作者
Radoslav Z Pavlović, Remy F Lalisse, Alexandar L Hansen, Christopher A Waudby, Zhiquan Lei, Murat Güney, Xiuze Wang, Christopher M Hadad, Jovica D Badjić
发表日期
2021/9/1
期刊
Angewandte Chemie International Edition
卷号
60
期号
36
页码范围
19942-19948
简介
Two limiting cases of molecular recognition, induced fit (IF) and conformational selection (CS), play a central role in allosteric regulation of natural systems. The IF paradigm states that a substrate “instructs” the host to change its shape after complexation, while CS asserts that a guest “selects” the optimal fit from an ensemble of preexisting host conformations. With no studies that quantitatively address the interplay of two limiting pathways in abiotic systems, we herein and for the first time describe the way by which twisted capsule M‐1, encompassing two conformers M‐1(+) and M‐1(−), trap CX4 (X=Cl, Br) to give CX4⊂M‐1(+) and CX4⊂M‐1(−), with all four states being in thermal equilibrium. With the assistance of 2D EXSY, we found that CBr4 would, at its lower concentrations, bind M‐1 via a M‐1(+)→M‐1(−)→CBr4⊂M‐1(−) pathway corresponding to conformational selection. For M‐1 complexing CCl4 though …
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RZ Pavlović, RF Lalisse, AL Hansen, CA Waudby, Z Lei… - Angewandte Chemie International Edition, 2021