Szabelski Pawel
Department of Theoretical Chemistry, Maria Curie-Sklodowska University, Pl. M. C. Sklodowskiej 3, 20031 Lublin, Poland.
Chemistry. 2008;14(27):8312-21. doi: 10.1002/chem.200800444.
A rapid development of nanotechnology opens up a way for the fabrication of solid surfaces containing unique adsorption properties. In this article, we present the concept of a chiral nanostructured surface as a potential environment for the separation of chiral molecules. In particular, we focus on the effect of size and shape of the adsorbing molecules on the effectiveness of their separation on a surface with a special distribution of active sites. The Monte Carlo simulation method was used to study enantiospecific adsorption of model chiral molecules that differ in molecular footprint and adsorption energy. It was demonstrated that manipulating the footprint offers many possibilities for tuning the preference of the surface for adsorption of a selected enantiomer. One interesting finding was that subtle differences in the interaction pattern of the molecule with the chiral surface can lead to a reversal of enantioselectivity. The results of this work highlight the role of extended surface chirality in enantiospecific adsorption of enantiomers. They also suggest that the proposed mechanism of chiral selection can be a realistic alternative to those inherent in conventional enantioselective adsorbents.
纳米技术的迅速发展为制造具有独特吸附特性的固体表面开辟了一条道路。在本文中，我们提出了手性纳米结构表面的概念，将其作为分离手性分子的潜在环境。特别地，我们关注吸附分子的尺寸和形状对其在具有特殊活性位点分布的表面上分离效果的影响。采用蒙特卡罗模拟方法研究了分子足迹和吸附能不同的模型手性分子的对映体特异性吸附。结果表明，控制分子足迹为调节表面对选定对映体吸附的偏好提供了多种可能性。一个有趣的发现是，分子与手性表面相互作用模式的细微差异可能导致对映选择性的逆转。这项工作的结果突出了扩展表面手性在对映体对映体特异性吸附中的作用。它们还表明，所提出的手性选择机制可能是传统对映选择性吸附剂固有机制的一种现实替代方案。
