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Docking in Metal-Organic Frameworks
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 (approximately 2 nanometers) incorporating 34- and 36-membered macrocyclic polyethers as recognition modules in the construction of sev...
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Published in: | Science (American Association for the Advancement of Science) 2009-08, Vol.325 (5942), p.855-859 |
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container_title | Science (American Association for the Advancement of Science) |
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creator | Li, Qiaowei Zhang, Wenyu Miljanić, Ognjen Š Sue, Chi-Hau Zhao, Yan-Li Liu, Lihua Knobler, Carolyn B Stoddart, J. Fraser Yaghi, Omar M |
description | 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 (approximately 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. |
doi_str_mv | 10.1126/science.1175441 |
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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. 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Fraser</creatorcontrib><creatorcontrib>Yaghi, Omar M</creatorcontrib><title>Docking in Metal-Organic Frameworks</title><title>Science (American Association for the Advancement of Science)</title><addtitle>Science</addtitle><description>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 (approximately 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. 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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.</description><subject>Applied sciences</subject><subject>Atoms</subject><subject>Chemical bonds</subject><subject>Chemical compounds</subject><subject>Crown ethers</subject><subject>Crystal structure</subject><subject>Crystallography</subject><subject>Crystals</subject><subject>Cubic crystals</subject><subject>Exact sciences and technology</subject><subject>Molecules</subject><subject>Nuclear magnetic resonance</subject><subject>Organic polymers</subject><subject>Physicochemistry of polymers</subject><subject>Properties and characterization</subject><subject>Rotaxanes</subject><subject>Structure, morphology and analysis</subject><subject>Topology</subject><subject>X ray diffraction</subject><issn>0036-8075</issn><issn>1095-9203</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2009</creationdate><recordtype>article</recordtype><recordid>eNqFkE1P4zAQhq3VoqV8nPe0uxUIboEZjz_iIyqfEogDcLYc16lS0gTsVoh_j6tGIO2Fk2W9z7yjeRj7jXCCyNVp8k3ofMgfLYXAH2yEYGRhONBPNgIgVZSg5TbbSWkOkDNDv9g2GqVNCWbEDs97_9x0s3HTje_C0rXFfZy5rvHjy-gW4a2Pz2mPbdWuTWF_eHfZ4-XF4-S6uL2_upmc3RZeKrUsSqGcEVMDVJYlUuB1LWUlEch4LoUSoGtZkeKepljVeqoguMoEJwNChbTLjje1L7F_XYW0tIsm-dC2rgv9KlmlZUmI5bcgCU2SOGXw4D9w3q9il2-wHEkaIfl67ekG8rFPKYbavsRm4eK7RbBryXaQbAfJeeLvULuqFmH6xQ9WM3A0AC5519bRdb5JnxzPNwiu19yfDTdPyz5-5ZDXEMqc_9vkteutm8Xc8fTAAQlQqaxD0we7EZVX</recordid><startdate>20090814</startdate><enddate>20090814</enddate><creator>Li, Qiaowei</creator><creator>Zhang, Wenyu</creator><creator>Miljanić, Ognjen Š</creator><creator>Sue, Chi-Hau</creator><creator>Zhao, Yan-Li</creator><creator>Liu, Lihua</creator><creator>Knobler, Carolyn B</creator><creator>Stoddart, J. Fraser</creator><creator>Yaghi, Omar M</creator><general>American Association for the Advancement of Science</general><general>The American Association for the Advancement of Science</general><scope>FBQ</scope><scope>IQODW</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7QF</scope><scope>7QG</scope><scope>7QL</scope><scope>7QP</scope><scope>7QQ</scope><scope>7QR</scope><scope>7SC</scope><scope>7SE</scope><scope>7SN</scope><scope>7SP</scope><scope>7SR</scope><scope>7SS</scope><scope>7T7</scope><scope>7TA</scope><scope>7TB</scope><scope>7TK</scope><scope>7TM</scope><scope>7U5</scope><scope>7U9</scope><scope>8BQ</scope><scope>8FD</scope><scope>C1K</scope><scope>F28</scope><scope>FR3</scope><scope>H8D</scope><scope>H8G</scope><scope>H94</scope><scope>JG9</scope><scope>JQ2</scope><scope>K9.</scope><scope>KR7</scope><scope>L7M</scope><scope>L~C</scope><scope>L~D</scope><scope>M7N</scope><scope>P64</scope><scope>RC3</scope><scope>7X8</scope></search><sort><creationdate>20090814</creationdate><title>Docking in Metal-Organic Frameworks</title><author>Li, Qiaowei ; Zhang, Wenyu ; Miljanić, Ognjen Š ; Sue, Chi-Hau ; Zhao, Yan-Li ; Liu, Lihua ; Knobler, Carolyn B ; Stoddart, J. 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Fraser</au><au>Yaghi, Omar M</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Docking in Metal-Organic Frameworks</atitle><jtitle>Science (American Association for the Advancement of Science)</jtitle><addtitle>Science</addtitle><date>2009-08-14</date><risdate>2009</risdate><volume>325</volume><issue>5942</issue><spage>855</spage><epage>859</epage><pages>855-859</pages><issn>0036-8075</issn><eissn>1095-9203</eissn><coden>SCIEAS</coden><notes>ObjectType-Article-2</notes><notes>SourceType-Scholarly Journals-1</notes><notes>ObjectType-Feature-1</notes><notes>content type line 23</notes><notes>ObjectType-Article-1</notes><notes>ObjectType-Feature-2</notes><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 (approximately 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.</abstract><cop>Washington, DC</cop><pub>American Association for the Advancement of Science</pub><pmid>19679809</pmid><doi>10.1126/science.1175441</doi><tpages>5</tpages><oa>free_for_read</oa></addata></record> |
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subjects | Applied sciences Atoms Chemical bonds Chemical compounds Crown ethers Crystal structure Crystallography Crystals Cubic crystals Exact sciences and technology Molecules Nuclear magnetic resonance Organic polymers Physicochemistry of polymers Properties and characterization Rotaxanes Structure, morphology and analysis Topology X ray diffraction |
title | Docking in Metal-Organic Frameworks |
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