Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Molecular interactions between some amino acids and a pharmaceutically active ionic liquid domiphen DL-mandelic acid in aqueous medium at temperatures from 293.15 K to 313.15 K

Yan, Zhenning, Chen, Xue, Liu, Liyun, Cao, Xingxing
J. Chem. Thermodyn. 2019, 138, 1-13
ABSTRACT
Molecular interactions between some amino acids (glycine, l-alanine, l-valine and l-leucine) and a pharmaceutically active ionic liquid domiphen DL-mandelic acid ([DOM][MAN]) in aqueous solution at various temperatures have been studied by means of volumetric, conductivity and spectroscopy measurements. Density data were used to derive standard partial molar volume, V2,phi0 standard partial molar expansibility, Ephi0, standard transfer volume, deltatV0, isobaric thermal expansion coefficient, alpha0 and hydration number, nH of amino acids. On the basis of the experimental conductivity and fluorescence spectroscopy data, the aggregation behaviour of [DOM][MAN] in aqueous amino acid solutions was investigated. Critical micelle concentration, cmc, aggregation number, Nagg, some thermodynamic functions, deltaGm0, deltaHm0, deltaSm0 and deltaCp0 of micellization for [DOM][MAN] have been obtained. Effect of concentration and temperature on the obtained parameters has been discussed. Binding constant Kb for amino acid-[DOM][MAN] complex estimated using the UV-vis spectroscopic data approved that the solute-solvent interactions were strengthened by elevating the size of alkyl part of amino acids.
Compounds
# Formula Name
1 C30H47NO4 domiphen DL-mandelate
2 C2H5NO2 2-aminoacetic acid
3 C3H7NO2 (S)-2-aminopropanoic acid
4 C5H11NO2 L-valine
5 C6H13NO2 L-leucine
6 H2O water
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 2
  • 1
  • 6
  • Mass density, kg/m3 ; Liquid
  • Solvent: Molality, mol/kg - 1; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 74
  • POMD
  • 2
  • 1
  • 6
  • Electrical conductivity, S/m ; Liquid
  • Solvent: Molality, mol/kg - 2; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 240
  • POMD
  • 3
  • 1
  • 6
  • Mass density, kg/m3 ; Liquid
  • Solvent: Molality, mol/kg - 1; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 74
  • POMD
  • 3
  • 1
  • 6
  • Electrical conductivity, S/m ; Liquid
  • Solvent: Molality, mol/kg - 3; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 230
  • POMD
  • 4
  • 1
  • 6
  • Mass density, kg/m3 ; Liquid
  • Solvent: Molality, mol/kg - 1; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 69
  • POMD
  • 4
  • 1
  • 6
  • Electrical conductivity, S/m ; Liquid
  • Solvent: Molality, mol/kg - 4; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 240
  • POMD
  • 5
  • 1
  • 6
  • Mass density, kg/m3 ; Liquid
  • Solvent: Molality, mol/kg - 1; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 78
  • POMD
  • 5
  • 1
  • 6
  • Electrical conductivity, S/m ; Liquid
  • Solvent: Molality, mol/kg - 5; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 235
  • POMD
  • 1
  • 6
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 18
  • POMD
  • 1
  • 6
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 80
  • POMD
  • 2
  • 6
  • Electrical conductivity, S/m ; Liquid
  • Molality, mol/kg - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 15
  • POMD
  • 2
  • 6
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 40
  • POMD
  • 3
  • 6
  • Electrical conductivity, S/m ; Liquid
  • Molality, mol/kg - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 15
  • POMD
  • 3
  • 6
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 36
  • POMD
  • 4
  • 6
  • Electrical conductivity, S/m ; Liquid
  • Molality, mol/kg - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 15
  • POMD
  • 4
  • 6
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 40
  • POMD
  • 5
  • 6
  • Electrical conductivity, S/m ; Liquid
  • Molality, mol/kg - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Direct current cell with electrodes
  • 15
  • POMD
  • 5
  • 6
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 28