Influence of high pressure on the solubility of ribavirin in six pure solvents from 283.15 to 323.15 K

Feng, Yaoguang; Hao, Hongxun; Tian, Beiqian; Chen, Kui; Wang, Na; Wang, Ting; Huang, Xin

doi:10.1016/j.jct.2022.106897

Cited by 4 publications

(2 citation statements)

References 36 publications

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“…The solubility data correlated with these three models are also listed in Table together with the experimental data. The fitting accuracy of these three models were assessed by employing the average relative deviation ( ARD ) and the root-mean-square deviations ( RMSD ), whose equations are shown below: A R D = 1 N ∑ i = 1 N | x i , cal − x i , exp x i , exp | R M S D = true[ 1 N ∑ i = 1 N false( x i , cal − x i , exp false) 2 true] 1 / 2 where x i ,cal and x i ,exp stand for the calculated and experimental mole fraction solubility of APZ, respectively. N represents the number of experimental data.…”

Section: Resultsmentioning

confidence: 99%

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The Effect of Intermolecular Interactions on the Dissolution Property of Aripiprazole

Zheng,

Huang,

Gao

et al. 2024

Crystal Growth & Design

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The measurement and prediction of solubilities of active pharmaceutical ingredients are crucial in the development of polymorphism and the crystallization process. In this work, the solubilities of aripiprazole (APZ) in 11 pure solvents were measured and correlated over the temperature range 293.15−333.15 K. It was found that in all studied solvents, the solubility of APZ increased with the increasing temperature throughout the entire investigated temperature range. In addition, the mixing and dissolution thermodynamic properties of APZ in 11 pure solvents were also calculated. The calculation results indicated that both the mixing and the dissolution processes of APZ are spontaneous. Moreover, the intermolecular interactions in APZ solutions were investigated by molecular surface electrostatic potential analysis, independent gradient model based on Hirshfeld partition analysis, and molecular dynamics simulations. The results showed that the van der Waals interactions had a significantly greater effect on the dissolution process of APZ than did the hydrogen bond interactions. The solubility of APZ was controlled by a combination of the relative magnitude of the newly formed solute−solvent intermolecular interactions and the solvent−solvent intermolecular interactions that were disrupted due to the addition of solute. Finally, a physical quantity, dissolution-driven energy (E dis-driven ), was proposed to predict the APZ dissolution tendency in different pure solvents, which was able to characterize the solubility orders of APZ in different pure solvents almost perfectly.

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Section: Resultsmentioning

confidence: 99%

“…The solubility data correlated with these three models are also listed in Table2together with the experimental data. The fitting accuracy of these three models were assessed by employing the average relative deviation (ARD) and the root-mean-square deviations (RMSD), whose equations are shown below:59…”

mentioning

confidence: 99%