Back to Search
Start Over
Essentially Trap-Free CsPbBr3 Colloidal Nanocrystals by Postsynthetic Thiocyanate Surface Treatment.
- Source :
-
Journal of the American Chemical Society . 5/17/2017, Vol. 139 Issue 19, p6566-6537. 4p. - Publication Year :
- 2017
-
Abstract
- The conformational analysis of glycosidases affords a route to their specific inhibition through transition-state mimicry. Inspired by the rapid reaction rates of cyclophellitol and cyclophellitol aziridineboth covalent retaining β-glucosidase inhibitorswe postulated that the corresponding carba "cyclopropyl" analogue would be a potent retaining β-glucosidase inhibitor for those enzymes reacting through the 4H3 transition-state conformation. Ab initio metadynamics simulations of the conformational free energy landscape for the cyclopropyl inhibitors show a strong bias for the 4H3 conformation, and carba-cyclophellitol, with an N-(4-azidobutyl)carboxamide moiety, proved to be a potent inhibitor (K i = 8.2 nM) of the Thermotoga maritima TmGH1 β-glucosidase. 3-D structural analysis and comparison with unreacted epoxides show that this compound indeed binds in the 4H3 conformation, suggesting that conformational strain induced through a cyclopropyl unit may add to the armory of tight-binding inhibitor designs. [ABSTRACT FROM AUTHOR]
- Subjects :
- *THIOCYANATES
*COLLOIDAL stability
*NANOCRYSTAL synthesis
Subjects
Details
- Language :
- English
- ISSN :
- 00027863
- Volume :
- 139
- Issue :
- 19
- Database :
- Academic Search Index
- Journal :
- Journal of the American Chemical Society
- Publication Type :
- Academic Journal
- Accession number :
- 123111771
- Full Text :
- https://doi.org/10.1021/jacs.7b02817