Universal data-driven models to estimate the solubility of anti-cancer drugs in supercritical carbon dioxide: Correlation development and machine learning modeling DOI Creative Commons
Farag M. A. Altalbawy,

Nadhir N.A. Jafar,

Dharmesh Sur

и другие.

Journal of CO2 Utilization, Год журнала: 2025, Номер 92, С. 103021 - 103021

Опубликована: Янв. 13, 2025

Язык: Английский

Black carbon emissions persistence: Evidence from 27 European Union countries using fractional integration DOI Creative Commons
Sakiru Adebola Solarin, Luis A. Gil‐Alana, María Goenechea

и другие.

Renewable and Sustainable Energy Reviews, Год журнала: 2025, Номер 212, С. 115327 - 115327

Опубликована: Янв. 25, 2025

Язык: Английский

Процитировано

0

Solubility of gemcitabine (an anticancer drug) in supercritical carbon dioxide green solvent: Experimental measurement and thermodynamic modeling DOI Creative Commons
Gholamhossein Sodeifian, Masturah Markom, Jarinah Mohd Ali

и другие.

Scientific Reports, Год журнала: 2025, Номер 15(1)

Опубликована: Фев. 6, 2025

In order to develop supercritical fluid (SCF) processes for the micro or nanosizing of solid solute components, such as pharmaceuticals, it is essential assess their solubility in solvents including carbon dioxide (SC–CO2). This crucial step fundamental choosing and evaluating SCF technology. A statistical method was developed used determine gemcitabine SC-CO2. The measurements at various pressures temperatures were conducted using UV–vis analysis. Two model types correlate data: semi-empirical (with 3–6 parameters) equation state (EoS) models. SC-CO2 a static 308–338 K 120–270 bar measured modeled first time. Solubility ranged from 0.1274 × 10− 5 1.8128 mole fraction 0.00295 0.08489 kg/L. PR EoS performed best 308 with an AARD 12.58%, SRK excelled 318–338 AARDs between 12.93 15.68%. Application Joback (AARD 12.04–27.13%) COSMO-RS 18.68–31.28%) models also compared. Bian et al. showed fit among density-based 16.62%.

Язык: Английский

Процитировано

0

Determination of 5-fluorouracil anticancer drug solubility in supercritical CO2using semi-empirical and machine learning models DOI Creative Commons
Gholamhossein Sodeifian, Ratna Surya Alwi,

Reza Derakhsheshpour

и другие.

Scientific Reports, Год журнала: 2025, Номер 15(1)

Опубликована: Фев. 7, 2025

In order to provide the facilities design supercritical fluid (SCF) processes for micro or nanosizing of solid solute compounds such as drugs, it is essential obtain their solubility in green solvents like pressurized CO2. This important role first stage assessing each SCF technology. A statistical method was developed time and employed determine 5-fluorouracil (5-Fu) solubility. The measurements were performed at different pressures (120-270 bar) temperatures (308-338 K) through UV-vis spectrophotometry, time. obtained between 0.0024 0.0176 g/L. 5-Fu mole fraction constant temperature, increases with an increase pressure. Whereas, a crossover point has been seen. Three models approaches applied correlate model experimental data set: (i) seven density-based models, (ii) PR equations state (vdW2 mixing rule), (iii) machine learning-based namely non-linear regressions, Random Forest, Gradient Boosting, Decision Tree, Kernel Ridge. All tested successfully within acceptable accuracy. Meanwhile, empirical suggested by Sodeifian 2, superior lowest AARD% (AARD = 4.12%). Finally, total, solvation, vaporization enthalpies drug/Sc-CO2 binary system determined using semi-empirical correlations,

Язык: Английский

Процитировано

0

Application of theoretical and semi-empirical equations for modeling of Maprotiline hydrochloride (anti-depressant) drug solubility in SC-CO2 DOI
Hamidreza Bagheri, Hassan Hashemipour,

Shaxnoza Saydaxmetova

и другие.

Measurement, Год журнала: 2025, Номер unknown, С. 117508 - 117508

Опубликована: Апрель 1, 2025

Язык: Английский

Процитировано

0

Universal data-driven models to estimate the solubility of anti-cancer drugs in supercritical carbon dioxide: Correlation development and machine learning modeling DOI Creative Commons
Farag M. A. Altalbawy,

Nadhir N.A. Jafar,

Dharmesh Sur

и другие.

Journal of CO2 Utilization, Год журнала: 2025, Номер 92, С. 103021 - 103021

Опубликована: Янв. 13, 2025

Язык: Английский

Процитировано

0