Measurement and correlation of the solubility of kojic acid in pure and binary solvents

Chang, Li; Xu, Jiaxi; Li, Jiulong; Wu, Di; Qi, Luguang; Wang, Aiyu; Zhou, Lina; Xie, Chuang; Gong, Junbo; Chen, Wei

doi:10.1016/j.jct.2021.106712

Cited by 9 publications

(7 citation statements)

References 57 publications

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“…The KAT-LSER model 35 , 36 was employed to study the solvent effects on the solubility of gliclazide, and the equation is expressed as follows where π* is the dipolarity/polarizability of the solvent; α and β represent the acidity and basicity of hydrogen bonding of the solvent, respectively; and V s and δ H are the molar volume of gliclazide and solubility parameter of Hildebrand of the solvent, respectively. The constant c 0 is the intercept value at π* = α = β = δ H = 0; parameters of c 2 and c 3 represent the susceptibility of gliclazide properties to solute–solvent interactions of hydrogen bonding; and c 1 and c 4 represent the susceptibility of the solute to nonspecific interactions, respectively.…”

Section: Resultsmentioning

confidence: 99%

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Solid–Liquid Equilibrium Behavior and Solvent Effect of Gliclazide in Mono- and Binary Solvents

Wang

Li³

et al. 2022

ACS Omega

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The solubility data of gliclazide in 10 mono-solvents (1,2-dichloroethane, 1,4-dioxane, 2-methoxyethanol, n-propyl acetate, isopropyl acetate, n-butyl acetate, pentyl acetate, dimethyl sulfoxide (DMSO), N,N-dimethylacetamide (DMA), and 2-butanone) and one kind of binary solvent (DMA + water) were measured between 278.15 and 323.15 K under atmospheric pressure by the gravimetric method. The Hansen solubility parameters and the KAT-LSER equation were used to investigate the solubility order and the influence of solvent effects on solubility. The experimental data were correlated by six thermodynamic models (the λh model, the Yaws model, the Apelblat model, the Jouyban model, the modified Jouyban–Acree model, and the Sun model). The results show that all of these models can correlate the experimental data well. Among them, the Apelblat model is the most suitable for correlating the solubility data of gliclazide in mono-solvents and binary solvents.

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Section: Resultsmentioning

confidence: 99%

“…The KAT-LSER model 35,36 was employed to study the solvent effects on the solubility of gliclazide, and the equation is expressed as follows…”

Section: Effect Of Solventsmentioning

confidence: 99%

Solid–Liquid Equilibrium Behavior and Solvent Effect of Gliclazide in Mono- and Binary Solvents

Wang

Li³

et al. 2022

ACS Omega

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“…MEPS can characterize the overall charge distribution and reflect the interaction between molecules . The ERT molecule and four solvent molecules were geometrically optimized at B3LYP-D3(BJ)/6-311g (d, p) level by GAUSSIAN09 software, and then the single point energy was calculated at M06-2X/def2-TZVP level to obtain the wave function file.…”

Section: Experimental Sectionmentioning

confidence: 99%

“…MEPS can characterize the overall charge distribution and reflect the interaction between molecules. 17 The ERT molecule and four solvent molecules were geometrically optimized at B3LYP-D3(BJ)/6-311g (d, p) 18 level by GAUSSIAN09 software, and then the single point energy was calculated at M06-2X/def2-TZVP 19 level to obtain the wave function file. According to the wave function, Multiwfn3.7 20−22 was then chosen to carry out MEPS analysis while VMD 1.9.3 23 software was employed for visual processing.…”

Section: Molecular Electrostatic Potential Surface (Meps)mentioning

confidence: 99%

Uncovering the Solvent–Solute Interaction Mechanism in Nucleation of Erythritol Based on Metastable Zone Widths: Experimental Kinetics and Molecular Dynamics Simulations

Tang

et al. 2023

Ind. Eng. Chem. Res.

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The polythermal method (PTM) was employed to measure metastable zone width (MSZW) of erythritol (ERT) in solvents containing different hydrogen bond acceptor (HBA) capacities. The nucleation behavior of ERT was explained by modified Sangwal’s theory. In order to further uncover the effect of interaction mechanism between solvent and solute molecules on the nucleation rate of ERT, the molecular electrostatic potential surface (MEPS), Hirshfeld surface (HS) analysis, and radial distribution function (RDF) were calculated and analyzed. It was found that the strength of solvent–solute interaction was mainly related to the HBA ability of the solvent: the greater the HBA ability was, the stronger the hydrogen bond between the solvent and solute molecules would be, resulting in more difficulty for the solute to separate from the solvent, which then widens the MSZW and leads to a lower nucleation rate, a smaller critical nucleation size, and a longer induction time. Additionally, the induction time under different supersaturation ratios was measured to analyze the nucleation mechanism of ERT. At a high supersaturation ratio, the nucleation mechanism was homogeneous, while at a low supersaturation ratio, the nucleation mechanism was heterogeneous. The calculated interface energy based on the classical nucleation theory was compared with the interface energy calculated by modified Sangwal’s theory. The two calculated values were in good agreement, which further lay the foundation for the application of modified Sangwal’s theory.

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“…Kojic acid (5-hydroxy-2-hydroxymethylgamma-pyrone, or KA) is a significant secondary metabolite that can be generated from carbohydrates using a variety of carbon and nitrogen sources [7]. Using agricultural wastes and aerobic fermentation techniques, this task can be accomplished.…”

Section: Introductionmentioning

confidence: 99%

Optimization of production and evaluation of Microbial kojic Acid obtained from Sugarcane Molasses (SCM) by Aspergillus sp.

Mohamed,

Alian,

Mohamed

2024

Food systems

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Kojic acid (KA) is an organic acid that is generated by various fungi, particularly by Aspergillus species, as a secondary metabolite. The current study is aimed to determine the optimal conditions for the production of kojic acid from various fungal strains grown on agro-industrial wastes. After testing six fungal strains for their suitability for kojic acid production, Aspergillus oryzae (AUMC.64) and Aspergillus tamari (AUMC.43) were found to be the highest producers of KA. Three different agro-industrial wastes were screened as a fermentation media and sugar cane molasses showed the highest productivity for (KA). Aspergillus oryzae (AUMC.64), and Aspergillus tamari (AUMC.43) achieved the maximal production of kojic acid (25.91, 18.95 ± 0.001 g. L-1respectively) from sugarcane molasses (SCM) under optimum conditions of growth (10% solution of sugarcane molasses, pH 4.0 and fermentation period of 10 days). Also, the antimicrobial activities of KA produced by A. oryzae AUMC64 and A. tamari AUMC43 against the selected test strains of microorganisms Staphylococcus aureus, Bacillus cereus, Escherichia coli, Salmonella typhimurium were recorded. The maximum growth inhibition zone (20–13.2 mm) was observed on the cultures of Escherichia coli. Meanwhile the antioxidant activities of KA produced by A. oryzae AUMC64 and A. tamari AUMC43 was 79.1 and 62.42%, respectively.

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Measurement and correlation of the solubility of kojic acid in pure and binary solvents

Cited by 9 publications

References 57 publications

Solid–Liquid Equilibrium Behavior and Solvent Effect of Gliclazide in Mono- and Binary Solvents

Solid–Liquid Equilibrium Behavior and Solvent Effect of Gliclazide in Mono- and Binary Solvents

Uncovering the Solvent–Solute Interaction Mechanism in Nucleation of Erythritol Based on Metastable Zone Widths: Experimental Kinetics and Molecular Dynamics Simulations

Optimization of production and evaluation of Microbial kojic Acid obtained from Sugarcane Molasses (SCM) by Aspergillus sp.

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