Recognition with metallo cavitands
Recognition with metallo cavitands
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Metallo Cavitands 识别
DOI：
10.1073/pnas.1909154116
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发表时间：
2019-09-03
影响因子：
11.1
通讯作者：
Yu, Yang
中科院分区：
文献类型：
--
作者：
Rahman, Faiz-Ur;Li, Yong-sheng;Yu, Yang
本文描述了金属络合对具有喹诺啉壁的空腔体分子识别行为的影响。喹诺啉类化合物的氮原子位于花瓶状的上边缘附近，用Pd（II）处理得到2:1的金属：空腔和衍生物。通过H-1、C-13 NMR、HR ESI-MS和计算表明，金属桥接相邻的喹诺啉面板并形成具有C-2v对称性的空腔体。制备了水溶性和有机可溶性的化合物，并用H-1 NMR研究了它们与烷烃、醇、酸和二醇（C12）的主/客体配合物。结合行为分析表明，与先前报道的相关空腔体相比，金属固化了接受花瓶构象的壁，增强了疏水甚至水溶性客体的结合。结果表明，Pd（II）的配位减缓了腔体的构象动力学，稳定了宿主的配合物。
We describe here the effects of metal complexation on the molecular recognition behavior of cavitands with quinoxaline walls. The nitrogen atoms of the quinoxalines are near the upper rim of the vase-like shape and treatment with Pd(II) gave 2:1 metal: cavitand derivatives. Characterization by H-1, C-13 NMR spectroscopy, HR ESI-MS, and computations showed that the metals bridged adjacent quinoxaline panels and gave cavitands with C-2v symmetry. Both water-soluble and organic-soluble versions were prepared and their host/guest complexes with alkanes, alcohols, acids, and diols (up to C12) were studied by H-1 NMR spectroscopy. Analysis of the binding behavior indicated that the metals rigidified the walls of the receptive vase conformation and enhanced the binding of hydrophobic and even water-soluble guests, compared to related cavitands reported previously. The results demonstrated that the conformational dynamics of the cavitand were slowed by the coordination of Pd(II) and stabilized the host's complexes.