[HTML][HTML] Density functional theory predictions of the mechanical properties of crystalline materials

E Kiely, R Zwane, R Fox, AM Reilly, S Guerin - CrystEngComm, 2021 - pubs.rsc.org
The mechanical properties of crystalline materials are crucial knowledge for their screening,
design, and exploitation. Density functional theory (DFT), remains one of the most effective …

[HTML][HTML] Mechanical and thermophysical properties of energetic crystals: evaluation methods and recent achievements

JD Quansah, X Zhang, Q Wasiullah, Q Yan - FirePhysChem, 2023 - Elsevier
The mechanical properties of energetic crystals (ECs) are relevant to the safety and
performance of ammunitions and propellants. Several experimental and theoretical …

Cocrystallization: cutting edge tool for physicochemical modulation of active pharmaceutical ingredients

N Kumari, A Ghosh - Current Pharmaceutical Design, 2020 - ingentaconnect.com
Cocrystallization is a widely accepted and clinically relevant technique that has prospered
very well over the past decades to potentially modify the physicochemical properties of …

[HTML][HTML] Improved solubility and dissolution rates in novel multicomponent crystals of piperine with succinic acid

E Zaini, Afriyani, L Fitriani, F Ismed, A Horikawa… - Scientia …, 2020 - mdpi.com
The objectives of this study were to prepare and characterize a novel piperine–succinic acid
multicomponent crystal phase and to evaluate the improvement in the solubility and …

Advanced methodologies for pharmaceutical salt synthesis

MS Hossain Mithu, S Economidou, V Trivedi… - Crystal Growth & …, 2021 - ACS Publications
Pharmaceutical salt formation is the most preferred and effective method to enhance the
physicochemical properties of an active pharmaceutical ingredient (API) such as solubility …

Reliability of the Hansen solubility parameters as co-crystal formation prediction tool

S Nagy, S Pál, A Széchenyi - International journal of pharmaceutics, 2019 - Elsevier
Pharmaceutical co-crystals present an opportunity to improve the solubility of conventional
active pharmaceutical ingredients (APIs). Despite advances in co-crystal screening, the …

Application of multivariate adaptive regression splines (MARSplines) Methodology for screening of dicarboxylic acid cocrystal using 1D and 2D molecular descriptors

M Przybyłek, T Jeliński, J Słabuszewska… - Crystal Growth & …, 2019 - ACS Publications
Dicarboxylic acids (DiAs) are probably among of the most popular cocrystal formers. Due to
the high hydrophilicity and nontoxicity, they are promising solubilizers of active …

Simultaneous improvement of epalrestat photostability and solubility via cocrystallization: a case study

OD Putra, D Umeda, YP Nugraha, K Nango… - Crystal Growth & …, 2018 - ACS Publications
In this study, we attempt to simultaneously improve the photostability and solubility of
epalrestat (a drug used for neuropathy treatment) by preparing epalrestat–betaine …

[HTML][HTML] Solubility improvement of benexate through salt formation using artificial sweetener

O Dwichandra Putra, D Umeda, E Fujita, T Haraguchi… - Pharmaceutics, 2018 - mdpi.com
Benexate, a drug used clinically as a defensive type anti-ulcer agent, has poor solubility and
a bitter taste. To improve its solubility, a crystal engineering approach was proposed with the …

[HTML][HTML] Modulation of the powder properties of lamotrigine by crystal forms

ON Kavanagh, C Wang, GM Walker, CC Sun - International journal of …, 2021 - Elsevier
The mechanical properties of powders determine the ease of manufacture and ultimately the
quality of the oral solid dosage forms. Although poor mechanical properties of an active …