Solubilization and thermodynamic properties of simvastatin in various micellar solutions of different non-ionic surfactants: Computational modeling and solubilization capacity

The aim of this work was to solubilize simvastatin (SIM) using different micellar solutions of various non-ionic surfactants such as Tween-80 (T80), Tween-20 (T20), Myrj-52 (M52), Myrj-59 (M59), Brij-35 (B35) and Brij-58 (B58). The solubility of SIM in water (H2O) and different micellar concentratio...

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Published in:PloS one 2021-04, Vol.16 (4), p.e0249485
Main Authors: Shakeel, Faiyaz, Alshehri, Sultan, Ibrahim, Mohamed A, Altamimi, Mohammad, Haq, Nazrul, Elzayat, Ehab M, Shazly, Gamal A
Format: Article
Language:English
Subjects:
Acetic acid
Acetone
Aqueous solutions
Atmospheric models
Atmospheric pressure
Butyl acetate
Calibration
Chemical properties
Chromatography
Computer and Information Sciences
Computer applications
Computer simulation
Computer-generated environments
Drug delivery systems
Drugs
Engineering and Technology
Ethanol
Ethyl acetate
Lovastatin
Measurement
Micelles
Molecular structure
Organic solvents
Pharmaceutical sciences
Pharmacy
Physical Sciences
Pollutants
Research and Analysis Methods
Simvastatin
Simvastatin - chemistry
Solubility
Solubilization
Solutions
Surface-Active Agents - chemistry
Surfactants
Temperature
Temperature dependence
Thermal properties
Thermodynamic properties
Thermodynamics
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cited_by cdi_FETCH-LOGICAL-c692t-91075c874264ef7b2032d80abd72f1f721f2eefdc1e4a7692ecf7691525d45d73
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Alshehri, Sultan
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Altamimi, Mohammad
Haq, Nazrul
Elzayat, Ehab M
Shazly, Gamal A
description The aim of this work was to solubilize simvastatin (SIM) using different micellar solutions of various non-ionic surfactants such as Tween-80 (T80), Tween-20 (T20), Myrj-52 (M52), Myrj-59 (M59), Brij-35 (B35) and Brij-58 (B58). The solubility of SIM in water (H2O) and different micellar concentrations of T80, T20, M52, M59, B35 and B58 was determined at temperatures T = 300.2 K to 320.2 K under atmospheric pressure p = 0.1 MPa using saturation shake flask method. The experimental solubility data of SIM was regressed using van't Hoff and Apelblat models. The solubility of SIM (mole fraction) was recorded highest in M59 (1.54 x 10-2) followed by M52 (6.56 x 10-3), B58 (5.52 x 10-3), B35 (3.97 x 10-3), T80 (1.68 x 10-3), T20 (1.16 x 10-3) [the concentration of surfactants was 20 mM in H2O in all cases] and H2O (1.94 x 10-6) at T = 320.2 K. The same results were also recorded at each temperature and each micellar concentration of T80, T20, M52, M59, B35 and B58. "Apparent thermodynamic analysis" showed endothermic and entropy-driven dissolution/solubilization of SIM in H2O and various micellar solutions of T80, T20, M52, M59, B35 and B58.
doi_str_mv 10.1371/journal.pone.0249485
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The solubility of SIM in water (H2O) and different micellar concentrations of T80, T20, M52, M59, B35 and B58 was determined at temperatures T = 300.2 K to 320.2 K under atmospheric pressure p = 0.1 MPa using saturation shake flask method. The experimental solubility data of SIM was regressed using van't Hoff and Apelblat models. The solubility of SIM (mole fraction) was recorded highest in M59 (1.54 x 10-2) followed by M52 (6.56 x 10-3), B58 (5.52 x 10-3), B35 (3.97 x 10-3), T80 (1.68 x 10-3), T20 (1.16 x 10-3) [the concentration of surfactants was 20 mM in H2O in all cases] and H2O (1.94 x 10-6) at T = 320.2 K. The same results were also recorded at each temperature and each micellar concentration of T80, T20, M52, M59, B35 and B58. 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subjects Acetic acid
Acetone
Aqueous solutions
Atmospheric models
Atmospheric pressure
Butyl acetate
Calibration
Chemical properties
Chromatography
Computer and Information Sciences
Computer applications
Computer simulation
Computer-generated environments
Drug delivery systems
Drugs
Engineering and Technology
Ethanol
Ethyl acetate
Lovastatin
Measurement
Micelles
Molecular structure
Organic solvents
Pharmaceutical sciences
Pharmacy
Physical Sciences
Pollutants
Research and Analysis Methods
Simvastatin
Simvastatin - chemistry
Solubility
Solubilization
Solutions
Surface-Active Agents - chemistry
Surfactants
Temperature
Temperature dependence
Thermal properties
Thermodynamic properties
Thermodynamics
title Solubilization and thermodynamic properties of simvastatin in various micellar solutions of different non-ionic surfactants: Computational modeling and solubilization capacity
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