Publication Date:
1996-08-02
Description:
Theoretical modeling of the dynamics of complexation and decomplexation of guest molecules by container molecules reveals that gating has a critical influence on the ease of formation and stability of host-guest complexes. Hosts equipped with gates can form very stable complexes with a variety of guests under readily achievable conditions. Gating involves conformational processes of the host molecule that alter the size of the portals through which guest molecules pass. "French door" and "sliding door" mechanisms of gate opening are identified.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Houk, K N -- Nakamura, K -- Sheu, C -- Keating, A E -- New York, N.Y. -- Science. 1996 Aug 2;273(5275):627-9.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Chemistry and Biochemistry, University of California, Los Angeles, CA 90095-1569, USA.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/8662548" target="_blank"〉PubMed〈/a〉
Keywords:
Acetonitriles/chemistry
;
Benzene/chemistry
;
*Chemistry, Organic
;
Chemistry, Physical
;
Molecular Conformation
;
Organic Chemistry Phenomena
;
Physicochemical Phenomena
;
Software
;
Solvents
;
Thermodynamics
Print ISSN:
0036-8075
Electronic ISSN:
1095-9203
Topics:
Biology
,
Chemistry and Pharmacology
,
Computer Science
,
Medicine
,
Natural Sciences in General
,
Physics
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