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Title
Japanese:Macromolecular semi-rigid nanocavities for cooperative recognition of specific large molecular shapes 
English:Macromolecular semi-rigid nanocavities for cooperative recognition of specific large molecular shapes. 
Author
Japanese: 今岡享稔, 川名 佑紀, 黒川拓都, 山元公寿.  
English: Takane Imaoka, Yuki Kawana, Takuto Kurokawa, Kimihisa Yamamoto.  
Language English 
Journal/Book name
Japanese:Nature Communications 
English:Nature Communications 
Volume, Number, Page Vol. 4        pp. 2581
Published date Oct. 2013 
Publisher
Japanese: 
English:Nature Publishing Group 
Conference name
Japanese: 
English: 
Conference site
Japanese: 
English: 
Official URL http://www.nature.com/doifinder/10.1038/ncomms3581
 
DOI https://doi.org/10.1038/ncomms3581
Abstract Molecular shape recognition for larger guest molecules (typically over 1窶穎m) is a difficult task because it requires cooperativity within a wide three-dimensional nanospace coincidentally probing every molecular aspect (size, outline shape, flexibility and specific groups). Although the intelligent functions of proteins have fascinated many researchers, the reproduction by artificial molecules remains a significant challenge. Here we report the construction of large, well-defined cavities in macromolecular hosts. Through the use of semi-rigid dendritic phenylazomethine backbones, even subtle differences in the shapes of large guest molecules (up to ~2窶穎m) may be discriminated by the cooperative mechanism. A conformationally fixed complex with the best-fitting guest is supported by a three-dimensional model based on a molecular simulation. Interestingly, the simulated cavity structure also predicts catalytic selectivity by a ruthenium porphyrin centre, demonstrating the high shape persistence and wide applicability of the cavity.

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