Understanding and characterizing the drug sorption to PVC and PE materials
| Autor: | Nicolas Tokhadzé, Julien Devémy, Patrice Malfreyt, Alain Dequidt, Meriem Sahnoune, Philip Chennell, Valérie Sautou, Florent Goujon |
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| Přispěvatelé: | Institut de Chimie de Clermont-Ferrand (ICCF), Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Clermont Auvergne (UCA)-Institut national polytechnique Clermont Auvergne (INP Clermont Auvergne), Université Clermont Auvergne (UCA)-Université Clermont Auvergne (UCA), CHU Clermont-Ferrand |
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
plastic materials
Materials science Surface Properties Diffusion Plastic materials 010402 general chemistry 01 natural sciences chemistry.chemical_compound symbols.namesake Adsorption 0103 physical sciences General Materials Science Potential of mean force Polyvinyl Chloride drug loss drug-material interactions Acetaminophen Diazepam sorption thermodynamic properties 010304 chemical physics Plasticizer Water Sorption potential of mean force Polyethylene 0104 chemical sciences Gibbs free energy [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry chemistry Chemical engineering symbols Thermodynamics molecular description |
| Zdroj: | ACS Applied Materials & Interfaces ACS Applied Materials & Interfaces, Washington, D.C. : American Chemical Society, 2021, 13, pp.18594-18603. ⟨10.1021/acsami.1c03284⟩ ACS Applied Materials & Interfaces, 2021, 13, pp.18594-18603. ⟨10.1021/acsami.1c03284⟩ |
| ISSN: | 1944-8244 1944-8252 |
| DOI: | 10.1021/acsami.1c03284⟩ |
| Popis: | Characterizing the sorption of drugs onto polyvinylchloride (PVC) and polyethylene (PE) materials in terms of thermodynamic adsorption properties and atomistic details (local arrangements, orientation, and diffusion) is fundamental for the development of alternative materials that would limit drug sorption phenomena and plasticizer release. Here, a combination of experiments and sophisticated calculations of potential of mean forces are carried out to investigate the sorption of paracetamol and diazepam to PE and PVC surfaces. The simulated Gibbs free energies of adsorption are in line with the experimental interpretations. The polymer-drug-water interface is then characterized at the molecular scale by an in-depth investigation of local properties such as density, orientation, and diffusion. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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