水和-π 相互作用
Yujie Zhu1, Minmin Tang1, Huibin Zhang1
1Center for Supramolecular Chemistry & Catalysis and Department of Chemistry, College of Science, Shanghai University, 99 Shang-Da Road, Shanghai 200444, China.
Journal of the American Chemical Society
|July 30, 2021
概括
在水中,合成容器与未充电的三甲基比充电的三甲基结合得更强. 这突显了溶解对生物识别中的-π相互作用的重大影响.
科学领域:
- 超分子化学
- 物理化学
- 生物物理化学
背景情况:
- 阴离子-π 相互作用和疏水效应是生物系统中分子识别的关键分子间力量.
- 了解这些力量是设计模仿生物功能的合成系统的关键.
- 之前的研究已经探讨了这些相互作用,但在水环境中直接比较是有限的.
研究的目的:
- 直接比较子-π相互作用的相对结合强度和水效应.
- 研究溶解在调节-π相互作用强度中的作用.
- 量化合成容器主机对不同客户群的约束性偏好.
主要方法:
- 使用具有竞争性三甲基 () 和三甲基 (疏水) 组的分子""客.
- 使用合成容器主机与芳香的内部表面来绑定客人.
- 研究水溶液中的结合,以评估溶解效应的影响.
主要成果:
- 合成容器始终表现出对未充电的三甲基团的结合偏好,而不是对阴离子三甲基团的结合.
- 发现极性三甲基组在水中的溶解是主要因素,超过了-π吸引力.
- 在这些腔体复合物中,与三甲基结合的作用比阴离子-π 相互作用更为有利.
结论:
- 与疏水性相互作用相比,水中的溶解效应显著降低了-π相互作用的强度.
- 合成容器复合物为量化测量不同分子间力量的相对贡献提供了有价值的平台.
- 这些发现为生物系统中的分子识别机制提供了洞察力,强调了考虑溶剂效应的重要性.
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