnel cannot be ignored,especially in spiral tunnels,where the temperature field distribution is more complicated than that in straight tunnels.Based on the world’s longest highway spiral tunnel,this study explores the influence of traffic on the temperature fields of spiral and straight tunnels,and proposes a new design method for laying length of insulation layer.The results show that traffic has a significant effect on the temperature field dis-tribution in the tunnel.The influence degree of different traffic elements decreases in the following order:average vehicle speed>daily traffic>morning rush hour>evening rush hour.The temperature field distribution of spiral tunnels is asymmetry on the left and right compared with straight tunnels,while the influence degree of traffic on the outside of spiral tunnels is similar to that of straight tunnels.Due to the difference of wind direction and traffic direction at different tunnel openings,an asymmetric insulation layer laying method is proposed.It is suggested that the lengths of the insulation layers of the Jinjiazhuang Tunnel should be 1200 m for the right tunnel inlet,700 m for the right tunnel outlet,700 m for the left tunnel inlet,and 1400 m for the left tunnel outlet.

关键词： Highway spiral tunnel Vehicle traffic Cold Region Temperature field Length of insulation layer

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Variation in humic and fulvic acids during thermal sludge treatment assessed by size fractionation, elementary analysis, and spectroscopic methods

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Frontiers of Environmental Science & Engineering 2014年第6期8卷 854-862页

作者： Yuning YANG Huan li jinyi li Key Laboratory of Microorganism Application and Risk Control of Shenzhen Graduate School at Shenzhen Tsinghua University Shenzhen 518055 China Joint Research Center of Urban Resource Recycling Technology of Graduate School at Shenzhen Tsinghua University and Shenzhen Green Eco-Manufacturer High-Tech Co. Ltd. Shenzhen 518055 China

热预告的处理能被用于污泥厌氧的消化或除去。为了在热污泥处理，腐殖的污泥和 fulvic 期间在腐殖的物质分析变化，酸在 30-min 前后被提取在 180

关键词：腐殖酸类污泥处理富里酸元素分析谱方法分子量分布评估污泥厌氧消化

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液流电池堆分析与计算程序

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储能科学与技术 2024年第3期13卷 879-892页

作者：李昂李晓蒙李京浩张谨奕国家电投北京和瑞储能科技有限公司北京102209

液流电池图形用户界面(graphic user interface,GUI)整合了电池堆内部电流分布、流体阻力、稳态自然对流散热、结构封装压力和螺柱选型。基本满足研发人员独立进行多学科计算的要求,能初步评估一款电池堆的性能。多分堆构型液流电池堆... 详细信息

液流电池图形用户界面(graphic user interface,GUI)整合了电池堆内部电流分布、流体阻力、稳态自然对流散热、结构封装压力和螺柱选型。基本满足研发人员独立进行多学科计算的要求,能初步评估一款电池堆的性能。多分堆构型液流电池堆的等效电路图采用网格法进行简化,并结合基尔霍夫电压定律求解恒流运行时的循环电流,并进一步计算出堆内逐节电池的实际通过电流、板框流道内的旁路电流,以及堆内主通道内汇总的旁路电流。电池堆流体阻力受板框流道设计、外接管路、电极参数和液位落差影响。矩形流道的达西摩擦系数采用经验方程计算,可将湍流阻力计算误差控制到10%,层流阻力计算误差极低,局部阻力系数采用达西3K参数式估算。电极流阻受电解液流经长度、电极渗透率和电解液黏度的影响。由于渗透率公式的计算结果偏离实验测量值较大,所以界面设定为实测值输入。电池堆按照有保温和无保温考虑在集装箱内的自然对流稳态散热,需要的输入参数包括电池堆的几何尺寸、保温层厚度、环境温度和堆内温度。封装力计算所用的单电池结构是板框配合内嵌盖板的形式。力主要用于找平板材翘曲、将密封垫压入密封槽、抵消内部液体压力和材料热膨胀,再以此进行螺柱选型。

关键词：液流电池仿真电流流体热力

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Ultrafast photoexcitation dynamics behavior of hydrogen-bonded polyfluorenol

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Chinese Chemical Letters 2024年第1期35卷 486-491页

作者： Man Xu Chuanxin Wei Yunlong Zhang Hao li Jingyao Ma jinyi lin Shengjie Wang Wei Xue Qi Wei linghai Xie Wei Huang State Key Laboratory of Organic Electronics and Information Displays&School of Chemistry and life Sciences&Institute of Advanced Materials(IAM) Nanjing University of Posts&TelecommunicationsNanjing 210023China Key Laboratory of Flexible Electronics(KLOFE)&Institute of Advanced Materials(IAM) Nanjing Tech University(NanjingTech)Nanjing 211816China Frontiers Science Center for Flexible Electronics(FSCFE) Shaanxi Institute of Flexible Electronics(SIFE)&Shaanxi Institute of Biomedical Materials and Engineering(SIBME)Northwestern Polytechnical UniversityXi’an 710072China

Exciton behavior is crucial to the exploitation of light-emitting conjugated polymer(LCPs)for optoelectronic devices.Singlet excitons are easily trapped by the intrinsically defect structures.Herein,we set a polyfluorenol(PPFOH)as an example to systematically investigate its photophysical behavior to check the role of defect structures in LCPs.According to time-resolved photoluminescence analysis,the feature emission peaks from individual chain of PPFOH in diluted DMF solution is effectively avoided the influence of fluorenone formation,but the residual green-band emission at 550nm is easily observed in the PL spectra of PPFOH dilute toluene solution obtained delay 1.5 ns,confirmed the formation of“guest”physical aggregation-induced defect structure.Remarkably,efficient and ultrafast energy transfer from individual chain to defect structure is observed in PPFOH films.Interestingly,the efficient energy transfer happened for the film obtained from DMF solution(200 ps)than those of toluene ones(600 ps).Meanwhile,compared to relatively stable green-band emission in PPFOH film from toluene solution,red-shifted emission peak(11 nm)of PPFOH film from DMF solutions exposed to saturated DNT vapor also confirmed their different aggregation-induced green-band emission.Therefore,this aggregation defect structures are influenced on the photophysical property of LCPs in solid states.

关键词： Photoexcitation dynamics Polyfluorenol Aggregation behavior Energy transfer Exciton migration

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A new ophiolitic mélange containing boninitic blocks in Alxa region:Implications for Permian subduction events in southern CAOB

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Geoscience Frontiers 2018年第5期9卷 1355-1367页

作者： Rongguo Zheng jinyi li Wenjiao Xiao lijia Wang Institute of Geology Chinese Academy of Geological SciencesBeijing 100037China Xinjiang Research Center for Mineral Resources Xinjiang Institute of Ecology and GeographyChinese Academy of SciencesUrumqi 830011China State Key Laboratory of lithospheric Evolution Institute of Geology and GeophysicsChinese Academy of SciencesBeijing 100029China CAS Center for Excellence in Tibetan Plateau Earth Science Chinese Academy of SciencesBeijing 100101China University of Chinese Academy of Sciences Beijing 100049China

The Alxa region, located in the southernmost part of Central Asian Orogenic Belt, is a key region for understanding the tectonic processes associated with the closure of the Paleo-Asian Ocean. Issues of late Paleozoic tectonic settings and tectonic unit divisions of the Alxa region still remain controversial. In this study, we report a new ophiolitic mélange named the Tepai ophiolitic mélange in the northern Alxa region, northwest of Alxa Youqi. The tectonic blocks in the Tepai ophiolitic mélange are mainly composed of serpentinized peridotites, serpentinites, mylonitized gabbros, gabbros, basalts, and quartzites, with a matrix comprising highly deformed clastic rocks. A gabbro exhibits a zircon LA-ICP-MS Ue Pb age of278.4 ± 3.3 Ma. Gabbros exhibit high Mg O and compatible element contents, but extremely low TiO_2,totally rare earth element and high field strength element contents. These rocks exhibit light rare earth element depleted patterns, and display enriched in large-ion lithophile elements and depleted in high field strength elements. Boninite-like geochemical data show that they were formed in a subductionrelated environment, and derived from an extremely depleted mantle source infiltrated by subduction-derived fluids and/or melts. The Tepai ophiolitic mélange exhibits similar zircon U-Pb-O isotopic compositions and whole-rock geochemical characteristics to those of the Quagan Qulu ophiolite.Therefore, we propose that the Tepai ophiolitic mélange may have been the western continuation of the Quagan Qulu ophiolite. Our new finding proves the final closure of the Paleo-Asian Ocean might have taken place later than the early Permian.

关键词： Alxa region CAOB Ophiolite LA-ICP MS U-Pb Oxygen isotope

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Structural Traces of Secondary Faults(Fractures) along the Main Faults and Their Reliability as Kinematic Indicators

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Acta Geologica Sinica(English Edition) 2011年第5期85卷 1137-1149页

作者： Jin ZHANG jinyi li Zongjin MA Wenjun REN Institute of Geology Chinese Academy of Geological Sciences Beijing 100037 China Institute of Geology China Earthquake Administration Beijing 100029 China Department of Chang Qing Geophysical Survey Geophysical Company Limited China National Petroleum Corporation Xi'an 710000 China

Secondary/minor structures occurring along the main fault surfaces are important indicators for judging the kinematic characteristics of faults.However,many factors can lead to the formation of these structures,which results in the difficulty for rapid judgment and application in the fields.A series of secondary faults/fractures developed due to the movement of main faults are the most important and widespread phenomena in the scope of brittle deformation.The morphology of the main fault surfaces is various,and former researchers mainly discussed the structures on the main even fault surfaces. However,the fluctuation of fault surfaces is the intrinsic character of the faults,and the intersection between the main fault and secondary faults/fractures can produce a series of kinematic indicators on the main fault surfaces.Based on previous studies and our observations,i.***.the structural traces of the P,R,R',T and X shears/faults along the main faults,some indicators which are rarely reported previously,are described in the paper.Furthermore,their reliabilities are also discussed,and more practical and reliable criteria are brought forward.We suggest that the simple application of congruous and incongruous steps without knowing their exact origins should be abandoned in the fields,and several types of indicators along one fault surface should be checked with each other as much as possible.Meanwhile,the origins of some other arcuate indicators on the fault surfaces are also discussed,and new models are brought forward.

关键词： secondary fracture/fault kinematic indicator fault surface fluctuation

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Structure-based design of pan-coronavirus inhibitors targeting host cathepsin L and calpain-1

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Signal Transduction and Targeted Therapy 2024年第4期9卷 1651-1664页

作者： Xiong Xie Qiaoshuai Lan jinyi Zhao Sulin Zhang Lu liu Yumin Zhang Wei Xu Maolin Shao Jingjing Peng Shuai Xia Yan Zhu Keke Zhang Xianglei Zhang Ruxue Zhang jian li Wenhao Dai Zhen Ge Shulei Hu Changyue Yu Jiang Wang Dakota Ma Mingyue Zheng Haitao Yang Gengfu Xiao Zihe Rao Lu Lu Leike Zhang Fang Bai Yao Zhao Shibo Jiang Hong liu Drug Discovery and Design Center State Key Laboratory of Drug ResearchCAS Key Laboratory of Receptor ResearchShanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China University of Chinese Academy of Sciences Beijing 100049China Key Laboratory of Medical Molecular Virology(MOE/NHC/CAMS) School of Basic Medical SciencesShanghai Institute of Infectious Disease and BiosecurityFudan UniversityShanghai 200032China Shanghai Institute for Advanced Immunochemical Studies and School of life Science and Technology ShanghaiTech UniversityShanghai 201210China State Key Laboratory of Virology Wuhan Institute of VirologyCenter for Biosafety Mega-ScienceChinese Academy of SciencesWuhan 430071China School of Chinese Materia Medica Nanjing University of Chinese Medicine138 Xian Lin RoadJiangsu 210023 NanjingChina School of Pharmaceutical Science and Technology Hangzhou Institute for Advanced StudyUCASHangzhou 310024China National Clinical Research Center for Infectious Disease Shenzhen Third People's HospitalShenzhen 518112China

Respiratory disease caused by coronavirus infection remains a global health crisis.Although several SARS-CoV-2-specific vaccines and direct-acting antivirals are available,their effcacy on emerging coronaviruses in the future,including SARS-CoV-2 variants,might be compromised.Host-targeting antivirals provide preventive and therapeutic strategies to overcome resistance and manage future outbreak of emerging coronaviruses.Cathepsin L(CTSL)and calpain-1(CAPN1)are host cysteine proteases which play crucial roles in coronaviral entrance into cells and infection-related immune response.Here,two peptidomimetic a-ketoamide compounds,14a and 14b,were identified as potent dual target inhibitors against CTSL and CAPN1.The X-ray crystal structures of human CTSL and CAPN1 in complex with 14a and 14b revealed the covalent binding of a-ketoamide groups of 14a and 14b to C25 of CTSL and C115 of CAPN1.Both showed potent and broad-spectrum anticoronaviral activities in vitro,and it is worth noting that they exhibited low nanomolar potency against SARS-CoV-2 and its variants of concern(VOCs)with ECso values ranging from 0.80 to 161.7 nM in various cells.Preliminary mechanistic exploration indicated that they exhibited anticoronaviral activity through blocking viral entrance.Moreover,14a and 14b exhibited good oral pharmacokinetic properties in mice,rats and dogs,and favorable safety in mice.In addition,both 14a and 14b treatments demonstrated potent antiviral potency against SARS-CoV-2 XBB 1.16 variant infection in a K18-hACE2 transgenic mouse model.And 14b also showed effective antiviral activity against HCoV-OC43 infection in a mouse model with a final survival rate of 60%.Further evaluation showed that 14a and 14b exhibited excellent antiinflammatory effects in Raw 264.7 mouse macrophages and in mice with acute pneumonia.Taken together,these results suggested that 14a and 14b are promising drug candidates,providing novel insight into developing pan-coronavirus inhibitors with antiviral and anti-inflammatory properties.

关键词： calpain overcome entrance

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抑尘液滴对煤表面动态润湿特征模拟评估方法

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煤炭学报 2024年第4期49卷 1931-1940页

作者：韩方伟彭莹莹张金宜赵月李建辽宁工程技术大学安全科学与工程学院辽宁葫芦岛125105 辽宁工程技术大学矿山热动力灾害与防治教育部重点实验室辽宁葫芦岛125105

在煤体表面喷洒抑尘液是涉煤工业企业常用抑尘手段,而抑尘液滴撞击煤表面的润湿过程对抑尘效果具有重要意义。为研究抑尘液滴在煤表面动态润湿过程以及进一步评估液滴润湿性能,提出了液滴撞击煤表面过程中动态润湿指标,基于CLSVOF数值... 详细信息

在煤体表面喷洒抑尘液是涉煤工业企业常用抑尘手段,而抑尘液滴撞击煤表面的润湿过程对抑尘效果具有重要意义。为研究抑尘液滴在煤表面动态润湿过程以及进一步评估液滴润湿性能,提出了液滴撞击煤表面过程中动态润湿指标,基于CLSVOF数值模拟法研究了液滴在煤表面动态润湿过程;利用无量纲润湿长度和无量纲润湿面积评价该过程中体现的润湿性能,并得出最大无量纲润湿长度与最大无量纲润湿面积相关理论表达,同时与表面张力的润湿性评估能力进行了比较。结果表明:CLSVOF方法能够较好地模拟液滴在煤表面的撞击以及动态润湿过程,可用来评估液滴对煤的动态润湿能力。液滴滴落在煤表面上,首先展铺为圆盘状,达到最大展铺时,圆盘边缘与中心存在速度差。当速度差较小时,液滴回缩汇聚成为一个液滴;当速度差较大时,液滴出现断裂行为,形成许多微小液滴。液滴粒径越大,断裂行为越早出现、现象越明显。一旦液滴在煤表面发生破裂,无量纲润湿长度与无量纲润湿面积并不是保持着一致性变化趋势,无量纲润湿面积评估能力更佳。液滴粒径相同时,撞击煤表面的韦伯数越大,润湿能力越好;相同速度下增加粒径对液滴润湿能力影响较小。与表面张力相比,无量纲润湿长度和无量纲润湿面积具有更好的液滴润湿性评估能力,体现出在润湿剂评价、优选中的潜在应用价值。

关键词：液滴撞击动态润湿无量纲润湿参数润湿性评估 CLSVOF

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快自旋小天体跨尺度光照不变匹配算法

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深空探测学报（中英文） 2024年第1期11卷 56-62页

作者：李帅李晋屹刘延杰邵巍黄翔宇青岛科技大学自动化与电子工程学院青岛266100 山东省深空自主着陆技术重点实验室青岛266100 北京控制工程研究所北京100094 空间智能控制技术全国重点实验室北京100094

小天体探测器附着过程中,图像存在尺度、视角和光照变化,传统特征匹配算法难以获得精准匹配。提出一种小天体跨尺度光照不变匹配算法。针对附着过程中图像存在尺度变化的问题,将全局注意力机制与空洞卷积相结合,构建尺度自适应调整模块... 详细信息

小天体探测器附着过程中,图像存在尺度、视角和光照变化,传统特征匹配算法难以获得精准匹配。提出一种小天体跨尺度光照不变匹配算法。针对附着过程中图像存在尺度变化的问题,将全局注意力机制与空洞卷积相结合,构建尺度自适应调整模块;设计视角不变特征提取模块解决特征匹配算法大视角变化下匹配正确率低的问题;结合自注意力机制与互注意力机制建立特征依赖关系,提取光照不变特征。利用谷神星及贝努的真实图像分别进行了实验验证,结果表明,本文所提出算法在大尺度、视角及光照变化下,特征匹配准确率达89%以上。

关键词：小天体特征匹配深度学习不变特征

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