Mechanism of the fast exchange between bound and free guests in cucurbit[7]uril-guest systems.

Mechanism of the fast exchange between bound and free guests in cucurbit[7]uril-guest systems.
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DOI：
10.1039/c0cp02349c
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发表时间：
2011-02
期刊：
Physical chemistry chemical physics : PCCP
影响因子：
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通讯作者：
Ji-sheng Yu;Fulin Wu;Le-Fu Tao;Jun-jie Luo;Zhi‐Wu Yu
Ji-sheng Yu;Fulin Wu;Le-Fu Tao;Jun-jie Luo;Zhi‐Wu Yu
中科院分区：
其他
文献类型：
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作者：
Ji-sheng Yu;Fulin Wu;Le-Fu Tao;Jun-jie Luo;Zhi‐Wu Yu

文献摘要

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The fast exchange is found to be due to the mismatch between the hydrophobic interaction inside the CB[7] cavity and the ion-dipole/hydrogen-bonding interactions in the port region of the CB[7]. This mismatch also induces the multi-step separation process between guest and CB[7] molecules, as elucidated by molecular dynamics simulation.