Effect of β-cyclodextrin on the hydrolisis of N-phenylphtalamide and N-adamantylphtalamide - A two-sided semiempirical approach
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 int...
Guardado en:
| Publicado: |
2002
|
|---|---|
| Materias: | |
| Acceso en línea: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v619_n1-3_p91_Granados http://hdl.handle.net/20.500.12110/paper_01661280_v619_n1-3_p91_Granados |
| Aporte de: |
| id |
paper:paper_01661280_v619_n1-3_p91_Granados |
|---|---|
| record_format |
dspace |
| spelling |
paper:paper_01661280_v619_n1-3_p91_Granados2023-06-08T15:15:22Z Effect of β-cyclodextrin on the hydrolisis of N-phenylphtalamide and N-adamantylphtalamide - A two-sided semiempirical approach 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 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. 2002 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v619_n1-3_p91_Granados http://hdl.handle.net/20.500.12110/paper_01661280_v619_n1-3_p91_Granados |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
| repository_str |
R-134 |
| collection |
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| topic |
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 |
| spellingShingle |
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 Effect of β-cyclodextrin on the hydrolisis of N-phenylphtalamide and N-adamantylphtalamide - A two-sided semiempirical approach |
| topic_facet |
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 |
| description |
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. |
| title |
Effect of β-cyclodextrin on the hydrolisis of N-phenylphtalamide and N-adamantylphtalamide - A two-sided semiempirical approach |
| title_short |
Effect of β-cyclodextrin on the hydrolisis of N-phenylphtalamide and N-adamantylphtalamide - A two-sided semiempirical approach |
| title_full |
Effect of β-cyclodextrin on the hydrolisis of N-phenylphtalamide and N-adamantylphtalamide - A two-sided semiempirical approach |
| title_fullStr |
Effect of β-cyclodextrin on the hydrolisis of N-phenylphtalamide and N-adamantylphtalamide - A two-sided semiempirical approach |
| title_full_unstemmed |
Effect of β-cyclodextrin on the hydrolisis of N-phenylphtalamide and N-adamantylphtalamide - A two-sided semiempirical approach |
| title_sort |
effect of β-cyclodextrin on the hydrolisis of n-phenylphtalamide and n-adamantylphtalamide - a two-sided semiempirical approach |
| publishDate |
2002 |
| url |
https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v619_n1-3_p91_Granados http://hdl.handle.net/20.500.12110/paper_01661280_v619_n1-3_p91_Granados |
| _version_ |
1768543175764344832 |