Cargando…

Intermolecular Interactions of Edaravone in Aqueous Solutions of Ethaline and Glyceline Inferred from Experiments and Quantum Chemistry Computations

Edaravone, acting as a cerebral protective agent, is administered to treat acute brain infarction. Its poor solubility is addressed here by means of optimizing the composition of the aqueous choline chloride (ChCl)-based eutectic solvents prepared with ethylene glycol (EG) or glycerol (GL) in the th...

Descripción completa

Detalles Bibliográficos
Autores principales:	Cysewski, Piotr, Jeliński, Tomasz, Przybyłek, Maciej
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9863297/ https://www.ncbi.nlm.nih.gov/pubmed/36677688 http://dx.doi.org/10.3390/molecules28020629

Ejemplares similares

Application of the Solute–Solvent Intermolecular Interactions as Indicator of Caffeine Solubility in Aqueous Binary Aprotic and Proton Acceptor Solvents: Measurements and Quantum Chemistry Computations
por: Jeliński, Tomasz, et al.
Publicado: (2022)

Intermolecular Interactions as a Measure of Dapsone Solubility in Neat Solvents and Binary Solvent Mixtures
por: Cysewski, Piotr, et al.
Publicado: (2023)

Exploring the Solubility Limits of Edaravone in Neat Solvents and Binary Mixtures: Experimental and Machine Learning Study
por: Przybyłek, Maciej, et al.
Publicado: (2023)

New Insights into Thermodynamics of Solutes in Neat and Complex Solvents
por: Cysewski, Piotr, et al.
Publicado: (2022)

Solubility Characteristics of Acetaminophen and Phenacetin in Binary Mixtures of Aqueous Organic Solvents: Experimental and Deep Machine Learning Screening of Green Dissolution Media
por: Cysewski, Piotr, et al.
Publicado: (2022)

Natural Deep Eutectic Solvents as Agents for Improving Solubility, Stability and Delivery of Curcumin
por: Jeliński, Tomasz, et al.
Publicado: (2019)

Application of COSMO-RS-DARE as a Tool for Testing Consistency of Solubility Data: Case of Coumarin in Neat Alcohols
por: Cysewski, Piotr, et al.
Publicado: (2022)

Finding the Right Solvent: A Novel Screening Protocol for Identifying Environmentally Friendly and Cost-Effective Options for Benzenesulfonamide
por: Cysewski, Piotr, et al.
Publicado: (2023)

Thermodynamics and Intermolecular Interactions of Nicotinamide in Neat and Binary Solutions: Experimental Measurements and COSMO-RS Concentration Dependent Reactions Investigations
por: Cysewski, Piotr, et al.
Publicado: (2021)

Solvent Screening for Solubility Enhancement of Theophylline in Neat, Binary and Ternary NADES Solvents: New Measurements and Ensemble Machine Learning
por: Cysewski, Piotr, et al.
Publicado: (2021)

Experimental and Theoretical Study on Theobromine Solubility Enhancement in Binary Aqueous Solutions and Ternary Designed Solvents
por: Jeliński, Tomasz, et al.
Publicado: (2021)

Structural, Thermodynamic, and Transport Properties of Aqueous Reline and Ethaline Solutions from Molecular Dynamics Simulations
por: Celebi, Alper T., et al.
Publicado: (2019)

Thermodynamic Characteristics of Phenacetin in Solid State and Saturated Solutions in Several Neat and Binary Solvents
por: Przybyłek, Maciej, et al.
Publicado: (2021)

Collagen Type II—Chitosan Interactions as Dependent on Hydroxylation and Acetylation Inferred from Molecular Dynamics Simulations
por: Przybyłek, Maciej, et al.
Publicado: (2022)

Application of a computational model of natural deep eutectic solvents utilizing the COSMO-RS approach for screening of solvents with high solubility of rutin
por: Jeliński, Tomasz, et al.
Publicado: (2018)

Stabilizers of edaravone aqueous solution and their action mechanisms. 2. Glutathione
por: Tanaka, Masahiko, et al.
Publicado: (2017)

Quantification of Caffeine Interactions in Choline Chloride Natural Deep Eutectic Solvents: Solubility Measurements and COSMO-RS-DARE Interpretation
por: Jeliński, Tomasz, et al.
Publicado: (2022)

Computational studies of intermolecular interactions in aqueous solutions of poly(vinylmethylether)
por: Saramak, J., et al.
Publicado: (2014)

Stabilizers of edaravone aqueous solution and their action mechanisms. 1. Sodium bisulfite
por: Tanaka, Masahiko, et al.
Publicado: (2017)

Experimental and Theoretical Screening for Green Solvents Improving Sulfamethizole Solubility
por: Cysewski, Piotr, et al.
Publicado: (2021)

Structure and Intermolecular Interactions in Aqueous Solutions of Polyethylene Glycol
por: Almásy, László, et al.
Publicado: (2022)

Application of alizarin colorimetric measurements for quantification of amine extraction by model food simulants from epoxy polymer
por: Jeliński, Tomasz, et al.
Publicado: (2013)

The Role of Water Content of Deep Eutectic Solvent Ethaline in the Anodic Process of Gold Electrode
por: Wu, Jie-Du, et al.
Publicado: (2023)

Intermolecular interaction as a direct measure of water solubility advantage of meloxicam cocrystalized with carboxylic acids
por: Cysewski, Piotr
Publicado: (2018)

Exploring the cocrystallization potential of urea and benzamide
por: Cysewski, Piotr, et al.
Publicado: (2016)

New Screening Protocol for Effective Green Solvents Selection of Benzamide, Salicylamide and Ethenzamide
por: Przybyłek, Maciej, et al.
Publicado: (2022)

On the origin of surface imposed anisotropic growth of salicylic and acetylsalicylic acids crystals during droplet evaporation
por: Przybyłek, Maciej, et al.
Publicado: (2015)

Effect of Chitosan Deacetylation on Its Affinity to Type III Collagen: A Molecular Dynamics Study
por: Bełdowski, Piotr, et al.
Publicado: (2022)

Effect of Multivalent Cations on Intermolecular Association of Isotactic and Atactic Poly(Methacrylic Acid) Chains in Aqueous Solutions
por: Hriberšek, Patricija, et al.
Publicado: (2019)

Problems and solutions in quantum chemistry and physics
por: Johnson, Charles S., Jr. (Charles Sidney), 1936-
Publicado: (1986)

Intermolecular noncovalent interactions with carbon in solution
por: Dutta, Juhi, et al.
Publicado: (2022)

Intermolecular Interactions in Polyelectrolyte and Surfactant Complexes in Solution
por: Khan, Nasreen, et al.
Publicado: (2018)

Guest-Host Chemistry with Dendrimers—Binding of Carboxylates in Aqueous Solution
por: Ficker, Mario, et al.
Publicado: (2015)

Aqueous Solution Chemistry of Ammonium Cation in the Auger Time Window
por: Hollas, Daniel, et al.
Publicado: (2017)

Effects of intermolecular interactions on the stability of carbon nanotube–gold nanoparticle conjugates in solution
por: Konczak, Lukasz, et al.
Publicado: (2016)

Weak Intermolecular Interactions in a Series of Bioactive Oxazoles
por: Grześkiewicz, Anita M., et al.
Publicado: (2021)

Molecular quantum electrodynamics: long-range intermolecular interactions
por: Salam, Akbar
Publicado: (2010)

Edaravone: a baby in the bathwater?
por: Ludolph, Albert
Publicado: (2017)

Localized Quantum Chemistry on Quantum Computers
por: Otten, Matthew, et al.
Publicado: (2022)

Multiscale modelling of the radical-induced chemistry of acetohydroxamic acid in aqueous solution
por: Conrad, Jacy K., et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_uh9ivttb47umj1ht48n18pv5bf