Micro and nanosizing of Tamsulosin drug via supercritical CO2 antisolvent (SAS) process

Journal of CO2 Utilization, Journal Year: 2024, Volume and Issue: 84, P. 102847 - 102847

Published: June 1, 2024

Supercritical anti-solvent (SAS) method is a solvent-free approach where supercritical carbon dioxide (SC-CO2) used as and one can control the output particle size without disturbing nature of particles. The primary objective this study to develop SAS for production Tamsulosin (TML) nanoparticles investigate parameters affecting resultant size. In order optimize nano-sized particles, response surface methodology (RSM) based on Box-Behnken design (BBD (was used. Using dynamic light scattering (DLS) scanning electron microscopy (SEM) analyses, morphologies mean diameter ranges were examined. To look into how process affects TML's chemical physical characteristics, Fourier-transform infrared spectroscopy (FT–IR), X-ray diffraction analysis (XRD) differential calorimetry (DSC) further performed. acquired results demonstrated that pressure imposes largest impact TML production, with exhibiting an inverse correlation pressure. Observations indicated increase in increasing temperature from 35 50 °C. By flow rate drug solution, average exhibited initial decrease followed by trend. Results optimization showed at pressure, temperature, injection 25 MPa, 41.3 °C, 2.9 mL/min, respectively, particles shrink 600 nm.

Language: Английский

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Application of machine learning approach to estimate the solubility of some solid drugs in supercritical CO2

Scientific Reports, Journal Year: 2025, Volume and Issue: 15(1)

Published: Feb. 12, 2025

Accurate estimation of the solubility solid drugs (SDs) in supercritical carbon dioxide (SC-CO2) plays an essential role related technologies. In this study, artificial intelligence models (AIMs) by gene expression programming (GEP) and adaptive neuro-fuzzy inference system (ANFIS) methods were applied to estimate SDs SC-CO2. Hence, a comprehensive database (1816 datasets) comprising operational conditions (T, P) wide ranges (308–348.2 K 80–400 bar), SD's molecular weight (MWSDs), melting point (MPSDs) gathered. Investigation analysis models' strength showed that model developed ANFIS exhibited more satisfactory approximation than GEP model. According optimized model, statistical parameters R2, RMSE, MAE, AARD% obtained, equivalent 0.991, 0.260, 0.167, 13.890% for training 0.990, 0.256, 0.157, 15.273% validation, order. Sensitivity highest effect independent variables on calculating SC-CO2 belong MWSDs, P, MPSDs, T, respectively. Therefore, MWSDs is key factor modeling various Comparing estimated results obtained from AIM with previous semi-empirical AIMs could be accurate

Language: Английский

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Determination of 5-fluorouracil anticancer drug solubility in supercritical CO2using semi-empirical and machine learning models

Scientific Reports, Journal Year: 2025, Volume and Issue: 15(1)

Published: Feb. 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,

Language: Английский

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Solubility Measurement and Correlation of Alprazolam in Carbon Dioxide with/without Ethanol at Temperatures from 308 to 338 K and Pressures from 120 to 300 bar

Journal of Chemical & Engineering Data, Journal Year: 2024, Volume and Issue: 69(4), P. 1718 - 1730

Published: March 28, 2024

This research investigated the solubility of alprazolam in supercritical carbon dioxide (scCO2) with addition ethanol as a cosolvent. The was examined at various pressures (ranging from 120 to 300 bar) and temperatures 308 338 K). scCO2 ranged 0.027 × 10–4 0.632 10–4. When used cosolvent, increased range 0.157 1.660 (with 1 mol % ethanol) 0.449 3.167 3 ethanol). Under specified operating parameters, highest achieved ternary system bar K. 16.63 times higher than when using pure under same circumstances. Several semiempirical correlations were compute dioxide. These models yielded similar average absolute relative deviations ranging 7.0 8.40%. findings demonstrated superiority Kumar–Johnston model binary systems an deviation 7.0%) Garlapati–Madras 6.19%) compared alternative models.

Language: Английский

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Solubility measurement of Ceftriaxone sodium in SC-CO2 and thermodynamic modeling using PR-KM EoS and vdW mixing rules with semi-empirical models

Case Studies in Thermal Engineering, Journal Year: 2024, Volume and Issue: 61, P. 105074 - 105074

Published: Sept. 1, 2024

The complete investigation of the solubility Ceftriaxone sodium drug has not yet been conducted. This communication investigates in supercritical CO2 (SC-CO2) for first time. measurements were performed using utilizing UV-vis analysis under different operation conditions (at P (bar) = 120-270 and T (K) 308-338). results demonstrated that ranged from 0.90 × 10-6 to 8.01 10-6. mole fraction increases proportionally with an increase pressure, while maintaining a constant temperature. However, crossover was noted. behavior SC-CO2 modeled by Peng-Robinson equation state (PR EoS) Kwak-Mansoori van der Waals mixing rules seven semi-empirical correlations (Bian et al., Kumar-Johnston, Chrastil, Garlapati-Madras, Bartle Sung-Shim Sodeifian al.,). vaporization, total solvation enthalpies sodium/SC-carbon dioxide system obtained KJ, al. correlations. evaluation two methods absolute average relative deviation (AARD%). Both models exhibited satisfactory level agreement experimental data. Finally, PR/KM EoS Chrastil models, AARD% values 8.70% 8.10% respectively, showed superior precision accurately fitting

Language: Английский

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Universal data-driven models to estimate the solubility of anti-cancer drugs in supercritical carbon dioxide: Correlation development and machine learning modeling

Journal of CO2 Utilization, Journal Year: 2025, Volume and Issue: 92, P. 103021 - 103021

Published: Jan. 13, 2025

Language: Английский

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Study of Baclofen Solubility in Supercritical CO₂ with and without Cosolvents: Experimental Analysis, Thermodynamic Evaluation, and Machine Learning Methods

Journal of Chemical & Engineering Data, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 15, 2025

This study investigates the solubility of Baclofen in supercritical CO2, which is essential for developing an efficient drug delivery system using processes. Solubility measurements were carried out both with and without presence various cosolvents (ethanol dimethyl sulfoxide (DMSO)), across a temperature range 308–338 K pressure 12–30 MPa. exhibited ranging from 1.62 × 10–5 to 2.30 mole fractions pure CO2. In cosolvents, increased 5.76 12.79 ethanol 3.50 7.02 DMSO. Indeed, addition DMSO by approximately 3.55–5.56 times 2.15–3.05 times, respectively. Several density-based empirical models thermodynamic (Soave–Redlich–Kwong (SRK) Peng–Robinson (PR) equations state) used correlate data. Jafari Nejad's model CO2–Baclofen Jouyban's CO2–ethanol/DMSO–Baclofen systems displayed higher consistency. Also, PR showed better accuracy correlating while SRK outperformed CO2–ethanol/DMSO cosolvents. Moreover, machine learning exceptional accuracy, over 99% predictions closely matching experimental data, emphasizing its outstanding performance.

Language: Английский

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Solubility of gemcitabine (an anticancer drug) in supercritical carbon dioxide green solvent: Experimental measurement and thermodynamic modeling

Scientific Reports, Journal Year: 2025, Volume and Issue: 15(1)

Published: Feb. 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%.

Language: Английский

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Determination of morphine sulfate anti-pain drug solubility in supercritical CO2 with machine learning method

Scientific Reports, Journal Year: 2024, Volume and Issue: 14(1)

Published: Sept. 27, 2024

Language: Английский

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Niclosamide piperazine solubility in supercritical CO2 green solvent: A comprehensive experimental and modeling investigation

Journal of CO2 Utilization, Journal Year: 2024, Volume and Issue: 91, P. 102995 - 102995

Published: Dec. 15, 2024

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