An approach based on Density Functional Theory (DFT) calculations to assess the Candida antarctica lipase B selectivity in rutin, isoquercitrin and quercetin acetylation
International audience
| Published in: | Journal of Molecular Catalysis B: Enzymatic |
|---|---|
| Main Authors: | , , , , , , , , |
| Other Authors: | , , , , |
| Format: | Article in Journal/Newspaper |
| Language: | English |
| Published: |
HAL CCSD
2010
|
| Subjects: | |
| Online Access: | https://hal.science/hal-03537732 https://doi.org/10.1016/j.molcatb.2010.06.009 |
| id |
ftccsdartic:oai:HAL:hal-03537732v1 |
|---|---|
| record_format |
openpolar |
| spelling |
ftccsdartic:oai:HAL:hal-03537732v1 2023-12-10T09:42:45+01:00 An approach based on Density Functional Theory (DFT) calculations to assess the Candida antarctica lipase B selectivity in rutin, isoquercitrin and quercetin acetylation de Oliveira, Eduardo Humeau, Catherine Maia, Elaine Chebil, Latifa Ronat, Evelyne Monard, Gerald Ruiz-Lopez, Manuel Ghoul, Mohamed Engasser, Jean-Marc Laboratoire d'Ingénierie des Biomolécules (LIBio) Université de Lorraine (UL) Universidade de Brasilia Brasília (UnB) Structure et Réactivité des Systèmes Moléculaires Complexes (SRSMC) Institut de Chimie - CNRS Chimie (INC-CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS) 2010-10 https://hal.science/hal-03537732 https://doi.org/10.1016/j.molcatb.2010.06.009 en eng HAL CCSD Elsevier info:eu-repo/semantics/altIdentifier/doi/10.1016/j.molcatb.2010.06.009 hal-03537732 https://hal.science/hal-03537732 doi:10.1016/j.molcatb.2010.06.009 ISSN: 1381-1177 Journal of Molecular Catalysis B: Enzymatic https://hal.science/hal-03537732 Journal of Molecular Catalysis B: Enzymatic, 2010, 66 (3-4), pp.325-331. ⟨10.1016/j.molcatb.2010.06.009⟩ [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation info:eu-repo/semantics/article Journal articles 2010 ftccsdartic https://doi.org/10.1016/j.molcatb.2010.06.009 2023-11-12T00:20:41Z International audience Article in Journal/Newspaper Antarc* Antarctica Archive ouverte HAL (Hyper Article en Ligne, CCSD - Centre pour la Communication Scientifique Directe) Journal of Molecular Catalysis B: Enzymatic 66 3-4 325 331 |
| institution |
Open Polar |
| collection |
Archive ouverte HAL (Hyper Article en Ligne, CCSD - Centre pour la Communication Scientifique Directe) |
| op_collection_id |
ftccsdartic |
| language |
English |
| topic |
[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation |
| spellingShingle |
[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation de Oliveira, Eduardo Humeau, Catherine Maia, Elaine Chebil, Latifa Ronat, Evelyne Monard, Gerald Ruiz-Lopez, Manuel Ghoul, Mohamed Engasser, Jean-Marc An approach based on Density Functional Theory (DFT) calculations to assess the Candida antarctica lipase B selectivity in rutin, isoquercitrin and quercetin acetylation |
| topic_facet |
[INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM] [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation |
| description |
International audience |
| author2 |
Laboratoire d'Ingénierie des Biomolécules (LIBio) Université de Lorraine (UL) Universidade de Brasilia Brasília (UnB) Structure et Réactivité des Systèmes Moléculaires Complexes (SRSMC) Institut de Chimie - CNRS Chimie (INC-CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS) |
| format |
Article in Journal/Newspaper |
| author |
de Oliveira, Eduardo Humeau, Catherine Maia, Elaine Chebil, Latifa Ronat, Evelyne Monard, Gerald Ruiz-Lopez, Manuel Ghoul, Mohamed Engasser, Jean-Marc |
| author_facet |
de Oliveira, Eduardo Humeau, Catherine Maia, Elaine Chebil, Latifa Ronat, Evelyne Monard, Gerald Ruiz-Lopez, Manuel Ghoul, Mohamed Engasser, Jean-Marc |
| author_sort |
de Oliveira, Eduardo |
| title |
An approach based on Density Functional Theory (DFT) calculations to assess the Candida antarctica lipase B selectivity in rutin, isoquercitrin and quercetin acetylation |
| title_short |
An approach based on Density Functional Theory (DFT) calculations to assess the Candida antarctica lipase B selectivity in rutin, isoquercitrin and quercetin acetylation |
| title_full |
An approach based on Density Functional Theory (DFT) calculations to assess the Candida antarctica lipase B selectivity in rutin, isoquercitrin and quercetin acetylation |
| title_fullStr |
An approach based on Density Functional Theory (DFT) calculations to assess the Candida antarctica lipase B selectivity in rutin, isoquercitrin and quercetin acetylation |
| title_full_unstemmed |
An approach based on Density Functional Theory (DFT) calculations to assess the Candida antarctica lipase B selectivity in rutin, isoquercitrin and quercetin acetylation |
| title_sort |
approach based on density functional theory (dft) calculations to assess the candida antarctica lipase b selectivity in rutin, isoquercitrin and quercetin acetylation |
| publisher |
HAL CCSD |
| publishDate |
2010 |
| url |
https://hal.science/hal-03537732 https://doi.org/10.1016/j.molcatb.2010.06.009 |
| genre |
Antarc* Antarctica |
| genre_facet |
Antarc* Antarctica |
| op_source |
ISSN: 1381-1177 Journal of Molecular Catalysis B: Enzymatic https://hal.science/hal-03537732 Journal of Molecular Catalysis B: Enzymatic, 2010, 66 (3-4), pp.325-331. ⟨10.1016/j.molcatb.2010.06.009⟩ |
| op_relation |
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.molcatb.2010.06.009 hal-03537732 https://hal.science/hal-03537732 doi:10.1016/j.molcatb.2010.06.009 |
| op_doi |
https://doi.org/10.1016/j.molcatb.2010.06.009 |
| container_title |
Journal of Molecular Catalysis B: Enzymatic |
| container_volume |
66 |
| container_issue |
3-4 |
| container_start_page |
325 |
| op_container_end_page |
331 |
| _version_ |
1784885728668286976 |