Approaching drug release performance from mesoporous silica formulations by modeling of chemical potentials
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Author (Corporation)
Publication date
01.11.2025
Type of student thesis
Course of study
Type
01A - Journal article
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Editor (Corporation)
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Parent work
European Journal of Pharmaceutical Sciences
Special issue
DOI of the original publication
Link
Series
Series number
Volume
214
Issue / Number
Pages / Duration
107283
Patent number
Publisher / Publishing institution
Elsevier
Place of publication / Event location
Edition
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Abstract
Mesoporous silica are promising bio-enabling carriers for poorly soluble drugs. However, a comprehensive understanding of drug-silica interactions and their impact on drug release remains limited. Apart from urgently needed experimental tools, predictive in silico tools that consider drug-carrier interactions in aqueous media are currently lacking. To address this gap, a novel in silico approach (silica-water partitioning coefficient) was introduced in this study. A series of ten drugs were loaded onto a mesoporous carrier (Parteck® SLC 500), and the products were analyzed using differential scanning calorimetry (DSC) and X-ray powder diffraction (XRPD). In vitro dissolution (USP II) profiles of drug-loaded formulations were analyzed and correlated with a newly introduced silica-water partitioning coefficient derived from chemical potential calculations using the Conductor-like Screening Model for Real Solvents (COSMO-RS). Strong correlations were observed between dissolution parameters, such as the initial release slopes (Pearson r = -0.98; p = < 0.05) and AUC values (Pearson r = -0.79; p < 0.05), and the calculated chemical potential-based partitioning coefficient. This study introduces a predictive method based on COSMO-RS-derived chemical potentials to estimate silica-water partitioning for drugs, thereby predicting their release performance from mesoporous silica formulations. The results demonstrate that these calculated chemical potentials can qualitatively rank the drug release kinetics in aqueous media. Further investigation with additional compounds and carrier types may broaden the applicability of this approach as a mechanistic tool for mesoporous silica formulation development and contribute to narrowing the gap toward future clinical translation.
Keywords
Chemical potentials, COSMO-RS, Drug dissolution, Drug-silica interactions, Non-ordered mesoporous silica, Silica-water partitioning coefficient
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ISBN
ISSN
1879-0720
0928-0987
0928-0987
Language
English
Created during FHNW affiliation
Yes
Strategic action fields FHNW
Publication status
Published
Review
Peer review of the complete publication
Open access category
Gold
License
Citation
Niederquell, A., Hofer, A., Vraníková, B., & Kuentz, M. (2025). Approaching drug release performance from mesoporous silica formulations by modeling of chemical potentials. European Journal of Pharmaceutical Sciences, 214, 107283. https://doi.org/10.1016/j.ejps.2025.107283