Lipid bilayer environments control exchange kinetics of deep cavitand hosts and enhance disfavored guest conformations†,Chemical Science

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Lipid bilayer environments control exchange kinetics of deep cavitand hosts and enhance disfavored guest conformations†
Chemical Science ( IF 7.6 ) Pub Date : 2018-01-11 00:00:00 , DOI: 10.1039/c7sc05155g
Lizeth Perez ₁ , Bethany G Caulkins ₁ , Magi Mettry ₁ , Leonard J Mueller ₁ , Richard J Hooley ₁

Affiliation

The effects on the molecular recognition properties of water-soluble deep cavitand hosts upon embedding them in phosphocholine lipid bilayer environments have been studied by 2D NMR experiments. By employing suitable guests containing ¹⁹F or ¹³C nuclei that can be encapsulated inside the host, 2D EXSY NMR experiments can be used to analyze and compare the in/out guest exchange rates in aqueous solution, isotropically tumbling micelles, or magnetically ordered bicelles. These analyses show that embedding the deep cavitands in lipid bilayers slows the guest exchange rate, due to the lipids acting as a “compression sleeve” around the host, restricting guest egress. This effect also enhances guest conformations in the host that are not observed in free solution, such as axial cyclohexane conformers and ketone hydrates.

中文翻译：

脂质双层环境控制深空腔宿主的交换动力学并增强不利的客体构象†

通过二维核磁共振实验研究了将水溶性深空穴宿主嵌入磷酸胆碱脂质双层环境中对其分子识别特性的影响。通过使用含有可封装在主体内的¹⁹ F 或¹³ C 核的合适客体，2D EXSY NMR 实验可用于分析和比较水溶液、各向同性翻滚胶束或磁有序双胶束中的进/出客体交换率。这些分析表明，将深空配体嵌入脂质双层中会减慢客体交换速率，因为脂质充当宿主周围的“压缩套”，限制客体流出。这种效应还增强了主体中在游离溶液中未观察到的客体构象，例如轴向环己烷构象和酮水合物。

更新日期：2018-01-11

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