Pharmaceutical hydrates analysis—overview of methods and recent advances

E Jurczak, AH Mazurek, Ł Szeleszczuk, DM Pisklak… - Pharmaceutics, 2020 - mdpi.com
This review discusses a set of instrumental and computational methods that are used to
characterize hydrated forms of APIs (active pharmaceutical ingredients). The focus has been …

Periodic DFT calculations—review of applications in the pharmaceutical sciences

AH Mazurek, Ł Szeleszczuk, DM Pisklak - Pharmaceutics, 2020 - mdpi.com
In the introduction to this review the complex chemistry of solid-state pharmaceutical
compounds is summarized. It is also explained why the density functional theory (DFT) …

Continuum crystallization model derived from pharmaceutical crystallization mechanisms

Y Tsarfati, I Biran, E Wiedenbeck, L Houben… - ACS central …, 2021 - ACS Publications
The crystallization mechanisms of organic molecules in solution are not well-understood.
The mechanistic scenarios where crystalline order evolves directly from the molecularly …

Spherical Agglomerates of m-Aminobenzoic Acid: Solvent Selection, Preparation, Mechanism, and Characterization

Y Xiao, L Wang, Z Tuo, Y Gao, P Zhao… - Industrial & …, 2021 - ACS Publications
Solvents for spherical agglomerates preparation are usually selected according to the
Lifshitz–van der Waals acid–base theory with negative adhesion free energies. However …

Investigating the solvent effect on crystal nucleation of etoricoxib

Y Chai, L Wang, Y Bao, R Teng, Y Liu… - Crystal Growth & …, 2019 - ACS Publications
Induction time measurement experiments for etoricoxib (ETR) were carried out in four
solvents. The results suggest the crystal nucleation of ETR becomes increasingly more …

Understanding the role of solvent polarity in the molecular self-assembly process of etoricoxib solvates

F Zhang, L Wang, W Fang, Y Liu, P Shi… - Crystal Growth & …, 2020 - ACS Publications
In this paper, a comprehensive study of the solid and solution chemistry of etoricoxib (ETR)
was conducted through the combined experimental identification and theoretical calculation …

Exploring solid form landscape of anticancer drug dimethylaminomicheliolide fumarate: crystal structures analysis, phase transformation behavior, and …

Z Li, L Wang, Y Wang, S Wu, J Gong - Crystal Growth & Design, 2021 - ACS Publications
Brain tumors are still the deadliest among all types of cancer even after decades of
extensive research. Glioblastoma is the most common and aggressive form of primary …

Establishing the analogy between hydrates and peroxosolvates: Cambridge Structural Database analysis of pyridyl hydrates yields new peroxosolvates

TA Bramlett, LM Foroughi, AJ Matzger - Crystal Growth & Design, 2023 - ACS Publications
Non-covalent interactions are critical components in the synthetic toolbox to modulate self-
assembly processes and molecular recognition. Hydrogen bonding is most commonly …

Tableting process-induced solid-state polymorphic transition

H Park, JS Kim, S Hong, ES Ha, H Nie, QT Zhou… - Journal of …, 2022 - Springer
Background Polymorphism is that a substance exists into more than two crystalline forms
with different molecular arrangements and/or conformations. It has been reported that the …

Elucidating the dehydration mechanism of ondansetron hydrochloride dihydrate with a crystal structure

R Mizoguchi, H Uekusa - Crystal Growth & Design, 2018 - ACS Publications
In drug development, evaluating the stability of the hydrate is particularly important because
changes in the hydration state could cause alterations of the physicochemical properties. In …