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Small modifications of endo-functionalized cavities lead to large changes in molecular interaction in water

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Science China Chemistry 2025年第1期 369-376页

作者： Song-Meng wang Hao Nian Yan-Fang wang Li-Shuo Zheng Yu-tao Zheng yi-Wei Dong Liping Huang Xiaoping wang Wei Jiang Liu-Pan Yang Department of Chemistry Southern University of Science and Technology School of Chemistry and Pharmaceutical Sciences State Key Laboratory for Chemistry and Molecular Engineering of Medicinal ResourcesGuangxi Normal University School of Pharmaceutical Science Hengyang Medical School University of South China

Studying molecular recognition in aqueous environments is crucial for understanding biological processes. Herein, we present a series of N-doped endo-functionalized anthracene-based cavities by introducing inward-directed pyridine units. The subtle modifications can significantly affect the binding properties of these receptors, which is similar to the mutations in biological systems. Combining theoretical calculations and molecular recognition experiments demonstrated that these “mutations” have an impact on the hydrophobicity and charge distribution of the hosts, consequently significantly influencing molecular *** is crucial for understanding the intricate mechanisms of molecular-level interactions in biological receptors.

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电力系统最近负荷边界的计算方法

电力系统及其自动化学报 2016年第12期28卷 38-41页

作者：衣涛王承民谢宁上海交通大学电子信息与电气工程学院上海200240

确定电力系统最近的负荷边界点对研究系统的静态稳定有着重要的意义。本文以节点电压和支路电流为状态变量的混合电力网络方程为研究基础,建立了代表系统稳定边界的特征方程,明确了在电压静态稳定临界圆上的边界条件。通过几何分析找到... 详细信息

确定电力系统最近的负荷边界点对研究系统的静态稳定有着重要的意义。本文以节点电压和支路电流为状态变量的混合电力网络方程为研究基础,建立了代表系统稳定边界的特征方程,明确了在电压静态稳定临界圆上的边界条件。通过几何分析找到负荷点与对应的稳定边界的最近距离方程,建立了最小负荷边界的附加方程形成求解方程组,方程组采用牛顿迭代算法求解,为了避免在负荷边界附近雅可比矩阵奇异,算法采用了对雅可比矩阵中临界点替代的方法进行计算。仿真计算结果表明,该方法是正确的和有效的。

关键词：负荷边界特征方程潮流计算电力系统雅可比矩阵

Complete Chloroplast Genome Sequences of Poisonous and Medicinal Plant Datura stramonium:organizations and implications for genetic engineering

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Complete Chloroplast Genome Sequences of Poisonous and Medic...

第十四届全国中药和天然药物学术研讨会

作者： Yuan-ye Dang Yang Yang Qing Li Jin-jian Lu Xi-wen Li yi-tao wang University of Macau Second Military Medical University China Academy of Chinese Medical Sciences

＜正＞Datura stramonium is a widely used poisonous plant with great medicinal and economic *** here analyzed and characterized the chioroplast（cp）genome of ***,providing the basic genetic information for cp *** of t...

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Platycodin D induces apoptosis,and inhibits migration,invasion and adhesionin human hepatoma HepG2 cells

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Platycodin D induces apoptosis,and inhibits migration,invasi...

2013医学前沿论坛暨第十三届全国肿瘤药理与化疗学术会议

作者： Ting Li Wen-Shan Xu Guo-Sheng Wu Xiu-Ping Chen yi-tao wang Jin-Jian Lu State Key Laboratory of Quality Research in Chinese Medicine Institute of Chinese Medical SciencesUniversity of Macau College of Life Sciences Zhejiang Chinese Medical University

Objective Platycodin D(PD),a triterpenoid saponin isolated from the root of Platycodon grandiflorum ***,possesses anti-cancer effects in varieties of cancer cell *** study aims to study the anti-cancer activities of PD on human hepatoma cells. Methods MTT assay and clone formation assay were performed to evaluate the cell proliferation. Flow cytometry was used to detect *** assay was employed to investigate the cell

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Spin-modulated near-infrared-Ⅰ emission in a xanthene-decorated Fe(Ⅱ) spin-crossover complex

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Science China Chemistry 2025年

作者： Cheng yi Duyong Chen Shihui Zhang Rui Cai Chunying Duan yinshan Meng tao Liu State Key Laboratory of Fine Chemicals Frontier Science Center for Smart Materials and Chemical Engineering School of Chemical Engineering Dalian University of Technology Instrumental Analysis Center Dalian University of Technology School of Chemistry Dalian University of Technology Liaoning Binhai Laboratory

Molecular materials showing synergetic coupling of near-infrared （NIR） fluorescence and spin-crossover （SCO） are promisingly applicable in in-vivo bioimaging,temperature sensing,and spintronic *** the related study faces formidable *** this work we graft the NIR fluorophore xanthene onto the dipyridyl substituted triazole ligand and construct a new Febased SCO material,{FeⅡ（ddxc-abpt）2[N（CN）2]2}(1,ddxc-abpt:（E）-4-(((3,5-di（pyridin-2-yl）-4H-1,2,4-triazol-4-yl)imino)methyl)-N,N-diethyl-2,3-dihydro-1H-xanthen-6-amine).Magnetic studies indicate that compound 1 exhibits thermally induced SCO property in both the solid and solution ***-temperature fluorescence emission spectra reveal a remarkable 7-fold increase in photoluminescence intensity upon the transition from the low-spin state at 110 K to the high-spin state at 280 K,which is the record of all reported coupled fluorescence-SCO ***-temperature ultraviolet-visible （UV-Vis）absorption spectra show a significant change in absorption intensity within the fluorescence emission window,consistent with the F?rster resonance energy transfer （FRET） ***-dependent density functional theory （TD-DFT） calculations demonstrate that the strong coupling is attributed to disrupted energy transfer between the xanthene fluorophore and high-spin *** work provides a feasible approach for expanding the synergetic SCO-fluorescence materials to the NIR-Iwavelength region,and hopefully contributes to the applications of tunable NIR-SCO molecule-based sensors and devices.

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Platycodin D induces autophagy and chloroquine enhances the anticancer potential of playcodin D in hepatocellular carcinoma cells

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Platycodin D induces autophagy and chloroquine enhances the ...

第八届中国肿瘤学术大会暨第十三届海峡两岸肿瘤学术会议

作者： Ting Li Zheng-Hai Tang Wen-Shan Xu Guo-Sheng Wu Xiu-Ping Chen yi-tao wang Jin-Jian Lu University of Macau

＜正＞Objective Platycodin D（PD）,isolated from the Chinese medicinal herb named Platycodonis Radix,is a triterpenoid saponin with well-known anti-tumor *** this study,we aimed to study the effects and mechanisms of ...

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Glycyrrhetinic acid induces a protective autophagy in HepG2 hepatocellular carcinoma cells by activating ERK pathway

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Glycyrrhetinic acid induces a protective autophagy in HepG2 ...

第八届中国肿瘤学术大会暨第十三届海峡两岸肿瘤学术会议

作者： Zheng-Hai Tang Ting Li Wen Sun Lin-Lin Chang Hong Zhu Xiu-Ping Chen yi-tao wang Jin-Jian Lu State Key Laboratory of Quality Research in Chinese Medicine Institute of Chinese Medical Sciences University of Macau Zhejiang Province Key Laboratory of Anti-cancer Drug Research College of Pharmaceutical Sciences Zhejiang University

＜正＞Background Glycyrrhetinic acid（GA）,isolated from the Chinese medicinal herb named Glycyrrhiza,is a triterpenoid saponin with well-known anti-cancer *** this study,we aimed to study the effects and mechanisms o...

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水泥基泡沫形成机理及抑制煤堆自燃试验研究

中国安全生产科学技术 2017年第7期13卷 87-91页

作者：鲁义王涛田兆君庞敏湖南科技大学南方煤矿瓦斯与顶板灾害预防控制安全生产重点实验室湖南湘潭411201 湖南科技大学资源环境与安全工程学院湖南湘潭411201

煤炭开采面临煤自然发火等灾害的严重威胁,在分析现有防灭火技术特征的基础上,制备了1种水泥基泡沫材料。探讨了水泥基泡沫形成机理,包括水基泡沫与浆液扰流混合发泡,表面活性剂增加颗粒疏水性及颗粒稳定泡沫液膜,液膜中水泥、粉煤灰颗... 详细信息

煤炭开采面临煤自然发火等灾害的严重威胁,在分析现有防灭火技术特征的基础上,制备了1种水泥基泡沫材料。探讨了水泥基泡沫形成机理,包括水基泡沫与浆液扰流混合发泡,表面活性剂增加颗粒疏水性及颗粒稳定泡沫液膜,液膜中水泥、粉煤灰颗粒水化反应及促凝剂加速凝结固化。搭建了小型抑制煤堆自燃试验平台,开展了煤堆自燃温升变化及黄泥浆、无机凝胶、阻化泡沫、水泥基泡沫等防灭火介质降温效果试验,结果表明:水泥基泡沫具有向上堆积的能力,能对高温煤颗粒进行覆盖、包裹,并具有较好的热稳定性,总体降温性能最佳;压注后,监测时间0~900 s内,径向距离为0.1,0.2,0.3,0.4,0.5 m处温度分别从376.98,376.00,374.38,372.14,369.27℃下降到21,26,29,35,42℃。

关键词：煤自燃水泥基泡沫形成机理渗流降温

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超有效解的广义高阶最优性条件

山东大学学报（理学版） 2011年第11期46卷 101-104,116页

作者：朱琴徐义红汪涛南昌大学数学系江西南昌330031

在实赋范线性空间中考虑集值优化问题的超有效解。对于一个具体集合通过直接计算求得了它的超有效点集。在没有任何凸性假设下,借助于Henig扩张锥,给出了集值优化问题取得超有效解的广义高阶导数型的必要条件。

关键词：超有效解广义m-阶切导数集值优化