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排序方式: 共有576条查询结果,搜索用时 15 毫秒
1.
Li Jun Zheng Dayong Wei Ning Sun Yunfeng Liu Li Yuan Yuan Jiang Qinghua 《Chemistry of Natural Compounds》2022,58(4):650-652
Chemistry of Natural Compounds - A new quassinoid, dehydrobruceantinol B (1), was isolated from the seeds of Brucea javanica, together with two known compounds, bruceantinol (2) and bruceine A (3).... 相似文献
2.
Hu Y Houk KN Kikuchi K Hotta K Hilvert D 《Journal of the American Chemical Society》2004,126(26):8197-8205
The mechanisms by which solvents, antibodies, and albumins influence the rates of base-catalyzed reactions of benzisoxazoles have been explored theoretically. New experimental data on substituent effects and rates of reactions in several solvents, in an antibody, and in an albumin are reported. Quantum mechanical calculations were carried out for the reactions in water and acetonitrile, and docking of the transition state into a homology model of antibody 34E4 and an X-ray structure of human serum albumin was accomplished. A microenvironment made up of catalytic polar groups (glutamate in antibody 34E4 and lysine in human serum albumin) surrounded by relatively nonpolar groups is present in both catalytic proteins. 相似文献
3.
用套索冠醚N,N′-双(2-甲基吡啶)-二氮杂-18-冠-6作为固定相,涂渍在弹性石英毛细管内,测其柱效、惰性、热稳定性、平均极性及选择性等性质.其结构由元素分析、红外光谱、核磁共振及质谱分析的试验数据所证实.试验表明,它具有良好的色谱性能、中等极性,适用于对醇、卤代烃、芳香烃等各类异构体的分离,并用分子结构观点探讨了保留机理. 相似文献
4.
Ujaque G Tantillo DJ Hu Y Houk KN Hotta K Hilvert D 《Journal of computational chemistry》2003,24(1):98-110
Antibody 21D8 catalyzes the decarboxylation of 5-nitro-3-carboxybenzisoxazole. The hapten used was designed to induce an antibody binding site with anion binders for the carboxylate, plus a nonpolar environment to accelerate decarboxylation. A recent X-ray crystal structure of 21D8 has shown that the binding pocket contains an array of both polar and charged residues. Nevertheless, 21D8 is able to catalyze a reaction that involves a decrease in polarity from reactant to transition state. The origins of this phenomenon were explored using various computational strategies-quantum mechanics, theozyme models, docking, molecular dynamics, free energy perturbation, and linear interaction energy-the combination of which has produced a consistent picture of catalysis. By partially desolvating the charged carboxylate, 21D8 manages to effect "catalysis on the coastline," without burying the carboxylate in a nonpolar region of the binding pocket. The results have implications for that broad class of enzyme and antibody catalyzed reactions that involve the conversion of a substrate with a relatively localized charge into a transition state with a highly dispersed charge. 相似文献
5.
Huifang Xu Wei Wei Chengliang Zhang Shujiang Ding Xiaozhong Qu Dr. Jiguang Liu Dr. Yunfeng Lu Prof. Zhenzhong Yang Prof. 《化学:亚洲杂志》2007,2(7):828-836
This report presents a facile approach for the low‐temperature synthesis of crystalline inorganic‐oxide composite hollow spheres by employing the bulk controlled synthesis of inorganic‐oxide nanocrystals with polymer spheres as templates. The sulfonated polystyrene gel layer can adsorb the target precursor and induce inorganic nanocrystals to grow on the template in situ. The crystalline phase and morphology of the composite shell is tunable. By simply adjusting the acidity of the titania sol, crystalline titania composite hollow spheres with tunable crystalline phases of anatase, rutile, or a mixture of both were achieved. The approach is general and has been extended to synthesize the representative perovskite oxide (barium and strontium titanate) composite hollow spheres. The traditional thermal treatment for crystallite transformation is not required, thus intact shells can be guaranteed. The combination of oxide properties such as high refractive index, high dielectric constant, and catalytic ability with the cavity of the hollow spheres is promising for applications such as opacifiers, photonic crystals, high‐κ‐gate dielectrics, and photocatalysis. 相似文献
6.
Fine particle superacidic sulfated zirconia (SO42−/ZrO2, S-ZrO2) was synthesized by ameliorated method, and composite membranes with different S-ZrO2 contents were prepared by a recasting procedure from a suspension of S-ZrO2 powder and Nafion solution. The physico-chemical properties of the membranes were studied by ion exchange capacity (IEC) and liquid water uptake measurements, scanning electron microscopy (SEM) and X-ray diffraction (XRD) analysis, thermogravimetry–mass spectrometry (TG–MS) and Fourier transform infrared (FT-IR) spectroscopy. The results showed that the IEC of composite membrane increased with the content of S-ZrO2, S-ZrO2 was compatible with the Nafion matrix, the incorporation of the S-ZrO2 could increase the crystallinity and also improve the initial degradation temperature of the composite membrane. The performance of single cell was the best when the S-ZrO2 content was 15 wt.%, and achieved 1.35 W/cm2 at 80 °C and 0.99 W/cm2 at 120 °C based on H2/O2 and at a pressure of 2 atm, the performance of the single cell with optimized S-ZrO2 was far more than that of the Nafion at the same condition (e.g. 1.28 W/cm2 at 80 °C, 0.75 W/cm2 at 120 °C). The 15 wt.% S-ZrO2/Nafion composite membrane showed lower fuel cell internal resistance than Nafion membranes at high temperature and low relative humidity (RH). 相似文献
7.
创客是指出于兴趣与爱好把各种创意转变为现实的人,目前创客及创客教育发展迅速,但是出现了过分关注技术、缺乏基础性学科知识融合的趋势.另一方面,STEAM教育是一种通过整合科学、技术、工程和数学领域内容指引教学和学习的途径和方法,但是目前受重视的程度不够.本文建议在STEAM教育中嵌入创客教育,并将陆续介绍相关的案例. 相似文献
8.
中国散裂中子源加速器质子束流加速能量为1.6 GeV,重复频率为25 Hz,撞击固体金属靶产生散射中子,一期工程的打靶束流功率为100 kW。直线加速器的设计束流流强为15 mA,输出能量为81 MeV。射频加速和聚束系统包括一台射频四极场加速器、中能束流传输线的两个聚束器、四节漂移管直线加速器加速腔和直线-环束流传输线的一个散束器,与之相对应,共有8个单元在线运行的射频功率源为其提供所需的射频功率。目前,直线射频功率源系统预研项目已全部完成,各项性能参数均已达到设计指标,当前正处在批产安装调试阶段。151013 相似文献
9.
Lei Sun Tian Du Cheng Wang Prof. Dongling Geng Dr. Lin Li Prof. Yang Han Prof. Yunfeng Deng 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(69):17437-17443
Low-bandgap organic semiconductors have attracted much attention for their multiple applications in optoelectronics. However, the realization of narrow bandgap is challenging particularly for small molecules. Herein, we have synthesized four quinoidal compounds, i. e., QSN3 , QSN4 , QSN5 and QSN6 , with electron rich S,N-heteroacene as the quinoidal core and indandione as the end-groups. The optical bandgap of the quinoidal compounds is systematically decreased with the extension of quinoidal skeleton, while maintaining stable closed-shell ground state. QSN6 absorbs an intense absorption in the first and second near-infrared region in the solid state, and has extremely low optical bandgap of 0.74 eV. Cyclic voltammetry analyses reveal that the lowest unoccupied molecular orbital (LUMO) energy levels of the four quinoidal compounds all lie below −4.1 eV, resulting in good electron-transporting characteristics in organic thin-film transistors. These results demonstrated that the combination of π-extended quinoidal core and end-groups in quinoidal compounds is an effective strategy for the synthesis of low-bandgap small molecules with good stability. 相似文献
10.