Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Intermolecular interactions of .alpha.-amino acids and glycyl dipeptides with the drug domiphen bromide in aqueous solutions analyzed by volumetric and UV-vis spectroscopy methods

Yan, Z.[Zhenning], Wen, X.[Xiangli], Kang, Y.[Yunxia], Chu, W.[Wenwen]
J. Chem. Thermodyn. 2016, 101, 300-307
ABSTRACT
The interactions of four a-amino acids and three glycyl dipeptides with drug domiphen bromide (DB) as the function of temperature and DB molality have been investigated by combination of volumetric and UV vis spectroscopy methods. The standard partial molar volume (V 2;/), standard partial molar transfer volumes (DtVo), hydration number (nH), partial molar expansibility (E /) and Hepler s factor (o2V 2;//oT2)p are calculated from the density data. The above parameters are used to interpret the solute-solvent interactions in ternary systems. The dependence of these parameters upon concentration, temperature and hydrocarbon chain length of the amino acids/dipeptides clearly suggest the roles of amino acids/dipeptides and domiphen bromide in solute-solvent interactions. Group contributions of amino acids/dipeptides to the standard partial molar volume were determined. For the studied glycyl dipeptides standard partial molar volume can be expressed by those of the corresponding amino acids in terms of an additivity scheme. The absorption spectra have also been recorded for present mixtures with the help of UV vis spectrophotometer. The binding constant between amino acids/dipeptides and domiphen bromide was determined.
Compounds
# Formula Name
1 C2H5NO2 2-aminoacetic acid
2 C3H7NO2 (S)-2-aminopropanoic acid
3 C5H11NO2 L-valine
4 C6H13NO2 L-leucine
5 C4H8N2O3 glycylglycine
6 C7H14N2O3 glycyl-L-valine
7 C8H16N2O3 glycyl-L-leucine
8 C22H40BrNO Domiphen bromide
9 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
  • 1
  • 8
  • 9
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 8; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 67
  • POMD
  • 2
  • 8
  • 9
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 8; Liquid
  • Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 66
  • POMD
  • 3
  • 8
  • 9
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 8; Liquid
  • Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 70
  • POMD
  • 4
  • 8
  • 9
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 8; Liquid
  • Molality, mol/kg - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 68
  • POMD
  • 8
  • 5
  • 9
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 8; Liquid
  • Molality, mol/kg - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 67
  • POMD
  • 8
  • 6
  • 9
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 8; Liquid
  • Molality, mol/kg - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 64
  • POMD
  • 8
  • 7
  • 9
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 8; Liquid
  • Molality, mol/kg - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 66
  • POMD
  • 8
  • 9
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 8; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 8