KEV: A free software for calculating the equilibrium composition and determining the equilibrium constants using UV–Vis and potentiometric data

Meshkov, A. N.; Гамов, Г. А.

doi:10.1016/j.talanta.2019.01.107

Cited by 79 publications

(33 citation statements)

References 29 publications

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“…The equilibrium concentrations of benzoic acid in aqueous and mixed solutions of [BA] H2O and [BA] H2O-DMSO were calculated by KEV software [ 19 ] using the corresponding dissociation constants [ 20 ]. In the n-hexane layer ([BA] Hex ) was calculated as the difference between the total concentration of benzoic acid and the total concentration of benzoic acid in the aqueous–organic layer after mixing with hexane, assuming that the volume of the reaction medium remained constant during the experiment.…”

Section: Resultsmentioning

confidence: 99%

Complexation of Cyclodextrins with Benzoic Acid in Water-Organic Solvents: A Solvation-Thermodynamic Approach

et al. 2021

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The aim of this research is to obtain new data about the complexation between β-cyclodextrin (β-CD) and benzoic acid (BA) as a model reaction of the complex formation of hydrophobic molecules with cyclodextrins (CDs) in various media. This research may help developing cyclodextrin-based pharmaceutical formulations through the choice of the appropriate solvent mixture that may be employed in the industrial application aiming to control the reactions/processes in liquid phase. In this paper, NMR results for the molecular complex formation between BA and β-CD ([BA⊂β-CD]) in D2O-DMSO-d6 and in D2O-EtOH have shown that the stability of the complex in the H2O-DMSO-d6 varies within the experimental error, while decreases in H2O-EtOH. Changes in the Gibbs energy of BA resolvation in water and water–dimethylsulfoxide mixtures have been obtained and have been used in the analysis of the reagent solvation contributions into the Gibbs energy changes of the [BA⊂β-CD] molecular complex formation. Quantum chemical calculations of the interaction energy between β-CD and BA as well as the structure of the [BA⊂β-CD] complex and the energy of β-CD and BA interaction in vacuum and in the medium of water, methanol and dimethylsulfoxide solvents are carried out. The stability of [BA⊂β-CD] complex in H2O-EtOH and H2O-DMSO solvents, obtained by different methods, are compared. The thermodynamic parameters of the [BA⊂β-CD] molecular complexation as well as the reagent solvation contributions in H2O-EtOH and H2O-DMSO mixtures were analyzed by the solvation-thermodynamic approach.

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Section: Resultsmentioning

confidence: 99%

Complexation of Cyclodextrins with Benzoic Acid in Water-Organic Solvents: A Solvation-Thermodynamic Approach

et al. 2021

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“…The equilibrium composition of the solutions was calculated using the KEV program [13]. We found that the fractions of particles H 2 L + and L − were no more than 2.8 × 10 −3 and 4.8 × 10 −7 , respectively.…”

Section: Resultsmentioning

confidence: 99%

Standard Enthalpies of Formation of Isonicotinic Acid and Products of Its Dissociation in an Aqueous Solution

Lytkin

Chernikov

Krutova

et al. 2020

Russ. J. Phys. Chem.

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“…To calculate the stability constants of quercetin-HSA, curcumin-HSA associates, the spectral data were processed using KEV software [ 34 ].…”

Section: Methodsmentioning

confidence: 99%

Binding of quercetin and curcumin to human serum albumin in aqueous dimethyl sulfoxide and in aqueous ethanol

Усачева

Гамов

Bychkova

et al. 2022

J Therm Anal Calorim

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The paper reports the spectrofluorimetric and calorimetric study of binding of two hydrophobic biologically active molecules with antioxidant ability, flavonoids quercetin, and curcumin, to human serum albumin (HSA) in water, aqueous DMSO (0.05 and 0.1 mol. fraction of DMSO), and aqueous ethanol (0.05 mol. fraction of EtOH). Both flavonoids induce the quenching of HSA fluorescence. The stability constants of associates, as well as the changes in enthalpy of the reaction between quercetin and protein, were evaluated. The influence of solvent composition and additions of hydroxypropyl-β-cyclodextrin as a solubilizer of hydrophobic molecules, on the association processes is discussed. Supplementary Information The online version contains supplementary material available at 10.1007/s10973-022-11216-8.

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KEV: A free software for calculating the equilibrium composition and determining the equilibrium constants using UV–Vis and potentiometric data

Cited by 79 publications

References 29 publications

Complexation of Cyclodextrins with Benzoic Acid in Water-Organic Solvents: A Solvation-Thermodynamic Approach

Complexation of Cyclodextrins with Benzoic Acid in Water-Organic Solvents: A Solvation-Thermodynamic Approach

Standard Enthalpies of Formation of Isonicotinic Acid and Products of Its Dissociation in an Aqueous Solution

Binding of quercetin and curcumin to human serum albumin in aqueous dimethyl sulfoxide and in aqueous ethanol

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