Dual Binding Modes of a Small Cavitand
Dual Binding Modes of a Small Cavitand
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DOI：
10.1080/10610278.2021.1987433
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发表时间：
2021-10-10
影响因子：
3.3
通讯作者：
Gibb，Bruce C.
中科院分区：
文献类型：
--
作者：
Aziz，Hannah R.;Yao，Wei;Gibb，Bruce C.
水的小尺寸和高凝聚力意味着水介导的相互作用强烈依赖于环境。因此，关于非极性溶质和离子如何与自身或彼此相互作用，还有很多东西需要学习。为了帮助解决这个问题，我们在这里报告一个空腔和主机，TMAX-Cl(2)。TMAX-Cl(2)具有两个不同的结合位点，一个与疏水分子结合的浅非极性碟状结构和一个与阴离子结合的铵冠状结构，为研究疏水和霍夫迈斯特效应提供了新的视角。我们发现与非极性位点的结合很弱，这表明需要更大的表面积才能进行实质性的结合。相比之下，尽管水的介电性很高，但与氨的结合力相对较强。这些发现提供了对水介导的相互作用的更好理解，并为我们继续研究这种宿主和相关的水溶性空腔体提供了定义TMAX-Cl 2的超分子性质。
The small size and high cohesiveness of water means that water-mediated interactions are strongly context dependent.As a result, there is still much to learn about how non-polar solutes and ions interact with themselves or each other.To help address this issue, we report here on a cavitand host, TMAX-Cl (2). Possessing two different binding sites, a shallow non-polar dish that binds hydrophobes, and a crown of ammoniums that bind anions, TMAX-Cl (2) provides insight into the hydrophobic and Hofmeister effects.We find that binding to the non-polar site is weak, suggesting that a larger surface area is needed for substantial binding.In contrast, binding to the crown of ammoniums is relatively strong, despite the high dielectric of water.These findings provide a better understanding of water-mediated interactions, and define the supramolecular properties of TMAX-Cl 2 as we continue our studies of this host and related water-soluble cavitands.