Determination of Gefitinib hydrochloride anti-cancer drug solubility in supercritical CO2: Evaluation of sPC-SAFT EoS and semi-empirical models

Journal of the Taiwan Institute of Chemical Engineers, Год журнала: 2024, Номер 161, С. 105569 - 105569

Опубликована: Май 27, 2024

Язык: Английский

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Studying the rifampin solubility in supercritical CO2 with/without co-solvent: Experimental data, modeling and machine learning approach

The Journal of Supercritical Fluids, Год журнала: 2025, Номер unknown, С. 106510 - 106510

Опубликована: Янв. 1, 2025

Язык: Английский

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A new method based on binary mixture concept for prediction of ionic liquids critical properties using molecular dynamics simulation

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

Опубликована: Март 4, 2025

All substances exhibit complex behavior near their critical points, where even slight variations in temperature and pressure can lead to significant changes density, heat capacity, compressibility. This rapid variation results a loss of surface energy maximizes the compressibility capacity fluids at point. study employed molecular dynamics (MD) simulations based on binary mixture concept predict properties ionic liquids (ILs) that are difficult measure experimentally. Initially, validate this method, we investigated density pure water, ethanol, across different temperatures pressures, specifically phase transition, critical, supercritical points. Then, these were studied for [C4mim][BF4] IL its The water-ethanol compared with experimental data. simulation revealed points resembles three middle point represents mixture's predicted 1400 ± 10 K 11 0.5 bar, respectively.

Язык: Английский

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Application of theoretical and semi-empirical equations for modeling of Maprotiline hydrochloride (anti-depressant) drug solubility in SC-CO2

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

Опубликована: Апрель 1, 2025

Язык: 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, Год журнала: 2024, Номер 61, С. 105074 - 105074

Опубликована: Сен. 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

Язык: Английский

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Nano-particles size measurement based on semantic segmentation via convolution neural network

Measurement, Год журнала: 2024, Номер 240, С. 115513 - 115513

Опубликована: Авг. 22, 2024

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

Journal of CO2 Utilization, Год журнала: 2024, Номер 91, С. 102995 - 102995

Опубликована: Дек. 15, 2024

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Comprehensive study of medications solubility in supercritical CO2 with and without co-solvent; Laboratory, theoretical, and intelligent approaches

Journal of Molecular Liquids, Год журнала: 2024, Номер 411, С. 125765 - 125765

Опубликована: Авг. 13, 2024

Язык: Английский

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New solubility data of Amoxapine (anti-depressant) drug in supercritical CO2: Application of cubic EoSs

Journal of Drug Delivery Science and Technology, Год журнала: 2024, Номер unknown, С. 106281 - 106281

Опубликована: Окт. 1, 2024

Язык: Английский

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Theoretical Understanding of Pharmaceutics Solubility in Supercritical CO2; Thermodynamic Modeling and Machine learning study

The Journal of Supercritical Fluids, Год журнала: 2025, Номер unknown, С. 106605 - 106605

Опубликована: Апрель 1, 2025

Язык: Английский

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