Employment of artificial intelligence approach for optimizing the solubility of drug in the supercritical CO2 system DOI Creative Commons

Meixiuli Li,

Wenyan Jiang, Shuang Zhao

et al.

Case Studies in Thermal Engineering, Journal Year: 2024, Volume and Issue: 57, P. 104326 - 104326

Published: March 31, 2024

This paper investigates the solubility behavior of digitoxin in supercritical carbon dioxide (CO2) through a comprehensive analysis employing ensemble learning techniques and various regression models. The dataset consists temperature pressure as input variables, with solvent density output variables. Utilizing bagging method, Gaussian process (GPR), Bayesian Ridge Regression (BRR), Orthogonal Matching Pursuit (OMP), Polynomial (PR) were employed Hyper-parameter tuning was achieved gradient-based optimization. Results revealed that emerges most effective model for predicting both solubility. For prediction, BAG-PR yields an R2 score 0.98527, MSE MAE 1.4290E-03 3.40547E-02, respectively. Concerning density, achieves outstanding 0.99766, along 7.4759E+01 7.33964E+00, These results show learning, polynomial can accurately predict revealing digitoxin's CO2.

Language: Английский

Inhibitory effects of carbohydrazide indole derivative on micro-blood vessel growth using ex vivo, in vivo, and in vitro assays DOI

Bayan Jamal Khaleel,

H. Salman, Haitham Mahmood Kadhim

et al.

In Vitro Cellular & Developmental Biology - Animal, Journal Year: 2025, Volume and Issue: unknown

Published: March 6, 2025

Language: Английский

Citations

3

Protective effect of orientin on diabetic nephropathy in rat models of high-fat diet and streptozotocin-induced diabetes DOI

Raad Saad Luty,

Adeeb Ahmed Al-Zubaidy,

Arif Sami Malik

et al.

Naunyn-Schmiedeberg s Archives of Pharmacology, Journal Year: 2025, Volume and Issue: unknown

Published: March 4, 2025

Language: Английский

Citations

2

Determination of Gefitinib hydrochloride anti-cancer drug solubility in supercritical CO2: Evaluation of sPC-SAFT EoS and semi-empirical models DOI
Gholamhossein Sodeifian, Hamidreza Bagheri,

Mohammadreza Bargestan

et al.

Journal of the Taiwan Institute of Chemical Engineers, Journal Year: 2024, Volume and Issue: 161, P. 105569 - 105569

Published: May 27, 2024

Language: Английский

Citations

15

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

A new method based on binary mixture concept for prediction of ionic liquids critical properties using molecular dynamics simulation DOI Creative Commons
Ali Mohebbi,

Zahra Jayhani,

Hossein Dorrani

et al.

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

Published: March 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.

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

The Possible effect of Bosentan on the methotrexate-induced salivary gland changes in male rats: histological and Immunohistochemical study DOI
Rana Khairi Attarbashee, Heba F. Hamodat, Jawnaa Mammdoh

et al.

Toxicology Research, Journal Year: 2024, Volume and Issue: 14(1)

Published: Dec. 31, 2024

Abstract Methotrexate (MTX) is an antimetabolite drug utilized for managing a variety of cancers and autoinflammatory conditions. MTX may trigger detrimental effects in mout, h tissues, including salivary gland impairment. Bosentan (BOS), that blocks endothelin receptors, has strengthened antioxidant, anti-inflammatory, anti-apoptotic properties. The study aimed to estimate the protective effect BOS on MTX-exacerbated changes Wistar Albino rats. Thirty male rats were arbitrarily sorted into three groups ten animals each. control group received normal saline 18 days. (induction) (25 mg/kg) intraperitoneally 7th day experiment once daily 6 consecutive + (50 orally days: days before induction, 2-h after post-induction. Animals euthanized 19, tissues dissected biochemical, histopathological, immunohistochemical analyses. dramatically improved MTX-aggravated biochemical histopathological abnormalities, as evidenced by diminished Bax, caspase 3, TNF-α, IL-1β, MDA, MPO levels, increased SOD, GSH, GPX reduced degenerative granular convolute tubule, mucous acini, striate duct. further substantially upregulated MTX-induced decline Ki-67 Bcl-2, indicated immunohistochemistry scoring methods. anti-oxidative, ant-inflammatory, antiapoptotic properties are promising strategy ameliorating toxic submandibular glandular tissues.

Language: Английский

Citations

8

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

Roxana Zahedi,

Hamidreza Bagheri, Fahimeh Ghasemian

et al.

Measurement, Journal Year: 2024, Volume and Issue: 240, P. 115513 - 115513

Published: Aug. 22, 2024

Citations

6

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

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

Mina Tabebordbar,

Hamidreza Bagheri,

Munthar Kadhim Abosaoda

et al.

Journal of Drug Delivery Science and Technology, Journal Year: 2024, Volume and Issue: unknown, P. 106281 - 106281

Published: Oct. 1, 2024

Language: Английский

Citations

4