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Volumn 41, Issue 21, 2000, Pages 4139-4142

Non-directional forces drive guest affinity and discrimination in a calix(5)arene-based receptor

Author keywords

Calixarene; Hydrogen bonding; Molecular modeling; Molecular recognition

Indexed keywords

ALKYL GROUP; CALIX[5]ARENE; PIPERAZINEDIONE; POLYCYCLIC AROMATIC HYDROCARBON DERIVATIVE; RECEPTOR; UNCLASSIFIED DRUG;

EID: 0034729302     PISSN: 00404039     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0040-4039(00)00553-0     Document Type: Article
Times cited : (10)

References (26)
  • 18
    • 0003881316 scopus 로고
    • (a) John Wiley and Sons: New York
    • (a) Connors, K. A. Binding Constants; John Wiley and Sons: New York, 1987.
    • (1987) Binding Constants
    • Connors, K.A.1
  • 20
    • 84992283607 scopus 로고    scopus 로고
    • note
    • From the titration of the DKP having both of methyl and t-butyl groups, the t-butyl group sits more preferentially within the cavity than the methyl group. The selectivity is in a ratio of about 6:1 (t-Bu:Me), determined by comparing the complexation-induced shifts of these groups.
  • 23
    • 84992249009 scopus 로고    scopus 로고
    • note
    • The complexation-induced shift (CIS) of the alkyl substituents support the calculated structure of the complexes in which the alkyl substituent resides within the cavity.
  • 25
    • 84992235646 scopus 로고    scopus 로고
    • note
    • The Grasp program can calculate only closed cavity volumes. An extra three benzene rings were put on the upper rim of the calix(5)arene having methyl substituents at each para position of the phenolic ring.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.