The role of ionic vs. non-ionic excipients in APIs-based eutectic systems
Autor(a) principal: | |
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Data de Publicação: | 2018 |
Outros Autores: | , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/10198/24285 |
Resumo: | Aiming to contribute to drug pre-formulation, new eutectic mixtures were developed. Thymol, coumarin, or quaternary ammonium chlorides as excipients, were combined with the active pharmaceutical ingredients (APIs) acetylsalicylic acid, acetaminophen, ibuprofen, ketoprofen, or lidocaine. Their solid-liquid equilibrium (SLE) binary phase diagrams were measured to study eventual phase separation between the compounds, preventing manufacturing problems, and to study the molecular interactions between the APIs and ionic or non-ionic excipients. The Conductor-like Screening Model for Real Solvents (COSMO-RS) capability to predict the SLE of mixtures containing non-ionic excipients was further evaluated. COSMO-RS gives a good quantitative description of the experimental SLE being a tool with great potential in the screening of eutectic systems containing APIs and non-ionic excipients. While thymol presents strong interactions with the APIs, and consequently negative deviations to thermodynamic ideality, systems containing coumarin follow a quasi-ideal behavior. Regarding the ionic excipients, both choline chloride and the tetraalkylammonium chlorides are unable to establish relevant interactions with the APIs, and no significant negative deviations to ideality are observed. The liquefaction of the APIs here studied is favored by using non-ionic excipients, such as thymol, due to the strong interactions it can establish with the APIs. |
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The role of ionic vs. non-ionic excipients in APIs-based eutectic systemsCOSMO-RSDrug formulationPhase diagramsQuaternary ammonium chloridesSolid-liquid equilibriumThymolAiming to contribute to drug pre-formulation, new eutectic mixtures were developed. Thymol, coumarin, or quaternary ammonium chlorides as excipients, were combined with the active pharmaceutical ingredients (APIs) acetylsalicylic acid, acetaminophen, ibuprofen, ketoprofen, or lidocaine. Their solid-liquid equilibrium (SLE) binary phase diagrams were measured to study eventual phase separation between the compounds, preventing manufacturing problems, and to study the molecular interactions between the APIs and ionic or non-ionic excipients. The Conductor-like Screening Model for Real Solvents (COSMO-RS) capability to predict the SLE of mixtures containing non-ionic excipients was further evaluated. COSMO-RS gives a good quantitative description of the experimental SLE being a tool with great potential in the screening of eutectic systems containing APIs and non-ionic excipients. While thymol presents strong interactions with the APIs, and consequently negative deviations to thermodynamic ideality, systems containing coumarin follow a quasi-ideal behavior. Regarding the ionic excipients, both choline chloride and the tetraalkylammonium chlorides are unable to establish relevant interactions with the APIs, and no significant negative deviations to ideality are observed. The liquefaction of the APIs here studied is favored by using non-ionic excipients, such as thymol, due to the strong interactions it can establish with the APIs.This work was developed within the scope of the project CICECO Aveiro Institute of Materials, UIDB/50011/2020 & UIDP/50011/2020, and CIMO-Mountain Research Center, UIDB/00690/2020, both financed by national funds through the Portuguese Foundation for Science and Technology/MCTES. L.P.S. acknowledges FCT for her PhD grant (SFRH/BD/135976/2018).Biblioteca Digital do IPBMartins, Mónia A.R.Silva, Liliana P.Jorge, Patrícia S.Abranches, Dinis O.Pinho, SimãoCoutinho, João A.P.2018-01-19T10:00:00Z20212021-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10198/24285engMartins, Mónia A.R.; Silva, Liliana P.; Jorge, Patrícia S.; Abranches, Dinis O.; Pinho, Simão P.; Coutinho, João A.P. (2021). The role of ionic vs. non-ionic excipients in APIs-based eutectic systems. European Journal of Pharmaceutical Sciences. ISSN 0928-0987. 156, p. 1-100928-098710.1016/j.ejps.2020.105583info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2023-11-21T10:54:17Zoai:bibliotecadigital.ipb.pt:10198/24285Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T23:15:07.929480Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse |
dc.title.none.fl_str_mv |
The role of ionic vs. non-ionic excipients in APIs-based eutectic systems |
title |
The role of ionic vs. non-ionic excipients in APIs-based eutectic systems |
spellingShingle |
The role of ionic vs. non-ionic excipients in APIs-based eutectic systems Martins, Mónia A.R. COSMO-RS Drug formulation Phase diagrams Quaternary ammonium chlorides Solid-liquid equilibrium Thymol |
title_short |
The role of ionic vs. non-ionic excipients in APIs-based eutectic systems |
title_full |
The role of ionic vs. non-ionic excipients in APIs-based eutectic systems |
title_fullStr |
The role of ionic vs. non-ionic excipients in APIs-based eutectic systems |
title_full_unstemmed |
The role of ionic vs. non-ionic excipients in APIs-based eutectic systems |
title_sort |
The role of ionic vs. non-ionic excipients in APIs-based eutectic systems |
author |
Martins, Mónia A.R. |
author_facet |
Martins, Mónia A.R. Silva, Liliana P. Jorge, Patrícia S. Abranches, Dinis O. Pinho, Simão Coutinho, João A.P. |
author_role |
author |
author2 |
Silva, Liliana P. Jorge, Patrícia S. Abranches, Dinis O. Pinho, Simão Coutinho, João A.P. |
author2_role |
author author author author author |
dc.contributor.none.fl_str_mv |
Biblioteca Digital do IPB |
dc.contributor.author.fl_str_mv |
Martins, Mónia A.R. Silva, Liliana P. Jorge, Patrícia S. Abranches, Dinis O. Pinho, Simão Coutinho, João A.P. |
dc.subject.por.fl_str_mv |
COSMO-RS Drug formulation Phase diagrams Quaternary ammonium chlorides Solid-liquid equilibrium Thymol |
topic |
COSMO-RS Drug formulation Phase diagrams Quaternary ammonium chlorides Solid-liquid equilibrium Thymol |
description |
Aiming to contribute to drug pre-formulation, new eutectic mixtures were developed. Thymol, coumarin, or quaternary ammonium chlorides as excipients, were combined with the active pharmaceutical ingredients (APIs) acetylsalicylic acid, acetaminophen, ibuprofen, ketoprofen, or lidocaine. Their solid-liquid equilibrium (SLE) binary phase diagrams were measured to study eventual phase separation between the compounds, preventing manufacturing problems, and to study the molecular interactions between the APIs and ionic or non-ionic excipients. The Conductor-like Screening Model for Real Solvents (COSMO-RS) capability to predict the SLE of mixtures containing non-ionic excipients was further evaluated. COSMO-RS gives a good quantitative description of the experimental SLE being a tool with great potential in the screening of eutectic systems containing APIs and non-ionic excipients. While thymol presents strong interactions with the APIs, and consequently negative deviations to thermodynamic ideality, systems containing coumarin follow a quasi-ideal behavior. Regarding the ionic excipients, both choline chloride and the tetraalkylammonium chlorides are unable to establish relevant interactions with the APIs, and no significant negative deviations to ideality are observed. The liquefaction of the APIs here studied is favored by using non-ionic excipients, such as thymol, due to the strong interactions it can establish with the APIs. |
publishDate |
2018 |
dc.date.none.fl_str_mv |
2018-01-19T10:00:00Z 2021 2021-01-01T00:00:00Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://hdl.handle.net/10198/24285 |
url |
http://hdl.handle.net/10198/24285 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Martins, Mónia A.R.; Silva, Liliana P.; Jorge, Patrícia S.; Abranches, Dinis O.; Pinho, Simão P.; Coutinho, João A.P. (2021). The role of ionic vs. non-ionic excipients in APIs-based eutectic systems. European Journal of Pharmaceutical Sciences. ISSN 0928-0987. 156, p. 1-10 0928-0987 10.1016/j.ejps.2020.105583 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf |
dc.source.none.fl_str_mv |
reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
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Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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RCAAP |
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RCAAP |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
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Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
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