Can Pure Predictions of Activity Coefficients from PC-SAFT Assist Drug–Polymer Compatibility Screening?

J Pavliš, A Mathers, M Fulem… - Molecular …, 2023 - ACS Publications
The bioavailability of poorly water-soluble active pharmaceutical ingredients (APIs) can be
improved via the formulation of an amorphous solid dispersion (ASD), where the API is …

The step-wise dissolution method: An efficient DSC-based protocol for verification of predicted API–polymer compatibility

A Mathers, M Pechar, F Hassouna, M Fulem - International Journal of …, 2023 - Elsevier
The development of an amorphous solid dispersion (ASD) is a promising strategy for
improving the low bioavailability of many poorly water-soluble active pharmaceutical …

Solvent mixtures in pharmaceutical development: Maximizing the API solubility and avoiding phase separation

S Dohrn, C Luebbert, K Lehmkemper… - Fluid Phase …, 2021 - Elsevier
Knowing the solubilities of active pharmaceutical ingredients (APIs) in pure solvents and
solvent mixtures is essential for several manufacturing aspects of pharmaceutical product …

PC-SAFT modeling of phase equilibria relevant for lipid-based drug delivery systems

J Brinkmann, L Exner, SP Verevkin… - Journal of Chemical & …, 2021 - ACS Publications
In this work we investigated the solubilities of 10 active pharmaceutical ingredients (APIs),
namely, fenofibrate, ibuprofen, cinnarizine, carbamazepine, indomethacin, naproxen …

Predicting the solubility advantage of amorphous pharmaceuticals: a novel thermodynamic approach

R Paus, Y Ji, L Vahle, G Sadowski - Molecular pharmaceutics, 2015 - ACS Publications
For the solubility and bioavailability of poorly soluble active pharmaceutical ingredients
(APIs) to be improved, the transformation of crystalline APIs to the amorphous state has often …

Investigating various parametrization strategies for pharmaceuticals within the PC-SAFT equation of state

M Klajmon - Journal of Chemical & Engineering Data, 2020 - ACS Publications
Computational modeling is of great importance in solvent selection for new active
pharmaceutical ingredients (APIs), with the Perturbed-Chain Statistical Associating Fluid …

Thermodynamic phase behavior of API/polymer solid dispersions

A Prudic, Y Ji, G Sadowski - Molecular Pharmaceutics, 2014 - ACS Publications
To improve the bioavailability of poorly soluble active pharmaceutical ingredients (APIs),
these materials are often integrated into a polymer matrix that acts as a carrier. The resulting …

Purely predicting the pharmaceutical solubility: What to expect from PC-SAFT and COSMO-RS?

M Klajmon - Molecular Pharmaceutics, 2022 - ACS Publications
A pair of popular thermodynamic models for pharmaceutical applications, namely, the
perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state and the …

Thermodynamics of pharmaceuticals: Prediction of solubility in pure and mixed solvents with PC-SAFT

T Spyriouni, X Krokidis, IG Economou - Fluid phase equilibria, 2011 - Elsevier
A new scheme is presented for the parameterization of pharmaceuticals in the context of the
perturbed-chain statistical associating fluid theory (PC-SAFT). The pharmaceutical …

[HTML][HTML] Effect of Copolymer Properties on the Phase Behavior of Ibuprofen–PLA/PLGA Mixtures

A Iemtsev, M Klajmon, F Hassouna, M Fulem - Pharmaceutics, 2023 - mdpi.com
Prediction of compatibility of the active pharmaceutical ingredient (API) with the polymeric
carrier plays an essential role in designing drug delivery systems and estimating their long …