Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

A volumetric approach: Interactions of some local anesthetical drugs with alpha-cyclodextrin in aqueous solutions at 298.15 K

Shaikh, V. R.[Vasim R.], Hundiwale, D. G., Patil, K. J.[Kesharsingh J.]
J. Chem. Thermodyn. 2017, 107, 51-57
ABSTRACT
The density measurements have been carried out for ternary aqueous solutions containing a fixed concentration ( 0.1 mol kg 1) of a-cyclodextrin (a-CD) and varying concentrations ( 0.003 to 0.21 mol kg 1) of some local anesthetical drugs, namely procaine hydrochloride (PC HCl), lidocaine hydrochloride monohydrate (LC HCl) and tetracaine hydrochloride (TC HCl) at 298.15 K. The density data are used to determine apparent molar volumes of the drug molecules in ternary solutions at finite concentrations as well at infinitely dilute solutions. Following the methods developed by Hoiland et al. as well by Jolicoeur et al. and using the infinite dilution volume values for the drugs in ternary and binary solutions and incorporating the equilibrium constant values for the complexation between a-CD and drugs, volume changes due to encapsulation or complexation have been estimated. It is observed that all the studied hydrochlorides exhibit high positive volume change due to complexation. The results are discussed in terms of host-guest interaction and structural specificity of guest molecules.
Compounds
# Formula Name
1 C36H60O30 .alpha.-cyclodextrin
2 C13H21ClN2O2 2-diethylaminoethyl p-aminobenzoate hydrochloride
3 C14H23ClN2O lidocaine hydrochloride
4 C15H25ClN2O2 2-(dimethylamino)ethyl 4-(butylamino)benzoate hydrochloride (1:1)
5 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
  • 5
  • 1
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 2; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 13
  • POMD
  • 3
  • 5
  • 1
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 3; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 13
  • POMD
  • 4
  • 5
  • 1
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 4; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 13
  • POMD
  • 5
  • 1
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Vibrating tube method
  • 16