Conformational Locking as a Strategy to Reverse Ion Recognition Selectivity.
J Org Chem
; 89(6): 4037-4041, 2024 Mar 15.
Article
in En
| MEDLINE
| ID: mdl-38389323
ABSTRACT
This study delves into the ion recognition capabilities of a novel host molecule, emphasizing the role of conformational locking in dictating ion selectivity. By employing the Buchwald-Hartwig cross-coupling reaction, we have notably shifted the ion receptor's selectivity from K+ to Na+. The findings are supported by computational simulations that reveal differences in binding energies and molecular strain impacting ion recognition. This innovative structural modification broadens the scope for alterations at the calix[4]arene's lower rim, paving the way for new methods and strategies in modulating ion recognition selectivity.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
J Org Chem
/
J. org. chem
/
Journal of organic chemistry
Year:
2024
Document type:
Article