Docking in metal-organic frameworks

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Docking in metal-organic frameworks

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Title: Docking in metal-organic frameworks
Author: Li, Qiaowei; Zhang, Wenyu; Miljanić, Ognjen Š.; Sue, Chi Hau; Zhao, Yanli; Liu, Lihua; Knobler, Carolyn B.; Stoddart, J. Fraser; Yaghi, Omar M.
Copyright year: 2009
Abstract: The use of metal-organic frameworks (MOFs) so far has largely relied on nonspecific binding interactions to host small molecular guests. We used long organic struts (~2 nanometers) incorporating 34- and 36-membered macrocyclic polyethers as recognition modules in the construction of several crystalline primitive cubic frameworks that engage in specific binding in a way not observed in passive, open reticulated geometries. MOF-1001 is capable of docking paraquat dication (PQT2+) guests within the macrocycles in a stereoelectronically controlled fashion. This act of specific complexation yields quantitatively the corresponding MOF-1001 pseudorotaxanes, as confirmed by x-ray diffraction and by solid- and solution-state nuclear magnetic resonance spectroscopic studies performed on MOF-1001, its pseudorotaxanes, and their molecular strut precursors. A control experiment involving the attempted inclusion of PQT2+ inside a framework (MOF-177) devoid of polyether struts showed negligible uptake of PQT2+, indicating the importance of the macrocyclic polyether in PQT2+ docking.
Subject: DRNTU::Science::Chemistry::Organic chemistry::Organometallic compounds.
Type: Journal Article
Series/ Journal Title: Science
School: School of Physical and Mathematical Sciences
Rights: © 2009 American Association for the Advancement of Science. This is the author created version of a work that has been peer reviewed and accepted for publication by Science, American Association for the Advancement of Science.  It incorporates referee’s comments but changes resulting from the publishing process, such as copyediting, structural formatting, may not be reflected in this document.  The published version is available at: http://dx.doi.org/10.1126/science.1175441.
Version: Accepted version

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