Extraction of valuable chemicals from food waste via computational solvent screening and experiments

Y Gupta, S Bhattacharyya, DG Vlachos - Separation and Purification …, 2023 - Elsevier
About 1.3 billion tons of global food production end up in landfills and composting, leading
to significant anthropogenic greenhouse gas (GHG) emissions. Extracting antioxidant and …

Solubility, thermodynamic parameters, and dissolution properties of gliclazide in seventeen pure solvents at temperatures from 278.15 to 318.15 K

S Yu, X Xu, W Xing, F Xue, Y Cheng - Journal of Molecular Liquids, 2020 - Elsevier
The solubility of gliclazide in seventeen pure solvents, ie methanol, ethanol, n-propanol, i-
propanol, n-butanol, i-butanol, s-butanol, acetone, cyclohexanone, ethyl formate, methyl …

Solubility determination, model correlation, thermodynamic analysis, molecular dynamic simulation of Favipiravir in twelve pure solvents

X Cui, Y Yan, X Zhang - Journal of Molecular Liquids, 2023 - Elsevier
The solubility of Favipiravir in twelve pure solvents, including methanol (MeOH), ethanol
(EtOH), n-propanol (NPOH), isopropanol (IPOH), n-butanol (NBOH), acetone (DMK) …

Uncovering the solubility behavior of vitamin B6 hydrochloride in three aqueous binary solvents by thermodynamic analysis and molecular dynamic simulation

P Shi, Y Ma, D Han, S Du, T Zhang, Z Li - Journal of Molecular Liquids, 2019 - Elsevier
Solubility of vitamin B6 hydrochloride (VB6H) in three water-organic binary mixed solvents
from 278.15 K to 313.15 K at atmospheric pressure was investigated by experiments and …

[HTML][HTML] Development of Abraham Model Correlations for Solute Transfer into the tert-Butyl Acetate Mono-Solvent and Updated Equations for Both Ethyl Acetate and …

L Longacre, E Wu, C Yang, M Zhang, S Sinha… - Liquids, 2022 - mdpi.com
Experimental solubilities were determined for 31 solid nonelectrolyte organic compounds
dissolved in tert-butyl acetate at 298.15 K. Results of the experimental measurements were …

Solubility measurement, correlation and molecular simulation of dabigatran etexilate mesylate polymorphs in five mono-solvents

Y Yan, A Li, Z Si, X Zhang - Journal of Molecular Liquids, 2020 - Elsevier
The solubility of dabigatran etexilate mesylate (DEM) Forms I, II, M, and Hemihydrate in pure
water, methanol, ethanol, n-propanol, and n-butanol was determined by a dynamic method …

Solvent and temperature effects on the solubility of syringic, vanillic or veratric acids: Experimental, modeling and solid phase studies

SM Vilas-Boas, V Vieira, P Brandao, RS Alves… - Journal of Molecular …, 2019 - Elsevier
The solubility of syringic acid, vanillic acid and veratric acid was measured in pure water and
eleven organic solvents (methanol, ethanol, 1-propanol, 2-propanol, 2-butanone, ethyl …

Systematic thermodynamic study of clorsulon dissolved in ten organic solvents: Mechanism evaluation by modeling and molecular dynamic simulation

Q Liu, Y Yan, Y Wu, X Zhang, X Zhou - Journal of Molecular Liquids, 2021 - Elsevier
The thermodynamic properties of clorsulon were systematically studied through solubility
measurement, calculation with modeling and molecular dynamics simulations. The …

Updated Abraham model correlations for correlating solute transfer into dry butanone and dry cyclohexanone solvents

X Tong, D Woods, WE Acree… - Physics and Chemistry of …, 2018 - Taylor & Francis
Updated Abraham solvation parameter model correlations are derived for describing the
partitioning and solubility behaviour of organic nonelectrolyte solutes and inorganic gases in …

Solubility behavior and thermodynamic analysis of bisphenol A in 14 different pure solvents

J Sun, L Wang, S Ding, X Sun, L Xu - Journal of Chemical & …, 2020 - ACS Publications
The solubility of bisphenol A in 14 different pure solvents (N, N-dimethylformamide,
formamide, acetone, 1, 4-dioxane, cyclohexanone, ethyl acetate, methyl acetate, acetonitrile …