查询词典 electrostatic bond

By density functional theory B3LYP method with 6-31G basis set, the geometry and electronic structure of the natural inhibitor and derivatives of Adenylosuccinate synthetase were optimized and their thermodynamic stability was also analyzed. The relationship between their electronic structures and bioactivities were discussed based on the Mulliken bond order, atomic net charge distribution and molecular surface electrostatic potential.

利用密度泛函B3LYP方法选择6-31G基组对腺苷酸琥珀酸合成酶天然抑制剂及其衍生物的结构进行优化，并对其稳定性进行了分析，同时采用Mulliken键序、原子电荷分布、表观静电势等对AdSS抑制剂及其衍生物电子结构与其生物活性相关性进行了理论研究。

The results show that the intercalation of P has less effect on the layered structure of bir-MnO2. P is adsorbed on surface of bir-MnO2 via the hydrogen bond and electrostatic action.

结果表明，P的引入，对复合材料中bir-MnO2的层状结构破坏较小，P通过氢键和静电作用吸附在bir-MnO2的表面。

The electrostatic interaction, hydrogen bond and cooperative effect of the eightmembered ring were formed simultaneously.

此时吸附剂与内毒素之间存在静电、氢键、疏水相互作用和八元环的协同作用。

Based on the models, we elucidated the distribution of the stericfield, the hydrophobic field, the electrostatic field, the hydrogen bond acceptor andhydrogen bond donor, which contribute to the activity.

通过对CoMFA和CoMSIA模型的分析，确定了抑制剂上对活性有利的立体大基团、疏水性结构、电性基团以及氢键供受体等在靶酶活性结合部位的空间分布情况。

As a result, electrostatic interactions and hydrogen bond were identified to contribute to the affinity interaction, while hydrophobic interaction contributed little. Moreover, the importance of electrostatic interactions and hydrogen bond to the affinity changed with pH value.The effect of rate of mobile phase on the retention of insulin was researched and the dynamic adsorption isotherm was got by analyzing the breakthrough data with Langmuir equation.

通过调节流动相的pH值和离子强度，并使用尿素和乙二醇分别对吸附蛋白进行洗脱，详细研究了吸附效果最好的目标蛋白质与肽配基之间的亲和吸附机理，发现静电作用和氢键是二者之间产生亲和吸附的主要作用力，而疏水相互作用对该亲和几乎没有贡献。

The interaction of DAB and RB with SPM and the cells are exothermal and idiopathic, which contained the union of non-covalent bonds, such as electrostatic bond, hydrogen bond and van der Waals force. Moreover, most of DAB and RB were accumulated on the excellular membrane and walls, to hardly enter the cytoplasm.

结果表明， DAB， RB与SPM和细胞外膜有强烈的单分子层化学吸附，是自发的放热反应，主要通过电荷对吸引、氢键等非共价键结合在SPM和细胞外表面，且绝大部分DAB， RB积累、滞留在细胞膜壁上。

Demonstrated by adsorptive capacity and adsorptive energy, polyacrylamides have strong interaction on mineral surface with similar action mode to that of starches, for example, hydrolyzed polyacrylamide and hydroxamic acid polyacrylamide mainly by chemical force, cationic polyacrylamide by electrostatic force and hydrogen bond, nonionic polyacrylamide by hydrogen bond, while amphoteric polyacrylamide embodying both the characters of anionic and cationic one.

聚丙烯酰胺类化合物在矿物表面的吸附能以及吸附量均显示出药剂与矿物间存在的强作用，作用方式与淀粉类药剂相似：阴离子聚丙烯酰胺、羟肟酸聚丙烯酰胺主要靠化学作用，阳离子聚丙烯酰胺借助静电力和氢键，非离子型的聚丙烯酰胺则主要是氢键作用，两性聚丙烯酰胺同时具有阴离子和阳离子聚丙烯酰胺药剂的作用特点。

Each starch reagent has its own mode of action on mineral surface, such as primary starch mainly by hydrogen bond, cationic starch by the co-action of hydrogen bond and electrostatic force (for minerals with negative charge on its surface), while carboxymethyl starch, hydroxamic acid starch and dialdehyde starch principally by chemical force accompanied with hydrogen bond and electrostatic force in part. Such chemical forces ensure the close adsorption of reagent on diaspore surface and enforces the hydrophilic of mineral surface. Also the branched chain enable the starch to cover the collector adsorbed on mineral surface, so as to depress diaspore furthermore.

不同淀粉药剂在矿物表面表现不同作用，原淀粉主要是氢键的作用，阳离子淀粉是氢键和静电力的共同作用，羧甲基淀粉、羟肟酸淀粉和双醛淀粉离子性药剂与矿物间的作用除了氢键、静电力外，更重要的是与矿物表面金属离子间产生的化学作用，使药剂能牢固地吸附在一水硬铝石矿物表面，增加矿物表面的亲水性，同时，淀粉支链结构的存在，使它能够掩盖吸附的捕收剂，达到抑制一水硬铝石的目的。

In addition, it is intriguing that there is an excellent correlation between the electrostatic energy and ellipticity at the bond critical point of the aromatic π systems, which would be helpful to further understand the electrostatic interaction in the cation-π complexes.

另外，静电能和芳香π体系的键临界点上的电荷密度之间存在着很好的正相关性，这有助于进一步深刻理解阳离子－π体系中的静电相互作用。

The results show that methyl group strengthens the electrostatic attractions, but reduces the H-bonds effect, while benzyl group can make both electrostatic and H-bond effects strong. The theoretical results are identical with the results of the collectors flotation tests. Collecting ability of the quaternary amine salts is better than that of dodecylamine and dodecyl bimethyl amine. The quaternary amine salt containing benzyl group performs best, and it is little affected by pH value. Substitution of N-containing polar group in amine collectors can impact the aluminosulicate minerals flotation.

研究结果表明：甲基的取代可增强阳离子的静电作用能力，同时，削弱它与矿物表面之间的氢键作用；苄基的取代不仅增强药剂的静电效应，而且增加氢键的结合能力；理论分析结果与浮选试验结果一致，季铵盐的浮选能力较伯胺与叔胺的强，连有苄基的季铵盐对铝硅酸盐矿物的捕收能力最强，且受pH值影响小。

This one mode pays close attention to network credence foundation of the businessman very much.

这一模式非常关注商人的网络信用基础。

Cell morphology of bacterial ghost of Pasteurella multocida was observed by scanning electron microscopy and inactivation ratio was estimated by CFU analysi.

扫描电镜观察多杀性巴氏杆菌细菌幽灵和菌落形成单位评价遗传灭活率。