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Volumn 41, Issue 3-6, 2001, Pages 1266-1273

A Nonlinear Group Contribution Method for Predicting the Free Energies of Inclusion Complexation of Organic Molecules with α- and β-Cyclodextrins

Author keywords

[No Author keywords available]

Indexed keywords

ORGANIC MOLECULES;

EID: 0035470263     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci010295f     Document Type: Article
Times cited : (45)

References (26)
  • 1
    • 0345179962 scopus 로고    scopus 로고
    • The stability of cyclodextrin complexes in solution
    • Connors, K. A. The stability of cyclodextrin complexes in solution. Chem. Rev. 1997, 97, 1325-1357.
    • (1997) Chem. Rev. , vol.97 , pp. 1325-1357
    • Connors, K.A.1
  • 3
    • 0346461917 scopus 로고    scopus 로고
    • Introduction and general overview of cyclodextrin chemistry
    • Szejtli, J. Introduction and general overview of cyclodextrin chemistry. Chem. Rev. 1998, 98, 1743-1753.
    • (1998) Chem. Rev. , vol.98 , pp. 1743-1753
    • Szejtli, J.1
  • 4
    • 0001354595 scopus 로고    scopus 로고
    • Industrial applications of cyclodextrins
    • Hedges, A. R. Industrial applications of cyclodextrins. Chem. Rev. 1998, 98, 2035-2044.
    • (1998) Chem. Rev. , vol.98 , pp. 2035-2044
    • Hedges, A.R.1
  • 5
    • 0001696434 scopus 로고    scopus 로고
    • Applications of computational chemistry to the study of cyclodextrins
    • Lipkowitz, K. B. Applications of computational chemistry to the study of cyclodextrins. Chem. Rev. 1998, 98, 1829-1873.
    • (1998) Chem. Rev. , vol.98 , pp. 1829-1873
    • Lipkowitz, K.B.1
  • 6
    • 33751156847 scopus 로고
    • MM2 calculations on cyclodextrins: Multimodel inclusion complexes
    • Pérez, F.; Jaime, C.; Sánchez-Ruiz, X. MM2 calculations on cyclodextrins: Multimodel inclusion complexes. J. Org. Chem. 1995, 60, 3840-3845.
    • (1995) J. Org. Chem. , vol.60 , pp. 3840-3845
    • Pérez, F.1    Jaime, C.2    Sánchez-Ruiz, X.3
  • 7
    • 0002102853 scopus 로고
    • Quantitative structure-reactivity analysis of the inclusion mechanism by cyclodextrins
    • Matsui, Y.; Nishioka, T.; Fujita, T. Quantitative structure-reactivity analysis of the inclusion mechanism by cyclodextrins. Topics Curr. Chem. 1985, 128, 61-89.
    • (1985) Topics Curr. Chem. , vol.128 , pp. 61-89
    • Matsui, Y.1    Nishioka, T.2    Fujita, T.3
  • 8
    • 0011923855 scopus 로고
    • Correlation analysis of the host-guest interaction of α-cyclodextrin and substituted benzenes
    • Davis, D. M.; Savage, J. R. Correlation analysis of the host-guest interaction of α-cyclodextrin and substituted benzenes. J. Chem. Res. (S) 1993, 94-95.
    • (1993) J. Chem. Res. (S) , pp. 94-95
    • Davis, D.M.1    Savage, J.R.2
  • 9
    • 37049069843 scopus 로고
    • Binding forces contributing to the complexation of organic molecules with β-cyclodextrin in aqueous solution
    • Park, J. H.; Nah, T. H. Binding forces contributing to the complexation of organic molecules with β-cyclodextrin in aqueous solution. J. Chem. Soc., Perkin Trans. 2. 1994, 1359-1362.
    • (1994) J. Chem. Soc., Perkin Trans. 2. , pp. 1359-1362
    • Park, J.H.1    Nah, T.H.2
  • 10
    • 0034165128 scopus 로고    scopus 로고
    • A method for predicting the free energies of complexation between β-cyclodextrin and guest molecules
    • Klein, C. Th.; Polheim, D.; Viernstein, H.; Wolschann, P. A method for predicting the free energies of complexation between β-cyclodextrin and guest molecules. J. Incl. Phenom. Macro. Chem. 2000, 36, 409-423.
    • (2000) J. Incl. Phenom. Macro. Chem. , vol.36 , pp. 409-423
    • Klein, C.Th.1    Polheim, D.2    Viernstein, H.3    Wolschann, P.4
  • 11
    • 0030883825 scopus 로고    scopus 로고
    • QSAR study of inclusion complexes of heterocyclic compounds with β-cyclodextrin
    • Carpignano, R.; Marzona, M.; Cattaneo, E.; Quaranta, S. QSAR study of inclusion complexes of heterocyclic compounds with β-cyclodextrin. Anal. Chim. Acta 1997, 348, 489-493.
    • (1997) Anal. Chim. Acta , vol.348 , pp. 489-493
    • Carpignano, R.1    Marzona, M.2    Cattaneo, E.3    Quaranta, S.4
  • 12
    • 0000060561 scopus 로고    scopus 로고
    • Wavelet neural network and its application to the inclusion of β-cyclodextrin with benzene derivatives
    • Liu, L.; Guo, Q.-X. Wavelet neural network and its application to the inclusion of β-cyclodextrin with benzene derivatives. J. Chem. Inf. Comput. Sci. 1999, 39, 133-138.
    • (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 133-138
    • Liu, L.1    Guo, Q.-X.2
  • 13
    • 0033828713 scopus 로고    scopus 로고
    • Classical QSAR and comparative molecular field analyses of the host-guest interaction of organic molecules with cyclodextrins
    • Suzuki, T.; Ishida, M.; Fabian, W. M. F. Classical QSAR and comparative molecular field analyses of the host-guest interaction of organic molecules with cyclodextrins. J. Comput.-Aided Mol. Design 2000, 14, 669-678.
    • (2000) J. Comput.-Aided Mol. Design , vol.14 , pp. 669-678
    • Suzuki, T.1    Ishida, M.2    Fabian, W.M.F.3
  • 14
    • 0023751431 scopus 로고
    • Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
    • Cramer, R. D., III.; Patterson, D. E; Bunce, J. D. Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins. J. Am. Chem. Soc. 1988, 110, 5959-5967.
    • (1988) J. Am. Chem. Soc. , vol.110 , pp. 5959-5967
    • Cramer R.D. III1    Patterson, D.E.2    Bunce, J.D.3
  • 15
    • 0023709111 scopus 로고
    • Improvement of chemical instability of digitoxin in aqueous solution by complexation with β-cyclodextrin derivatives
    • Yoshida, A.; Yamamoto, M.; Hirayama, F.; Uekawa, K. Improvement of chemical instability of digitoxin in aqueous solution by complexation with β-cyclodextrin derivatives. Chem. Pharm. Bull. 1988, 36, 4075-4080.
    • (1988) Chem. Pharm. Bull. , vol.36 , pp. 4075-4080
    • Yoshida, A.1    Yamamoto, M.2    Hirayama, F.3    Uekawa, K.4
  • 17
    • 0000223084 scopus 로고
    • Thermodynamics of molecular recognition by cyclodextrins. 1. Calorimetric titration of inclusion complexation of naphthalene-sulfonates with α-, β-, and γ-cyclodextrins: Enthalpy-entropy compensation
    • Inoue, Y.; Hakushi, T.; Liu, Y.; Tong, L.-H.; Shen, B.-J.; Jin, D.-S. Thermodynamics of molecular recognition by cyclodextrins. 1. Calorimetric titration of inclusion complexation of naphthalene-sulfonates with α-, β-, and γ-cyclodextrins: Enthalpy-entropy compensation. J. Am. Chem. Soc. 1993, 115, 475-481.
    • (1993) J. Am. Chem. Soc. , vol.115 , pp. 475-481
    • Inoue, Y.1    Hakushi, T.2    Liu, Y.3    Tong, L.-H.4    Shen, B.-J.5    Jin, D.-S.6
  • 18
    • 0029093982 scopus 로고
    • Thermodynamic and nuclear magnetic resonance study of the interactions of α- and β-cyclodextrin with model substances: Phenethylamine, ephedrines, and related substances
    • Rekharsky, M. V.; Goldberg, R. N.; Schwarz, F. P.; Tewari, Y. B.; Ross, P. D.; Yamashoji, Y.; Inoue, Y. Thermodynamic and nuclear magnetic resonance study of the interactions of α- and β-cyclodextrin with model substances: phenethylamine, ephedrines, and related substances. J. Am. Chem. Soc. 1995, 117, 8830-8840.
    • (1995) J. Am. Chem. Soc. , vol.117 , pp. 8830-8840
    • Rekharsky, M.V.1    Goldberg, R.N.2    Schwarz, F.P.3    Tewari, Y.B.4    Ross, P.D.5    Yamashoji, Y.6    Inoue, Y.7
  • 20
    • 0029018771 scopus 로고
    • Population characteristics of cyclodextrin complex stabilities in aqueous solution
    • Connors, K. A. Population characteristics of cyclodextrin complex stabilities in aqueous solution. J. Pharm. Sci. 1995, 84, 843-848.
    • (1995) J. Pharm. Sci. , vol.84 , pp. 843-848
    • Connors, K.A.1
  • 23
  • 24
    • 84972939236 scopus 로고
    • Estimation of pure-component properties from group- Contributions
    • Joback, K. G.; Reid, R. C. Estimation of pure-component properties from group- contributions. Chem. Eng. Comm. 1987, 57, 233-243.
    • (1987) Chem. Eng. Comm. , vol.57 , pp. 233-243
    • Joback, K.G.1    Reid, R.C.2
  • 25
    • 0034354873 scopus 로고    scopus 로고
    • Analytical improvement in measuring formation constants of inclusion complexes between β-cyclodextrin and phenolic compounds
    • Landy, D.; Fourmentin, S.; Salome, M.; Surpateanu, G. Analytical improvement in measuring formation constants of inclusion complexes between β-cyclodextrin and phenolic compounds. J. Incl. Phenom. Macro. Chem. 2000, 38, 187-198.
    • (2000) J. Incl. Phenom. Macro. Chem. , vol.38 , pp. 187-198
    • Landy, D.1    Fourmentin, S.2    Salome, M.3    Surpateanu, G.4
  • 26
    • 0031993237 scopus 로고    scopus 로고
    • Substituent effects on the driving force for inclusion complexation of α- and β-cyclodextrin with monosubstituted benzene derivatives
    • Guo, Q.-X.; Luo, S.-H.; Liu, Y.-C. Substituent effects on the driving force for inclusion complexation of α- and β-cyclodextrin with monosubstituted benzene derivatives. J. Incl. Phenom. Mol. Recog. Chem. 1998, 30, 173-182.
    • (1998) J. Incl. Phenom. Mol. Recog. Chem. , vol.30 , pp. 173-182
    • Guo, Q.-X.1    Luo, S.-H.2    Liu, Y.-C.3


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