Conformational Analysis of Novel Monoaryl Substituted Protoporphyrins by 1D NOE, 2D NOESY and Molecular Modeling Studies
Porphyrins 1-4 are monoaryl protoporphyrins substituted on C-5 or C-15 by a phenyl group. One- and two-dimensional nOe experiments and molecular modeling studies allowed us to find the most favorable conformations for these compounds. In the four porphyrins, the exocyclic phenyl group adopts a non-c...
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| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_0022152X_v34_n4_p1339_Robinsohn |
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todo:paper_0022152X_v34_n4_p1339_Robinsohn2023-10-03T14:27:43Z Conformational Analysis of Novel Monoaryl Substituted Protoporphyrins by 1D NOE, 2D NOESY and Molecular Modeling Studies Robinsohn, A.E. Buldain, G.Y. Maier, M.S. Porphyrins 1-4 are monoaryl protoporphyrins substituted on C-5 or C-15 by a phenyl group. One- and two-dimensional nOe experiments and molecular modeling studies allowed us to find the most favorable conformations for these compounds. In the four porphyrins, the exocyclic phenyl group adopts a non-coplanar disposition relative to the plane of the macrocycle and this is reflected in the 1D nOe difference and 2D NOESY results. In porphyrins 1 and 3 the macrocycle is nearly planar while nonplanar saddle conformations were obtained for porphyrins 2 and 4. Fil:Maier, M.S. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_0022152X_v34_n4_p1339_Robinsohn |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
| repository_str |
R-134 |
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| description |
Porphyrins 1-4 are monoaryl protoporphyrins substituted on C-5 or C-15 by a phenyl group. One- and two-dimensional nOe experiments and molecular modeling studies allowed us to find the most favorable conformations for these compounds. In the four porphyrins, the exocyclic phenyl group adopts a non-coplanar disposition relative to the plane of the macrocycle and this is reflected in the 1D nOe difference and 2D NOESY results. In porphyrins 1 and 3 the macrocycle is nearly planar while nonplanar saddle conformations were obtained for porphyrins 2 and 4. |
| format |
JOUR |
| author |
Robinsohn, A.E. Buldain, G.Y. Maier, M.S. |
| spellingShingle |
Robinsohn, A.E. Buldain, G.Y. Maier, M.S. Conformational Analysis of Novel Monoaryl Substituted Protoporphyrins by 1D NOE, 2D NOESY and Molecular Modeling Studies |
| author_facet |
Robinsohn, A.E. Buldain, G.Y. Maier, M.S. |
| author_sort |
Robinsohn, A.E. |
| title |
Conformational Analysis of Novel Monoaryl Substituted Protoporphyrins by 1D NOE, 2D NOESY and Molecular Modeling Studies |
| title_short |
Conformational Analysis of Novel Monoaryl Substituted Protoporphyrins by 1D NOE, 2D NOESY and Molecular Modeling Studies |
| title_full |
Conformational Analysis of Novel Monoaryl Substituted Protoporphyrins by 1D NOE, 2D NOESY and Molecular Modeling Studies |
| title_fullStr |
Conformational Analysis of Novel Monoaryl Substituted Protoporphyrins by 1D NOE, 2D NOESY and Molecular Modeling Studies |
| title_full_unstemmed |
Conformational Analysis of Novel Monoaryl Substituted Protoporphyrins by 1D NOE, 2D NOESY and Molecular Modeling Studies |
| title_sort |
conformational analysis of novel monoaryl substituted protoporphyrins by 1d noe, 2d noesy and molecular modeling studies |
| url |
http://hdl.handle.net/20.500.12110/paper_0022152X_v34_n4_p1339_Robinsohn |
| work_keys_str_mv |
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