化学
非对映体
手性(物理)
对映体
立体化学
结晶学
笼子
元动力学
四面体
金属
配体(生物化学)
计算化学
有机化学
分子动力学
受体
量子力学
组合数学
物理
生物化学
手征对称破缺
数学
Nambu–Jona Lasinio模型
夸克
作者
Weichao Xue,Luca Pesce,Adinarayana Bellamkonda,Tanya K. Ronson,Wu Kai,Dawei Zhang,Nicolas Vanthuyne,Thierry Brotin,Alexandre Martinez,Giovanni M. Pavan,Jonathan R. Nitschke
摘要
A tetrahedral FeII4L4 cage assembled from the coordination of triangular chiral, face-capping ligands to iron(II). This cage exists as two diastereomers in solution, which differ in the stereochemistry of their metal vertices, but share the same point chirality of the ligand. The equilibrium between these cage diastereomers was subtly perturbed by guest binding. This perturbation from equilibrium correlated with the size and shape fit of the guest within the host; insight as to the interplay between stereochemistry and fit was provided by atomistic well-tempered metadynamics simulations. The understanding thus gained as to the stereochemical impact on guest binding enabled the design of a straightforward process for the resolution of the enantiomers of a racemic guest.
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