Artículo
Granados, A.M.; De Rossi, R.H.; Barbiric, D.A.; Castro, E.A. "Effect of β-cyclodextrin on the hydrolisis of N-phenylphtalamide and N-adamantylphtalamide - A two-sided semiempirical approach" (2002) Journal of Molecular Structure: THEOCHEM. 619(1-3):91-100
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Abstract:
Complexes of β-cyclodextrin including N-phenylphtalamide, N-adamantylphtalamide or their respective intermediates occurring during intramolecular amide hydrolysis were calculated by means of the PM3 and molecular mechanics programs. Structural features of the complexes, energy changes and mutual interactions are comparatively analyzed in order to explain the behavior differences that were experimentally observed between the two-substrate families. Some convergence characteristics are also commented. © 2002 Elsevier Science B.V. All rights reserved.
Registro:
| Documento: | Artículo |
| Título: | Effect of β-cyclodextrin on the hydrolisis of N-phenylphtalamide and N-adamantylphtalamide - A two-sided semiempirical approach |
| Autor: | Granados, A.M.; De Rossi, R.H.; Barbiric, D.A.; Castro, E.A. |
| Filiación: | Departamento de Quimica Organica, Inst. Invest./Fis. Quim. de Cordoba, Universidad Nacional de Cordoba, 5000 Córdoba, Argentina DQIAQF, Facultad Ciencias Exact./Naturales, Universidad de Buenos Aires, 1428 Buenos Aires, Argentina Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Calle 47y 115, 1900 La Plata, Argentina |
| Palabras clave: | Cyclodextrins; Inclusion complexes; Phtalamides; amide; beta cyclodextrin; n adamantylphthalamide; n phenylphthalamide; unclassified drug; article; calculation; chemical interaction; crystal structure; energy; hydrogen bond; hydrolysis; molecular mechanics |
| Año: | 2002 |
| Volumen: | 619 |
| Número: | 1-3 |
| Página de inicio: | 91 |
| Página de fin: | 100 |
| DOI: | http://dx.doi.org/10.1016/S0166-1280(02)00549-3 |
| Título revista: | Journal of Molecular Structure: THEOCHEM |
| Título revista abreviado: | J. Mol. Struct. THEOCHEM |
| ISSN: | 01661280 |
| CODEN: | THEOD |
| CAS: | amide, 17655-31-1; beta cyclodextrin, 7585-39-9 |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v619_n1-3_p91_Granados |
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Citas:
---------- APA ----------
Granados, A.M., De Rossi, R.H., Barbiric, D.A. & Castro, E.A. (2002) . Effect of β-cyclodextrin on the hydrolisis of N-phenylphtalamide and N-adamantylphtalamide - A two-sided semiempirical approach. Journal of Molecular Structure: THEOCHEM, 619(1-3), 91-100.http://dx.doi.org/10.1016/S0166-1280(02)00549-3
---------- CHICAGO ----------
Granados, A.M., De Rossi, R.H., Barbiric, D.A., Castro, E.A. "Effect of β-cyclodextrin on the hydrolisis of N-phenylphtalamide and N-adamantylphtalamide - A two-sided semiempirical approach" . Journal of Molecular Structure: THEOCHEM 619, no. 1-3 (2002) : 91-100.http://dx.doi.org/10.1016/S0166-1280(02)00549-3
---------- MLA ----------
Granados, A.M., De Rossi, R.H., Barbiric, D.A., Castro, E.A. "Effect of β-cyclodextrin on the hydrolisis of N-phenylphtalamide and N-adamantylphtalamide - A two-sided semiempirical approach" . Journal of Molecular Structure: THEOCHEM, vol. 619, no. 1-3, 2002, pp. 91-100.http://dx.doi.org/10.1016/S0166-1280(02)00549-3
---------- VANCOUVER ----------
Granados, A.M., De Rossi, R.H., Barbiric, D.A., Castro, E.A. Effect of β-cyclodextrin on the hydrolisis of N-phenylphtalamide and N-adamantylphtalamide - A two-sided semiempirical approach. J. Mol. Struct. THEOCHEM. 2002;619(1-3):91-100.http://dx.doi.org/10.1016/S0166-1280(02)00549-3
