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Volumn 79, Issue 2, 2014, Pages 711-719

Understanding the effects of preorganization, rigidity, and steric interactions in synthetic barbiturate receptors

Author keywords

[No Author keywords available]

Indexed keywords

CHEMISTRY; ORGANIC COMPOUNDS;

EID: 84896788924     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo402500a     Document Type: Article
Times cited : (21)

References (52)
  • 5
    • 0035796422 scopus 로고    scopus 로고
    • Prins, L. J.; Reinhoudt, D. N.; Timmerman, P.
    • Prins, L. J.; Reinhoudt, D. N.; Timmerman, P. Angew. Chem., Int. Ed. 2001, 40, 2382-2426.
    • (2001) Angew. Chem., Int. Ed. , vol.40 , pp. 2382-2426
  • 47
    • 84896777281 scopus 로고    scopus 로고
    • We also optimized and calculated binding enthalpies for the 2:1 barbital/2,6-biscarboxamido pyridine scaffolds even though we did not observe formation of these in solution, with the exception of 1a. The binding affinity of the second 2,6-biscarboxamido pyridine ligand was slightly lower than the first, and the entropic penalty required for forming the 2:1 adducts may explain the lack of observation in solution. See the Supporting Information for tabulated 2:1 binding enthalpies
    • We also optimized and calculated binding enthalpies for the 2:1 barbital/2,6-biscarboxamido pyridine scaffolds even though we did not observe formation of these in solution, with the exception of 1a. The binding affinity of the second 2,6-biscarboxamido pyridine ligand was slightly lower than the first, and the entropic penalty required for forming the 2:1 adducts may explain the lack of observation in solution. See the Supporting Information for tabulated 2:1 binding enthalpies.
  • 50
    • 84896767962 scopus 로고    scopus 로고
    • version 5; Semichem Inc.: Shawnee Mission, KS
    • Dennington, R.; Keith, T.; Millam, J. GaussView, version 5; Semichem Inc.: Shawnee Mission, KS, 2009.
    • GaussView , vol.2009
    • Dennington, R.1    Keith, T.2    Millam, J.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.