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Docking in metal-organic frameworks

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Docking in metal-organic frameworks

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dc.contributor.author Li, Qiaowei
dc.contributor.author Zhang, Wenyu
dc.contributor.author Miljanić, Ognjen Š.
dc.contributor.author Sue, Chi Hau
dc.contributor.author Zhao, Yanli
dc.contributor.author Liu, Lihua
dc.contributor.author Knobler, Carolyn B.
dc.contributor.author Stoddart, J. Fraser
dc.contributor.author Yaghi, Omar M.
dc.date.accessioned 2011-08-12T06:05:42Z
dc.date.available 2011-08-12T06:05:42Z
dc.date.copyright 2009
dc.date.issued 2011-08-12
dc.identifier.citation Li, Q., Zhang, W., Miljanić, O. Š., Sue, C. H., Zhao, Y. L., Liu, L., et al. (2009). Docking in Metal-Organic Frameworks. Science, 325, 855-859.
dc.identifier.uri http://hdl.handle.net/10220/6961
dc.description.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.
dc.format.extent 6 p.
dc.language.iso en
dc.relation.ispartofseries Science
dc.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.
dc.subject DRNTU::Science::Chemistry::Organic chemistry::Organometallic compounds.
dc.title Docking in metal-organic frameworks
dc.type Journal Article
dc.contributor.school School of Physical and Mathematical Sciences
dc.identifier.doi http://dx.doi.org/10.1126/science.1175441
dc.description.version Accepted version
dc.identifier.rims 159760

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