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人工智能辅助含能分子设计的应用与展望

含能材料 2024年第4期32卷 408-421页

作者：刘锐刘建唐岳川张朝阳黄静黄鑫中国工程物理研究院化工材料研究所四川绵阳621999 西南石油大学化学化工学院四川成都610500

含能分子研发面临多重挑战,传统“试错法”效率低下,计算机辅助分子设计的出现改变了研发模式。本综述回顾了含能分子设计的发展历程,介绍了计算机辅助含能分子设计的研究现状,并概述了人工智能技术(AI)在性质预测、分子生成、合成路线... 详细信息

含能分子研发面临多重挑战,传统“试错法”效率低下,计算机辅助分子设计的出现改变了研发模式。本综述回顾了含能分子设计的发展历程,介绍了计算机辅助含能分子设计的研究现状,并概述了人工智能技术(AI)在性质预测、分子生成、合成路线和反应条件预测等多个设计环节的最新进展,讨论了当前含能分子设计模式与其他材料设计方法的差距,思考差距产生的原因,并对未来AI辅助含能分子设计的发展方向提出展望。研究发现,AI在含能分子性能预测和分子生成等方面已经有了应用,但在合成路径规划和反应条件优化等环节的应用仍有待进一步探索,应用前景巨大。通过数据增强、迁移学习或高通量计算有望能够解决含能分子数据薄弱的问题;加强AI辅助含能分子合成路线与反应条件探索有望贯通“设计→评估→制备→验证”全流程自动化分子设计模式。AI辅助含能分子设计为提升含能分子设计水平提供新的可能性,有助提升含能分子研发效率。

关键词：含能分子分子设计人工智能机器学习定量构效关系

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中药治疗溃疡性结肠炎的研究进展

药品评价 2014年第24期11卷 23-23,26-28,31页

作者：徐艳娇黄幼兰吴涛张程亮刘东华中科技大学同济医学院附属同济医院药学部湖北武汉430030

中药是我国治疗结肠性溃疡的特色。作者通过文献调研,总结了常用的构建溃疡性结肠炎(UC)动物模型的方法,以及中药单味药、有效部位或成分和中药复方制剂对治疗溃疡性结肠炎的研究。大量研究结果表明中药治疗溃疡性结肠炎的机理是多方面... 详细信息

中药是我国治疗结肠性溃疡的特色。作者通过文献调研,总结了常用的构建溃疡性结肠炎(UC)动物模型的方法,以及中药单味药、有效部位或成分和中药复方制剂对治疗溃疡性结肠炎的研究。大量研究结果表明中药治疗溃疡性结肠炎的机理是多方面的,对进一步探讨溃疡性结肠炎的发病机制及提高中药疗效,具有重要的意义。

关键词：溃疡性结肠炎动物模型中药

The influence of different types of satisfaction on loyalty on C2C online shopping platform:From the perspective of sellers and the platform

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中国科学技术大学学报 2024年第5期54卷 36-48,I0007页

作者： Yanan Lu Qian huang Yuting Wang School of Management University of Science and Technology of ChinaHefei 230026China SILC Business School Shanghai UniversityShanghai 201800China

With the rise and development of major types of platforms,the competition for resources has become extremely fierce,and the market share of C2C platforms has been seriously threatened by the loss of ***,building and maintaining buyers’satisfaction and loyalty to C2C platforms is critical to the survival and sustainability of C2C platforms in ***,the current knowledge on how platform satisfaction and loyalty are constructed in the C2C e-commerce environment is *** this study,seller-based satisfaction and platform-based satisfaction are constructed *** further distinguish seller-based transaction satisfaction into economic and social satisfaction and explore their antecedents and *** test our research hypotheses,we conduct a survey and collect data from a real online market(Taobao website).The results show that seller-based transaction satisfaction positively affects platform-based overall satisfaction and loyalty,and that perceived product quality,perceived assurance,and perceived price fairness all have a significant effect on economic satisfaction,whereas perceived relationship quality and perceived empathy significantly influence social *** findings help us understand the literature related to customer satisfaction in the context of C2C in China and provide inspiration for online sellers and platforms.

关键词： transaction-specific satisfaction social and economic satisfaction various antecedents of satisfaction overall satisfaction C2C online shopping platform

Advances in Pharmacological Effects of Stevioside

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Journal of Clinical and Nursing Research 2024年第6期8卷 100-104页

作者： Shiqin Fu Yanling huang Yiting Xie Jing Zhang Jiangxi University of Chinese Medicine Nanchang 330004Jiangxi ProvinceChina

Stevioside is a low-calorie high-power sweetener with a variety of positive pharmacological *** the growing attention to health,stevia leaf has garnered widespread interest at home and *** article reviews the main pharmacological effects of stevioside and their mechanisms,in order to provide references for the research on the edible and medicinal value of stevioside.

关键词： Stevioside Pharmacological effect Safety

采用混合策略联合优化的模糊C-均值聚类信息熵点云简化算法

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西安交通大学学报 2024年第7期58卷 214-226页

作者：黄鹤黄佳慧刘国权王会峰高涛长安大学西安市智慧高速公路信息融合与控制重点实验室西安710064 长安大学电子与控制工程学院西安710064 长安大学数据科学与人工智能研究院西安710064

针对传统聚类算法处理点云简化问题时精度低、耗时长且易丢失特征信息等问题,提出了一种基于动态精英自适应混合策略的鹈鹕算法(DEAMPOA)与加权熵法联合优化的模糊C-均值聚类(FCM)信息熵点云简化算法。采用动态自适应种群混合策略,同时... 详细信息

针对传统聚类算法处理点云简化问题时精度低、耗时长且易丢失特征信息等问题,提出了一种基于动态精英自适应混合策略的鹈鹕算法(DEAMPOA)与加权熵法联合优化的模糊C-均值聚类(FCM)信息熵点云简化算法。采用动态自适应种群混合策略,同时融合了精英反向化思路,显著提升了鹈鹕优化算法(POA)的收敛趋势和全局寻优能力,提高了寻找FCM最优聚类中心的成功率;利用DEAMPOA结合加权熵法对FCM进行优化,提高鲁棒性的同时增强了搜索精度,得到较好的聚类结果;在8种UCI标准数据集上与4种算法对比进行聚类性能评估实验,验证了所提方法综合性能优越;将所提方法与信息熵融合,并应用在三维点云KITTI数据集简化中。实验结果表明:与包围框简化法、随机采样简化法和特征选择简化法对比,所提方法全局误差简化前后点集之间平均欧式距离(MED)指标分别降低了2.25%、6.93%、5.74%,点云简化效果最优且运行速度满足要求。

关键词： C-均值聚类鹈鹕优化算法点云简化信息熵

Rapid discovery of two unprecedented meroterpenoids from Daphne altaica *** molecular networking integrated with MolNetEnhancer and Network Annotation Propagation

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Chinese Chemical Letters 2024年第8期35卷 294-298页

作者： Wei-Yu Zhou Zi-Han Xi Ning-Ning Du Li Ye Ming-Hao Jiang Jin-Le Hao Bin Lin Guo-Dong Yao Xiao-Xiao huang Shao-Jiang Song Key Laboratory of Computational Chemistry-Based Natural Antitumor Drug Research&Development Liaoning ProvinceEngineering Research Center of Natural Medicine Active Molecule Research&DevelopmentLiaoning ProvinceKey Laboratory of Natural Bioactive Compounds Discovery&ModificationShenyangSchool of Traditional Chinese Materia Medic1Shenyang Pharmaceutical UniversityShenyang 110016China Key Laboratory of Structure-Based Drug Design and Discovery of Ministry of Education Shenyang Pharmaceutical UniversityShenyang 110016China Wuya College of Innovation Shenyang Pharmaceutical UniversityShenyang 110016China

Under the guidance of the approach which integrates molecular networking,MolNetEnhancer and Net-work Annotation Propagation(NAP),daphnaltaicanoids A and B(1 and 2)with unprecedented 9-oxa-tetracyclo[6.***.1.0^(2,6).0^(8,13)]pentadecane and tetracyclo[5.***.0.1^(2,5).2^(4,11)]tridecane central frameworks were iso-lated from Daphne altaica Pall.,representing two types of unparalleled meroterpenoid *** struc-tures were elucidated by extensive spectroscopic analysis,nuclear magnetic resonance(NMR)calcula-tions,DP4+analysis and electronic circular dichroism(ECD)*** plausible biosynthetic path-ways for 1 and 2 were ***,2 exerted potent neuroprotective activities which were su-perior to trolox at 12.5 and 25μmol/***,1 and 2 exhibited more noticeable acetylcholinesterase inhibitory activities than *** docking simulations were performed to explore the inter-molecular interaction of compounds 1 and 2 with *** bioactivity evaluation results highlight the prospects of 1 and 2 as a novel category of neurological agents.

关键词： Daphne altaica Pall. Molecular networking MolNetEnhancer NAP Unprecedented meroterpenoid frameworks Neuroprotective activities Acetylcholinesterase inhibitors

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我国商品有机肥料质量状况分析与思考

中国土壤与肥料 2024年第8期 251-259页

作者：孟远夺赵英杰黄耀蓉汪洪袁天佑边武英全国农业技术推广服务中心四川省耕地质量与肥料工作总站中国农业科学院农业资源与农业区划研究所河南省土壤肥料站浙江省耕地质量与肥料管理总站

分析我国商品有机肥料质量状况，探讨有机肥料产业发展思路与对策，为加强行业质量监管、促进产业发展提供参考。汇总统计2019—2022年全国595个商品有机肥料主要技术指标、限量指标抽样检测结果，参照《有机肥料》（NY/T 525）标准，... 详细信息

分析我国商品有机肥料质量状况，探讨有机肥料产业发展思路与对策，为加强行业质量监管、促进产业发展提供参考。汇总统计2019—2022年全国595个商品有机肥料主要技术指标、限量指标抽样检测结果，参照《有机肥料》（NY/T 525）标准，分析评价我国商品有机肥料质量状况；结合有机肥料产业现状，对比国内外标准差异，对有机质、总养分、水分、酸碱度（pH）等技术指标，总砷（As）、总汞（Hg）、总铅（Pb）、总镉（Cd）、总铬（Cr）以及粪大肠菌群数、蛔虫卵死亡率等限量指标进行分析研究。结果表明：（1）我国商品有机肥料合格率为84.5%,2019—2022年合格率分别为79.8%、87.8%、83.3%和85.4%，不合格指标主要是有机质的质量分数、重金属含量、pH、总养分的质量分数和水分的质量分数，不合格率分别为7.9%、5.0%、2.9%、2.5%和2.4%，多个指标同时不合格现象较为常见。（2）分年度看，2019年水分的质量分数不合格率为6.5%，其次是有机质的质量分数、总养分的质量分数和p H,2020—2022年有机质的质量分数不合格率均高于其他指标，其次是重金属含量超标。（3）有机质和总养分的质量分数检测结果变异范围均较大，有机质的质量分数平均值为39.1%，合格率为92.1%，年度合格率在91.8%～94.4%之间；总养分的质量分数平均值为8.0%，合格率为97.5%，年度合格率在94.4%～99.3%之间；水分、pH和粪大肠菌群数指标合格率均在97%以上，蛔虫卵死亡率指标没有发现不合格现象。（4）As、Hg、Pb、Cd、Cr超标率分别为1.2%、0.8%、2.4%、1.3%、0.3%,Pb、Cd是主要的安全风险因素，5种重金属元素含量的平均值和中位值均远低于《有机肥料》（NY/T 525）对重金属限量要求。我国商品有机肥料合格率呈稳步提高趋势，有机质、重金属含量等指标需要重点关注和持续监测；有机肥料标准体系不尽完善，产品标准需要进一步优化；我国有机肥料产业发展需要明确定位和发展方向，构建完善标准体系，优化调整产品标准指标设置，强化风险管控和产品质量监管。

关键词：商品有机肥料质量标准对策建议

Contract Mechanism of Water Environment Regulation for Small and Medium Sized Enterprises Based on Optimal Control Theory

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Journal of Water Resource and Protection 2024年第7期16卷 538-556页

作者： Shuang Zhao Hongbin Gu Lianfang Xue Dongsheng Wang Bin huang China Institute of Water Resources and Hydropower Research Beijing China China Renewable Engineering Institute Beijing China School of Environmental Science and Engineering Tianjin University Tianjin China

The small and scattered enterprise pattern in the county economy has formed numerous sporadic pollution sources, hindering the centralized treatment of the water environment, increasing the cost and difficulty of treatment. How enterprises can make reasonable decisions on their water environment behavior based on the external environment and their own factors is of great significance for scientifically and effectively designing water environment regulation mechanisms. Based on optimal control theory, this study investigates the design of contractual mechanisms for water environmental regulation for small and medium-sized enterprises. The enterprise is regarded as an independent economic entity that can adopt optimal control strategies to maximize its own interests. Based on the participation of multiple subjects including the government, enterprises, and the public, an optimal control strategy model for enterprises under contractual water environmental regulation is constructed using optimal control theory, and a method for calculating the amount of unit pollutant penalties is derived. The water pollutant treatment cost data of a paper company is selected to conduct empirical numerical analysis on the model. The results show that the increase in the probability of government regulation and public participation, as well as the decrease in local government protection for enterprises, can achieve the same regulatory effect while reducing the number of administrative penalties per unit. Finally, the implementation process of contractual water environmental regulation for small and medium-sized enterprises is designed.

关键词： Optimal Control Theory Small and Medium-Sized Enterprises Water Environment Regulation Contract Mechanism

Analysis and Research on Aerodynamic Characteristics of Quad Tilt Rotor Aircraft

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Advances in Aerospace Science and Technology 2024年第1期9卷 28-39页

作者： Jike Jia Xiaomei Ye Guoyi He Qingjin huang Zhile Hong Faculty of Flight Engineering Nanchang Hangkong University Nanchang China

For the quad tilt rotor aircraft, a computational fluid dynamics method based on multiple reference frames (MRF) was used to analyze the influence of aerodynamic layout parameters on the aerodynamic characteristics of the quad tilt rotor aircraft. Firstly, a numerical simulation method for the interference flow field of the quad tilt rotor aircraft is established. Based on this method, the aerodynamic characteristics of isolated rotors, rotor combinations at different lateral positions on the wing, and rotor rotation directions under different inflow velocities were calculated and analyzed, in order to grasp their aerodynamic interference laws and provide reference for the design and control theory research of such aircraft.

关键词： Quad Tilt Rotor Aircraft Analysis of Aerodynamic Characteristics CFD Method