The implications of drug-polymer interactions on the physical stability of amorphous solid dispersions

M Bookwala, PLD Wildfong - Pharmaceutical Research, 2023 - Springer
Amorphous solid dispersions (ASDs) are a formulation and development strategy that can
be used to increase the apparent aqueous solubility of poorly water-soluble drugs. Their …

Molecular mechanism of crystal nucleation from solution

X Li, J Wang, T Wang, N Wang, S Zong, X Huang… - Science China …, 2021 - Springer
Nucleation from solution is fundamental to many natural and industrial processes. The
understanding of molecular mechanism of nucleation from solution is conducive to predict …

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 …

Validation of the supramolecular synthon preference through DFT and physicochemical property investigations of pyridyl salts of organo-sulfonates

AA Ganie, TM Ismail, PK Sajith, AA Dar - New Journal of Chemistry, 2021 - pubs.rsc.org
Synthon preference is perceived in the pyridyl salts of multi-functional organo-sulfonates
and validated through density functional theory (DFT) studies. The salt 1 of 5-sulfosalicylic …

Mechanistic study on metastable and stable liquid–liquid phase separation explored by molecular simulation and thermodynamic analysis

Y Huang, N Wang, J Wang, X Ji, J Yang… - Chemical Engineering …, 2024 - Elsevier
Liquid–liquid phase separation (LLPS) has been proven to play a key role in molecular self-
assembly both in vivo and in vitro, and it is of great significance for life science and materials …

Revealing dissolution behavior and thermodynamic properties of tinidazole in 12 mono-solvents based on experiments and molecular simulation

F Wang, Y Liu, H Yan, D Wang, Z Chu, K Li… - Journal of Molecular …, 2022 - Elsevier
The crystal structure and thermodynamic properties of Tinidazole (TNZ), an antiprotozoal
and antibacterial drug, were investigated in the solid phase and liquid phase. The solubility …

Effect of Fluorination on the polymorphism and Photomechanical properties of Cinnamalmalononitrile crystals

TJ Gately, C Cook, R Almuzarie, I Islam… - Crystal Growth & …, 2022 - ACS Publications
Cinnamalmalononitrile (CM) derivatives have been shown to exhibit a strong
photomechanical response in the crystal form. In this paper, the effects of fluorine …

Insights into the Role of Solvents in Nucleation Kinetics of Glutaric Acid from Metastable Zone Widths

S Xu, Y Bu, S Jiang, P Yang… - Industrial & Engineering …, 2021 - ACS Publications
In this paper, the nucleation behavior of glutaric acid (GA) in solvents with different hydrogen-
bond donating (HBD) capabilities was studied using a metastable zone width (MSZW) …

Determination of the solubility profile of isophthalic acid in some aqueous solutions of betaine-based deep eutectic solvents: Study the extent of H-bonding interactions …

P Jafari, M Barzegar-Jalali, S Hemmati… - … Chemistry and Pharmacy, 2023 - Elsevier
The equilibrium solubility of isophthalic acid (IPA) in three aqueous solutions of
betaine/propylene glycol (Bet/PG, 1: 5 M ratio), betaine/ethylene glycol (Bet/EG, 1: 3 M ratio) …

Revealing the molecular mechanism of cosolvency based on thermodynamic phase diagram, molecular simulation, and spectrum analysis: the tolbutamide case

X Li, N Wang, Y Ma, X Ji, Y Huang… - The Journal of …, 2022 - ACS Publications
Cosolvency has been observed in many systems. To reveal the mechanism of cosolvency
from the molecular level, the effects of molecular conformation, supramolecular clusters, and …