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Recent advance in porous coordination polymers from the viewpoint of crystalline-state transformation

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Science China Chemistry 2011年第9期54卷 1371-1394页

作者： YIN Zheng zeng minghua Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources Ministry of EducationSchool of Chemistry&Chemical EngineeringGuangxi Normal UniversityGuilin 541004China

Recently,research of crystalline-state transformation involving the removal/inclusion of guest molecules in porous coordination polymers(PCPs) was ***-state transformation,especially,single-crystal to single-crystal(SC-SC) transformation as new method for the direct observation of host-guest chemistry,can reveal the intrinsic relevance and interaction between the framework and guest *** review describes our work concerning PCPs and recent investigations of others,within the last four years,from the viewpoint of crystalline-state transformations of PCPs on guest removal or inclusion *** substitution reaction and postsynthetic modification of PCPs in SC-SC fashion which were distinguished from conventional crystalline-state transformation triggered by guest removal or exchange were highlighted in this *** research status of crystalline-state transformation in China was briefly introduced as *** of structure analysis techniques including single-crystal X-ray diffraction,powder X-ray diffraction,neutron diffraction,inelastic neutron scattering as well as the application of synchrotron radiation light source will inevitably promote the advance of study of crystalline-state *** as a hotspot,deep investigations of crystalline-state transformation also help us to overcome the challenge of achieving multifunction and the correlation among them,such as sorption,magnetism,optical or electrical properties simultaneously in PCPs and contribute to design stimulate-oriented porous intelligent materials in the future.

关键词： porous coordination polymer crystalline-state transformation ligand substitution reaction postsynthetic modification structure analysis techniques

基于充电预约与分时电价的带时间窗电动车辆路径问题研究

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交通节能与环保 2024年第2期20卷 88-93页

作者：邹岳曾明华华东交通大学交通运输工程学院江西南昌330013

本文考虑充电预约和分时电价,将客运需求的电动车辆路径问题建模为0-1的整数规划模型。模型中目标函数是最小化总运营成本,约束条件主要包括车辆路径约束、分时电价约束、充电预约约束等。基于遗传算法框架,设计了1个求解算法,计算后得... 详细信息

本文考虑充电预约和分时电价,将客运需求的电动车辆路径问题建模为0-1的整数规划模型。模型中目标函数是最小化总运营成本,约束条件主要包括车辆路径约束、分时电价约束、充电预约约束等。基于遗传算法框架,设计了1个求解算法,计算后得出结论:(1)考虑分时电价时,EV充电时间会尽可能集中于电价低谷期;(2)进一步考虑充电预约,EV的总运营成本减少6.74%。

关键词：电动车辆分时电价充电预约时间窗遗传算法

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混合时间窗多类应急物资电动车辆配送研究

交通节能与环保 2024年第3期20卷 78-82,96页

作者：崔一伟曾明华华东交通大学交通运输工程学院江西南昌330000

为进一步提高配送效率且减少配送成本,本文针对多类物资提出了可跨周期的混合时间窗配送方法。以最小配送总成本为目标,考虑车辆路径约束、非常紧急与一般紧急物资的配送时间窗约束、车辆充电约束等,建立多类应急物资电动车辆配送路径... 详细信息

为进一步提高配送效率且减少配送成本,本文针对多类物资提出了可跨周期的混合时间窗配送方法。以最小配送总成本为目标,考虑车辆路径约束、非常紧急与一般紧急物资的配送时间窗约束、车辆充电约束等,建立多类应急物资电动车辆配送路径优化模型,并基于遗传算法设计了模型求解算法。在实例中,对比分析了有无优先级、软时间窗的情况,对比最终形成的最优路径以及客户点满意率的结果表明,该模型能够在应急条件下对紧急物资的配送做到总花费成本最小,顾客满意率较高。

关键词：电动车辆配送路径多类应急物资混合时间窗优先级

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银-二芳基乙烯化合物的合成及其光致变色性质的研究

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湖北大学学报（自然科学版） 2024年第2期46卷 233-238页

作者：李邵蕊徐海兵曾明华湖北省先进有机化学材料协同创新中心(湖北大学) 有机功能分子合成与应用教育部重点实验室(湖北大学)湖北武汉430062 广西师范大学化学与药物科学系广西桂林541006

金属介导的分子开关配合物在有机光电功能材料及分子器件等领域具有广阔的应用前景。本工作通过配位导向机制将金属离子Ag I与二芳基乙烯开关L结合,制备一种银-二芳基乙烯配位化合物[L-AgNO_(3)]_(2)(CHCl_(3))_(2)(Ag-L)。其单晶结构表... 详细信息

金属介导的分子开关配合物在有机光电功能材料及分子器件等领域具有广阔的应用前景。本工作通过配位导向机制将金属离子Ag I与二芳基乙烯开关L结合,制备一种银-二芳基乙烯配位化合物[L-AgNO_(3)]_(2)(CHCl_(3))_(2)(Ag-L)。其单晶结构表明,中心金属离子Ag I与L上不同位置的N原子发生配位作用形成一个扭曲的四面体。通过红外光谱(IR)及核磁共振氢谱(1H NMR)对其结构进行表征,利用紫外-可见分光光谱仪(UV-Vis)研究Ag-L的光致变色行为,探索了其在不同介质中的开闭环过程。一系列研究结果表明,Ag-L化合物在二氯甲烷溶液和聚甲基丙烯酸甲酯(PMMA)中均具有良好的可逆光致变色性质。

关键词：二芳基乙烯分子开关金属-有机配合物光致变色

Cobalt(Ⅱ)/manganese(Ⅱ)-based molecular metamagnets

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Science China Chemistry 2012年第6期55卷 893-905页

作者： ZHOU YanLing HU YueQiao zeng minghua Key Laboratory for the Chemistry and Molecular Engineering of Medicinal Resources Ministry of Education School of Chemistry and Chemical Engineering Guangxi Normal University Guilin 541004 China School of Chemistry and Chemical Engineering Guangxi University Nanning 541004 China

This mini-review covers recent progress in the field of cobalt(Ⅱ)/manganese(Ⅱ)-based molecular metamagnets, which can undergo magnetic phase transitions to a state with a net magnetic moment under the stimulation of external field. We simply discuss mean field theory describing these compounds and the important role of the magnetic anisotropy. The experimental properties of the known Co(Ⅱ)/Mn(Ⅱ) metamagnets are discussed, with emphasis on the variety of means by which the metamagnetic transitions have been observed and studied.

关键词： cobalt(Ⅱ)/manganese(Ⅱ)-based molecular metamagnets mean field theory magnetic anisotropy

Pt_(1)/Ni_(6)Co_(1)layered double hydroxides/N-doped graphene for electrochemical non-enzymatic glucose sensing by synergistic enhancement of single atoms and doping

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Nano Research 2023年第1期16卷 318-324页

作者： Baojun Long Peiyu Cao Yuanmeng Zhao Qianqian Fu Yan Mo Yueming Zhai Juejing Liu Xingyi Lyu Tao Li Xiaofeng Guo Changsheng Shan minghua zeng Ministry-of-Education Key Laboratory for the Synthesis and Application of Organic Functional Molecules College of Chemistry and Chemical EngineeringHubei UniversityWuhan 430062China Key Laboratory for the Chemistry and Molecular Engineering of Medicinal Resources School of Chemistry and Pharmaceutical SciencesGuangxi Normal UniversityGuilin 541004China The Institute for Advanced Studies(IAS) Wuhan UniversityWuhan 430072China Material Science and Engineering Program Washington State UniversityPullmanWA 99164USA Department of Chemistry and Alexandra Navrotsky Institute for Experimental Thermodynamics Washington State UniversityPullmanWA 99164USA X-ray Science Division Argonne National LaboratoryArgonneIL 60439USA Department of Chemistry and Biochemistry Northern Illinois UniversityDeKalbIL 60115USA

The development of novel single-atom catalysts is important for highly efficient electrochemical catalysis and *** this work,a novel Pt single atoms(SAs)supported on Ni_(6)Co_(1)layered double hydroxides/nitrogen-doped graphene(Pt_(1)/Ni_(6)Co_(1)LDHs/NG)was constructed for electrochemical enzyme-free catalysis and sensing towards *** loading of Pt single atoms increases with doping of Co atoms that generate more anchoring sites for Pt *** resulting Pt_(1)/Ni_(6)Co_(1)LDHs/NG exhibits low oxidative potential of 0.440 V with high sensitivity of 273.78μA·mM^(−1)·cm^(−2)toward glucose,which are 85 mV lower and 15 times higher than those of Ni(OH)_(2),***_(1)/Ni_(6)Co_(1)LDHs/NG also shows excellent selectivity and great stability during 5-week *** and experimental results show that the boosted performance of Pt_(1)/Ni_(6)Co_(1)LDHs/NG originates from its stronger binding energy with glucose and the synergistic effect of Pt SAs,Co doping,and *** work provides a general strategy of designing highly active SACs for extending their application in electrochemical sensing.

关键词： single-atom catalysts electrochemical sensor layered double hydroxides nitrogen-doped graphene synergistic effect

CAS-ESM2.0 Successfully Reproduces Historical Atmospheric CO_(2) in a Coupled Carbon−Climate Simulation

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Advances in Atmospheric Sciences 2024年第4期41卷 572-580页

作者： Jiawen ZHU Juanxiong HE Duoying JI Yangchun LI He ZHANG minghua ZHANG Xiaodong zeng Kece FEI Jiangbo JIN International Center for Climate and Environment Sciences Institute of Atmospheric PhysicsChinese Academy of SciencesBeijing 100029China Collaborative Innovation Center on Forecast and Evaluation of Meteorological Disasters(CIC-FEMD) Nanjing University of Information Science&TechnologyNanjing 210044China College of Global Change and Earth System Science Beijing Normal UniversityBeijing 100875China State Key Laboratory of Atmospheric Boundary Layer Physics and Atmospheric Chemistry Institute of Atmospheric Physics Chinese Academy of SciencesBeijing 100029China School of Marine and Atmospheric Sciences Stony Brook UniversityNY 11790USA University of Chinese Academy of Sciences Beijing 100049China

The atmospheric carbon dioxide(CO_(2))concentration has been increasing rapidly since the Industrial Revolution,which has led to unequivocal global warming and crucial environmental *** is extremely important to investigate the interactions among atmospheric CO_(2),the physical climate system,and the carbon cycle of the underlying surface for a better understanding of the Earth *** system models are widely used to investigate these interactions via coupled carbon-climate *** Chinese Academy of Sciences Earth System Model version 2(CAS-ESM2.0)has successfully fixed a two-way coupling of atmospheric CO_(2)with the climate and carbon cycle on land and in the *** CAS-ESM2.0,we conducted a coupled carbon-climate simulation by following the CMIP6 proposal of a historical emissions-driven *** paper examines the modeled CO_(2)by comparison with observed CO_(2)at the sites of Mauna Loa and Barrow,and the Greenhouse Gases Observing Satellite(GOSAT)CO_(2)*** results showed that CAS-ESM2.0 agrees very well with observations in reproducing the increasing trend of annual CO_(2)during the period 1850-2014,and in capturing the seasonal cycle of CO_(2)at the two baseline sites,as well as over northern high *** agreements illustrate a good ability of CAS-ESM2.0 in simulating carbon-climate interactions,even though uncertainties remain in the processes *** paper reports an important stage of the development of CAS-ESM with the coupling of carbon and climate,which will provide significant scientific support for climate research and China’s goal of carbon neutrality.

关键词： CAS-ESM atmospheric CO_(2) coupled carbon-climate simulation emissions-driven CMIP6 experiment

Cobalt(Ⅱ)/manganese(Ⅱ)-based molecular metamagnets

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中国科学:化学 2012年第6期42卷 883-883页

关键词：分子锰基础钴平均场理论磁各向异性磁相变化合物

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交通网络演化规律

同济大学学报（自然科学版） 2010年第3期38卷 368-373页

作者：李夏苗曾明华中南大学交通运输工程学院湖南长沙410075 北京交通大学轨道交通控制与安全国家重点实验室北京100044

基于城市空间结构与交通系统的动态互馈原理和交通系统的内在运行机制,以微观机理融合宏观机制为指导思想构建交通网络演化模型与算法,研究交通网络演化规律.在短期内,纳入道路用户外部性构造目标函数,进而建立交通系统最优模型;在较长... 详细信息

基于城市空间结构与交通系统的动态互馈原理和交通系统的内在运行机制,以微观机理融合宏观机制为指导思想构建交通网络演化模型与算法,研究交通网络演化规律.在短期内,纳入道路用户外部性构造目标函数,进而建立交通系统最优模型;在较长时期,利用交通系统和城市空间结构之间的动态互馈作用、区域间经济联系的概念以及无标度网络演化规则的设计理念设计交通网络演化规则,刻画演化机制.实例研究表明,随着网络的演化,出现了层次现象并越来越清晰,更为重要的是,交通网络总费用随之下降;利用介数中心性定义了一种新的交通网络熵,该网络熵也呈现减小趋势,揭示了随着交通网络渐进地向有序演化,交通系统性能得以不断优化.

关键词：动态互馈原理用户外部性城市空间结构演化规则网络熵