Solubility modeling of Levofloxactin hemihydrate in supercritical CO2 green solvent using Soave-Redlich-Kwong EoS and density-based models DOI
Gholamhossein Sodeifian, Hamidreza Bagheri, Hamidreza Aghaei

et al.

Journal of the Taiwan Institute of Chemical Engineers, Journal Year: 2025, Volume and Issue: 173, P. 106156 - 106156

Published: May 1, 2025

Language: Английский

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 DOI
Seyed Ali Sajadian, Hamidreza Bagheri, Pavel Gurikov

et al.

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

Citations

13
Solubility measurement of Ceftriaxone sodium in SC-CO2 and thermodynamic modeling using PR-KM EoS and vdW mixing rules with semi-empirical models DOI Creative Commons
Gholamhossein Sodeifian, Hamidreza Bagheri, Mohsen Ashjari

et al.

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

Citations

9
Study of Baclofen Solubility in Supercritical CO2 with and without Cosolvents: Experimental Analysis, Thermodynamic Evaluation, and Machine Learning Methods DOI
Mohammad Ahmar Khan,

P. J. RODRIGUES,

Sameer A. Awad

et al.

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

Citations

1
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

et al.

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

Citations

1
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

et al.

Measurement, Journal Year: 2025, Volume and Issue: unknown, P. 117508 - 117508

Published: April 1, 2025

Language: Английский

Citations

1
Solubility measurement of Triamcinolone acetonide (steroid medication) in supercritical CO2: Experimental and thermodynamic modeling DOI Open Access
Gholamhossein Sodeifian, Ratna Surya Alwi,

Maryam Arbab Nooshabadi

et al.

The Journal of Supercritical Fluids, Journal Year: 2023, Volume and Issue: 204, P. 106119 - 106119

Published: Nov. 24, 2023

Language: Английский

Citations

20
Prediction of Drug-like Compounds Solubility in Supercritical Carbon Dioxide: A Comparative Study between Classical Density Functional Theory and Machine Learning Approaches DOI
Dmitriy M. Makarov, Nikolai N. Kalikin, Yury A. Budkov

et al.

Industrial & Engineering Chemistry Research, Journal Year: 2024, Volume and Issue: 63(3), P. 1589 - 1603

Published: Jan. 15, 2024

Supercritical carbon dioxide (scCO2) plays an essential role in various technological procedures, making the solubility of drugs scCO2 a crucial aspect drug formulation process. This study focuses on utilizing theoretical approaches to predict drug-like compounds order select optimum parameters for subsequent experimental procedures. Several machine learning models were developed and compared with previously established approach based classical density functional theory (cDFT). The CatBoost model, alvaDesc descriptors, demonstrated reasonably accurate predictions 187 (AARD = 1.8%). Meanwhile, incorporating CDK descriptors melting points as input parameters, exhibited satisfactory accuracy 14.3%) extrapolating new compounds. Comparing results between cDFT-based one revealed, average, higher faster prediction speed former. However, cDFT more physical behavior isotherms models. was particularly evident when ML struggled accurately extrapolate values beyond range supercritical state. Model CatBoost/CDK is freely accessible at http://chem-predictor.isc-ras.ru/individual/scco/.

Language: Английский

Citations

9
Advances of cassava starch-based composites in novel and conventional drug delivery systems: a state-of-the-art review DOI Creative Commons
Sanjoy Das, Malay K. Das, Taison Jamatia

et al.

RSC Pharmaceutics, Journal Year: 2024, Volume and Issue: 1(2), P. 182 - 203

Published: Jan. 1, 2024

Native cassava starch and its derivatives have found great use in the pharmaceutical sector for development of various novel conventional drug delivery carriers.

Language: Английский

Citations

8
Comprehensive study on deep eutectic solvent density based on various EoSs: SRK, PT, VTSRK, sPC-SAFT DOI
Hamidreza Bagheri, Sattar Ghader,

Sarah Abdulameer

et al.

Journal of Molecular Liquids, Journal Year: 2023, Volume and Issue: 393, P. 123627 - 123627

Published: Nov. 20, 2023

Language: Английский

Citations

15
Niclosamide piperazine solubility in supercritical CO2 green solvent: A comprehensive experimental and modeling investigation DOI Creative Commons
Gholamhossein Sodeifian, Hamidreza Bagheri,

Farnoush Masihpour

et al.

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

Published: Dec. 15, 2024

Citations

6