Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Modulation in physico-chemical characteristics of some polyhydroxy solutes in presence of L-glycine: Volumetric and NMR spectroscopic approach

Banipal, P. K.[Parampaul K.], Kaur, K.[Kamaljeet], Banipal, T. S.[Tarlok S.]
Fluid Phase Equilib. 2015, 402, 113-123
ABSTRACT
Volumetric and, 1H and 13C NMR spectroscopic studies have been exploited to study molecular interactions of some polyhyroxy solutes with L-glycine in aqueous solutions. Apparent molar volumes for monosaccharides; (+)-D-mannose, (+)-D-glucose, and (-)-L-sorbose, disaccharides; (+)-maltose monohydrate, and (+)-cellobiose, deoxy-derivatives of hexoses; 6-deoxy-D-mannose, 2- deoxy-D-glucose, methyl glycopyranosides; (+)-methyl .alpha.-D-mannopyranoside, and (+)-methyl .alpha.-Dglucopyranoside, and polyols; D-mannitol, D-sorbitol, and myo-inositol in 0.05, 0.15, 0.25, 0.35 and 0.50 mol kg^-1 aqueous solutions of L-glycine have been determined from density, density data measured at 288.15, 298.15, 308.15 and 318.15 K under atmospheric pressure, p = 0.1 MPa. The data were processed to obtain the standard partial molar volumes at infinite-dilution and the corresponding volumes of transfer of solutes from water to aqueous solution of L-glycine. Other parameters such as partial molar expansion coefficients and their second-order derivatives and pair and higher-order volumetric interaction coefficients (VAB and VABB) have also been obtained. These parameters have been utilized to discuss various types of interactions on the basis of co-sphere overlap model. 1H and 13C NMR spectroscopic studies for polyhydroxy solutes were carried out in 0.10 mol kg-1 L-glycine prepared in 9:1 (w/w) H2O-D2O solvent. NMR results show more downfield shift in ternary system than in pure L-glycine solution, hence suggesting that hydrophilic-ionic interactions predominate over hydrophilic/hydrophobic-hydrophobic interactions occurring between solute and L-glycine molecules.
Compounds
# Formula Name
1 C7H14O6 .alpha.-methyl mannopyranoside
2 C6H12O6 D-glucose
3 C7H14O6 methyl-.alpha.-D-glucopyranoside
4 C6H12O6 L-sorbose
5 C12H24O12 D-(+)-maltose monohydrate
6 C12H22O11 D-cellobiose
7 C2H5NO2 2-aminoacetic acid
8 C6H12O5 6-deoxy-D-mannose
9 C6H14O6 D-mannitol
10 C6H12O5 2-deoxy-D-glucose
11 C6H14O6 D-sorbitol
12 C6H12O6 cis-1,2,3,5-trans-4,6-cyclohexanehexol
13 C6H12O6 D-mannose
14 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
  • 14
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Alternating current cell with electrodes
  • 1
  • POMD
  • 7
  • 13
  • 14
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 7; Liquid
  • Molality, mol/kg - 13; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 192
  • POMD
  • 7
  • 8
  • 14
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 7; Liquid
  • Molality, mol/kg - 8; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 120
  • POMD
  • 7
  • 1
  • 14
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 7; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 120
  • POMD
  • 7
  • 9
  • 14
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 7; Liquid
  • Molality, mol/kg - 9; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 184
  • POMD
  • 2
  • 7
  • 14
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 7; Liquid
  • Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 176
  • POMD
  • 7
  • 3
  • 14
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 7; Liquid
  • Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 172
  • POMD
  • 7
  • 10
  • 14
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 7; Liquid
  • Molality, mol/kg - 10; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 96
  • POMD
  • 7
  • 4
  • 14
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 7; Liquid
  • Molality, mol/kg - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 176
  • POMD
  • 11
  • 7
  • 14
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 7; Liquid
  • Molality, mol/kg - 11; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 176
  • POMD
  • 7
  • 12
  • 14
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 7; Liquid
  • Molality, mol/kg - 12; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 168
  • POMD
  • 7
  • 5
  • 14
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 7; Liquid
  • Molality, mol/kg - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 192
  • POMD
  • 7
  • 6
  • 14
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Molality, mol/kg - 7; Liquid
  • Molality, mol/kg - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 164