stacking指的是堆积作用,比如一层层苯环叠在一起 发自小木虫IOS客户端
大概意思就是,形容芳香分子面对面的堆积状态,生物上用来形容DNA碱基配对
最近研究平面芳香化合物的pi-pi stacking相互作用力,发现要计算pi-pi 相互作用力不是很容易,相关文献...
在化学上,pi堆积(pi stacking)(也称为π-π堆积,π–π stacking)是指芳香环之间有吸引力的非共价相互作用,因为它们包含pi键。 这些相互作用对于DNA和RNA分子内的核碱基堆积,蛋白质折叠,模板指导的合成,材料科学和分子识别非常重要,尽管一些研究[1]表明pi堆积在其中某些应用中可能无效。 尽管有强烈的实验和理论兴...
(Malay BanLec), would reduce mitogenicity of the engineered lectin without abolishing antiviral activity. We demonstrate that a single amino acid substitution, F84T, akin to the H84T mutation and predicted to remove the pi–pi stacking interaction, does indeed decrease mitogenicity while preserving...
Aromatic redox compounds can be adsorbed strongly onto GP due to pi-stacking interactions with the graphene sheet [50]. Therefore, the MP/GP nanohybrid electrodes show good storage stability over time. Table 3. The stability of MB/GP modified electrode. 4. Conclusions A simple method was ...
通过独立梯度模型(IGM)考察分子间弱相互作用 http://sobereva.com/407 使用Multiwfn图形化研究弱相互作用...
[reaction: see text] The effects of pi-stacking on the stability of multiply hydrogen-bonded systems are investigated using hybrid DFT calculations on pi-stacked quadruply H-bonded dimers of ureidopyrimidinone in its different tautomeric forms. Both the strengths of the hydrogen bonds and the relati...
The pi-stacking of oxidized thiophene oligomers is investigated using ab-initio quantum chemistry methods. Dimers of singly-charged oligothiophenes are found to be unstable in the gas phase, but can be stabilized as bound dications in the singlet state by a polarizable solvent such as acetonitrile...
请问一下大牛,pi-pi stacking 到底是个什么作用力?是否有利于高分子链相互作用呢?