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芳香化合物磺化反应机理的计算化学研究

化学教育（中英文） 2024年第10期45卷 100-104页

作者：孙悦竹杨一莹张冬菊山东大学化学与化工学院山东济南250100

磺化反应是芳香化合物最重要的反应类型之一。最新理论研究表明,磺化反应一般遵循三分子反应机理,这与有机化学教材中描述的双分子机理有明显区别。以甲苯的磺化反应为例,通过密度泛函理论计算研究了磺化反应的分子机理、区域选择性以... 详细信息

磺化反应是芳香化合物最重要的反应类型之一。最新理论研究表明,磺化反应一般遵循三分子反应机理,这与有机化学教材中描述的双分子机理有明显区别。以甲苯的磺化反应为例,通过密度泛函理论计算研究了磺化反应的分子机理、区域选择性以及溶剂对反应性能的影响,并通过比较苯、甲苯和硝基苯磺化反应的计算结果,分析了取代基对磺化反应性能的影响。旨在通过对模型反应的计算化学研究,及时更新并深化对磺化反应机理的理解,进而提高相关教学内容的创新性、高阶性和挑战度。

关键词：芳香化合物磺化反应反应机理密度泛函理论

Theoretical Study on the Dark Oxidation Reaction Mechanism of Ethers

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Chinese Journal of Structural Chemistry 2006年第11期25卷 1402-1408页

作者： WANG Gui-Xiu ZHU Rong-Xiu zhang dong-ju LIU Cheng-Bu School of Chemistry and Chemical Engineering Shandong University Jinan 250100 China

The dark oxidation reactions of ethers including aether, isopropyl ether, phenyl isopropyl ether, and benzyl isopropyl ether have been studied by using density functional theory calculations. The structures of initial Contact charge transfer complexes （CCTCs）, transition states and caged radical intermediates have been located at the B3LYP/6-31G （d） level, The bonding nature of ethers with triplet 02 in CCTCs has been analyzed, and the detailed mechanism of dark oxidation reactions of ether is presented clearly.

关键词： ethers dark oxidation contact charge transfer complex reaction mechanism DFT

ZINDO-SOS Studies on Second-order Nonlinear Optical Properties of Thiophene S,S-Dioxide Chromophores

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Chemical Research in Chinese Universities 2002年第1期18卷 42-46页

作者： LIU Yong-jun HU Hai-Quan zhang dong-ju LIU Cheng-Bu Institute of Theoretical Chemistry Shandong UniversityJinan 250100P.R.China Department of Chemistry Qufu Normal UniversityQufu 273165P.R.China

The second-order nonlinear optical properties of thiophene S,S -dioxides derivatives were studied by using the ZINDO-SOS method. The computed results show that the thiophene S,S -dioxide derivatives exhibit larger second-order polarizabilities than their thiophene precursors. In order to clarify the origin of the different NLO responses among these chromophores, their electron properties and frontier orbital properties were investigated as well. These thiophene S,S -dioxides derivatives are good candidates for their application in electro-optical device due to their high nonlinearities, good thermal and photo stabilities.

关键词： Second-order optical polarizability Thiophene S,S -dioxides derivatives ZINDO-SOS

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当前高校基建工程审计面临的挑战与策略分析

湖北第二师范学院学报 2024年第5期41卷 72-75页

作者：周婉怡张冬菊夏念李靓侯琳武汉纺织大学审计处武汉430073

从新形势下高校基建工程项目的特点入手,探讨当前高校工程审计所面临的问题与挑战。为了实现高校工程审计的可持续发展,保障高校建设资金的使用效益,通过对相关文献的研究以及对高校工程审计现状的调查,结合理论和实践两方面,分析并提... 详细信息

从新形势下高校基建工程项目的特点入手,探讨当前高校工程审计所面临的问题与挑战。为了实现高校工程审计的可持续发展,保障高校建设资金的使用效益,通过对相关文献的研究以及对高校工程审计现状的调查,结合理论和实践两方面,分析并提出了解决问题的建议以及相应的策略分析,为提升高校工程审计水平,实现高校工程审计的可持续发展提供一定帮助。

关键词：高校基建工程审计

The combined application of stem cells and three-dimensional bioprinting scaffolds for the repair of spinal cord injury

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Neural Regeneration Research 2024年第8期19卷 1751-1758页

作者： Dingyue ju Chuanming dong Department of Anatomy Medical College of Nantong UniversityNantongJiangsu ProvinceChina Key Laboratory of Neuroregeneration of Jiangsu and Ministry of Education Co-innovation Center of NeuroregenerationNantong UniversityNantongJiangsu ProvinceChina

Spinal cord injury is considered one of the most difficult injuries to repair and has one of the worst prognoses for injuries to the nervous *** surgery,the poor regenerative capacity of nerve cells and the generation of new scars can make it very difficult for the impaired nervous system to restore its neural *** treatments can only alleviate secondary injuries but cannot fundamentally repair the spinal ***,there is a critical need to develop new treatments to promote functional repair after spinal cord *** recent years,there have been seve ral developments in the use of stem cell therapy for the treatment of spinal cord *** significant developments in the field of tissue engineering,three-dimensional bioprinting technology has become a hot research topic due to its ability to accurately print complex *** led to the loading of three-dimensional bioprinting scaffolds which provided precise cell *** three-dimensional bioprinting scaffolds co uld repair damaged neural circuits and had the potential to repair the damaged spinal *** this review,we discuss the mechanisms underlying simple stem cell therapy,the application of different types of stem cells for the treatment of spinal cord injury,and the different manufa cturing methods for three-dimensional bioprinting *** particular,we focus on the development of three-dimensional bioprinting scaffolds for the treatment of spinal cord injury.

关键词： biomaterials embryonic stem cells induced pluripotent stem cells mesenchymal stem cells nerve regeneration spinal cord injury stem cell therapy stem cells three-dimensional bioprinting

Invasion, expansion, and control of Bactrocera dorsalis(Hendel) in China

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Journal of Integrative Agriculture 2019年第4期18卷 771-787页

作者： LIU Huan zhang dong-ju XU Yi-juan WANG Lei CHENG Dai-feng QI Yi-xiang ZENG Ling LU Yong-yue Department of Entomology South China Agricultural University

The Oriental fruit fly, Bactrocera dorsalis(Hendel), is among the most destructive fruit/vegetable-eating agricultural pests in the world, particularly in Asian countries such as China. Because of its widespread distribution, invasive ability, pest status, and economic losses to fruit and vegetable crops, this insect species is viewed as an organism warranting severe quarantine restrictions by many countries in the world. To understand the characteristics and potential for expansion of this pest, this article assembled current knowledge on the occurrence and comprehensive control of the Oriental fruit fly in China concerning the following key aspects: invasion and expansion process, biological and ecological characteristics, dynamic monitoring, chemical ecology, function of symbionts, mechanism of insecticide resistance, control index, and comprehensive control and countermeasures. Some suggestions for the further control and study of this pest are also proposed.

关键词： Oriental fruit fly invasion biology ecology management China

An Embedded Consensus ADMM Distribution Algorithm Based on Outer Approximation for Improved Robust State Estimation of Networked

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Journal of Modern Power Systems and Clean Energy 2024年第4期12卷 1217-1226页

作者： Zifeng zhang Yuntao ju State Grid Information&Telecommunication Group Co. Ltd.Beijing BranchBejingChina School of Electrical and Control Engineering North China University of TechnologyBeijingChina

Networked microgrids(NMGs)are critical in theaccommodation of distributed renewable ***,theexisting centralized state estimation(SE)cannot meet the demandsof NMGs in distributed energy *** currentestimator is also not robust against bad *** study introducesthe concepts of relative error to construct an improvedrobust SE(IRSE)optimization model with mixed-integer nonlinearprogramming(MINLP)that overcomes the disadvantage ofinaccurate results derived from different measurements whenthe same tolerance range is considered in the robust SE(RSE).To improve the computation efficiency of the IRSE optimizationmodel,the number of binary variables is reduced based on theprojection statistics and normalized residual methods,which effectivelyavoid the problem of slow convergence or divergenceof the algorithm caused by too many integer ***,an embedded consensus alternating direction of multiplier method(ADMM)distribution algorithm based on outer approximation(OA)is proposed to solve the IRSE optimization *** algorithm can accurately detect bad data and obtain SE resultsthat communicate only the boundary coupling informationwith *** tests show that the proposed algorithmeffectively detects bad data,obtains more accurate SE results,and ensures the protection of private information in all microgrids.

关键词： Distributed optimization alternating direction of multiplier methods(ADMM) robust state estimation(RSE) mixed-integer nonlinear programming(MINLP) networked microgrid(NMG)

Distributed dynamic task allocation for unmanned aerial vehicle swarm systems:A networked evolutionary game-theoretic approach

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Chinese Journal of Aeronautics 2024年第6期37卷 182-204页

作者： Zhe zhang ju JIANG Haiyan XU Wen-An zhang College of Automation Engineering Nanjing University of Aeronautics and AstronauticsNanjing 211106China College of Economics and Management Nanjing University of Aeronautics and AstronauticsNanjing 211106China College of Information Engineering Zhejiang University of TechnologyHangzhou 310023China

Task allocation is a key aspect of Unmanned Aerial Vehicle(UAV)swarm collaborative *** an continuous increase of UAVs’scale and the complexity and uncertainty of tasks,existing methods have poor performance in computing efficiency,robustness,and realtime allocation,and there is a lack of theoretical analysis on the convergence and optimality of the *** paper presents a novel intelligent framework for distributed decision-making based on the evolutionary game theory to address task allocation for a UAV swarm system in uncertain scenarios.A task allocation model is designed with the local utility of an individual and the global utility of the ***,the paper analytically derives a potential function in the networked evolutionary potential game and proves that the optimal solution of the task allocation problem is a pure strategy Nash equilibrium of a finite strategy ***,a PayOff-based Time-Variant Log-linear Learning Algorithm(POTVLLA)is proposed,which includes a novel learning strategy based on payoffs for an individual and a time-dependent Boltzmann *** former aims to reduce the system’s computational burden and enhance the individual’s effectiveness,while the latter can ensure that the POTVLLA converges to the optimal Nash equilibrium with a probability of *** simulation results show that the approach is optimal,robust,scalable,and fast adaptable to environmental changes,even in some realistic situations where some UAVs or tasks are likely to be lost and increased,further validating the effectiveness and superiority of the proposed framework and algorithm.

关键词： Task allocation Unmanned Aerial Vehicles(UAV) Game theory Log-linear learning Distributed optimization algorithm

Proposition of atomic and close-to-atomic scale manufacturing

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Advances in Manufacturing 2024年第1期12卷 1-5页

作者： ju‑Fan zhang Jens Ducree School of Mechanical and Materials Engineering University College DublinDublin 4Ireland School of Physical Sciences Dublin City UniversityDublinIreland

Atomic and close-to-atomic scale manufacturing(ACSM)is the core competence of Manufacturing *** other conceptions or terminologies that only focus on the atomic level precision,ACSM defnes a new realm of manufacturing where quantum mechanics plays the dominant role in the atom/molecule addition,migration and removal,considering the uncertainty principle and the discrete nature of *** ACSM is still in its infant stage,only little has been systematically elaborated at the core proposition of ACSM by now,hence there is a need to understand its concept and *** article elucidates the development of ACSM and clarifes its proposition,which aims to achieve a clearer understanding on ACSM and direct more efective eforts toward this promising area.

关键词： Atomic and close-to-atomic scale manufacturing(ACSM) Atomic Precision Manufacturing Paradigm Manufacturing III