Evaluating micellar liquid chromatographic methods on octadecyl particle-based and monolithic columns to predict the skin permeation of drug and cosmetic molecules.

Micellar liquid chromatography Monolithic column Quantitative retention-activity relationship models Quantitative structure-activity relationship models Skin permeability

Journal

Journal of chromatography. A
ISSN: 1873-3778
Titre abrégé: J Chromatogr A
Pays: Netherlands
ID NLM: 9318488

Informations de publication

Date de publication:
25 Jan 2022
Historique:
received: 29 10 2021
revised: 12 12 2021
accepted: 14 12 2021
pubmed: 27 12 2021
medline: 19 1 2022
entrez: 26 12 2021
Statut: ppublish

Résumé

A micellar liquid chromatographic method was developed to assist in the modeling of the skin permeability of pharmaceutical and cosmetic compounds. The composition of the mobile phase was determined by means of a two-factor central composite design, after which it was tested on both a particle-based and monolithic column. The latter provided the opportunity to increase the flow rate from 1 to 8 mL/min without reaching too high backpressures. The micellar conditions allowed analyzing a large test set of compounds with diverse characteristics with just one mobile-phase composition. The obtained experimental chromatographic descriptors besides two sets of theoretical molecular descriptors were used to model the skin permeability coefficient log K

Identifiants

pubmed: 34954537
pii: S0021-9673(21)00875-X
doi: 10.1016/j.chroma.2021.462753
pii:
doi:

Substances chimiques

Cosmetics 0
Micelles 0

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

462753

Informations de copyright

Copyright © 2021. Published by Elsevier B.V.

Déclaration de conflit d'intérêts

Declaration of Competing Interest The authors declare that they have no conflict of interest.

Auteurs

Yasmine Grooten (Y)

Vrije Universiteit Brussel (VUB), Department of Analytical Chemistry, Applied Chemometrics and Molecular Modelling, Laarbeeklaan 103, Brussels B-1090, Belgium. Electronic address: yasmine.grooten@vub.be.

Quinten Marcelis (Q)

Vrije Universiteit Brussel (VUB), Department of In Vitro Toxicology and Dermato-Cosmetology, Laarbeeklaan 103, Brussels B-1090, Belgium. Electronic address: quinten.marcelis@vub.be.

Debby Mangelings (D)

Vrije Universiteit Brussel (VUB), Department of Analytical Chemistry, Applied Chemometrics and Molecular Modelling, Laarbeeklaan 103, Brussels B-1090, Belgium. Electronic address: debby.mangelings@vub.be.

Yvan Vander Heyden (Y)

Vrije Universiteit Brussel (VUB), Department of Analytical Chemistry, Applied Chemometrics and Molecular Modelling, Laarbeeklaan 103, Brussels B-1090, Belgium. Electronic address: yvan.vander.heyden@vub.be.

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Classifications MeSH