mirage

Docking in metal-organic frameworks

DSpace/Manakin Repository

 

Search DR-NTU


Advanced Search Subject Search

Browse

My Account

Docking in metal-organic frameworks

Show full item record

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

Files in this item

Files Size Format View
Docking in Metal-Organic Frameworks.pdf 920.1Kb PDF View/Open
   

DOI Query

- Get published version (via Digital Object Identifier)
   

This item appears in the following Collection(s)

Show full item record

Statistics

Total views

All Items Views
Docking in metal-organic frameworks 806

Total downloads

All Bitstreams Views
Docking in Metal-Organic Frameworks.pdf 664
2009-855.pdf 10

Top country downloads

Country Code Views
Singapore 283
United States of America 121
China 107
India 21
Germany 15

Top city downloads

city Views
Singapore 282
Mountain View 60
Beijing 56
Tokyo 8
Changchun 6

Downloads / month

  2014-05 2014-06 2014-07 total
Docking in Metal-Organic Frameworks.pdf 0 0 22 22