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首页> 外文期刊>Chemistry: A European journal >Molecular description of the propagation of chirality from molecules to complex systems: Different mechanisms controlled by hydrophobic interactions
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Molecular description of the propagation of chirality from molecules to complex systems: Different mechanisms controlled by hydrophobic interactions

机译：手性从分子传播到复杂系统的分子描述：疏水相互作用控制的不同机理

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摘要

In this work a combined theoretical and experimental approach was used to elucidate and describe at the molecular level the basic interactions that drive the transfer of the chiral information from chiral surfactant molecules to dye/surfactant assemblies. It was found that both hydrophobic interactions and relative concentrations strongly influence the chiroptical features of the heteroaggregates. In particular it was observed that, depending on the length of the surfactant hydrophobic chain, the chiral information is transferred to the dye by stabilizing an enantiomer either of a chiral conformer or of a chiral topological arrangement. These findings underline the role of hydrophobic interactions in the transfer of chirality and provide an example of the potential of inilico simulations for providing an accurate description of the process of chirality propagation. The long and the short of it: The interactions that drive the transfer of chirality from chiral surfactant molecules to dye/surfactant assemblies were investigated by experiment and theory. Surfactants with a small hydrophobic moiety localize in between dye molecules, thereby stabilizing one enantiomer of a dye conformer. In contrast, surfactants with a large hydrophobic moiety assemble around the helix formed by dye molecules, thus preferentially stabilizing one particular helical handedness.
机译：在这项工作中，采用了理论和实验相结合的方法来阐明和描述分子水平上的基本相互作用，这些相互作用促使手性信息从手性表面活性剂分子转移到染料/表面活性剂组合物中。发现疏水相互作用和相对浓度都强烈影响杂聚集体的手性特征。特别是观察到，根据表面活性剂疏水链的长度，通过稳定手性构象异构体或手性拓扑结构的对映异构体，将手性信息转移到染料上。这些发现强调了疏水性相互作用在手性转移中的作用，并提供了潜在的inilico模拟实例，以提供对手性传播过程的准确描述。它的长短：通过实验和理论研究了驱动手性从手性表面活性剂分子转移到染料/表面活性剂组合的相互作用。具有小的疏水部分的表面活性剂位于染料分子之间，从而稳定染料构象异构体的一种对映异构体。相反，具有大的疏水性部分的表面活性剂在由染料分子形成的螺旋周围聚集，因此优先稳定一种特定的螺旋手性。

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