Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Molecular Interactions of Saccharides and Their Derivatives with Thiamine HCl and Pyridoxine HCl Vitamins in Aqueous Solutions: Calorimetric, Viscometric, and NMR Spectroscopic Studies

Sharma, Mousmee, Banipal, Tarlok S., Banipal, Parampaul K.
J. Chem. Eng. Data 2018, 63, 5, 1325-1351
ABSTRACT
Limiting standard enthalpies of dilution (dilH) and Jones-Dole viscosity B-coefficients of various polyhydroxy solutes viz., saccharides, their methyl and deoxy derivatives and sugar alcohol in (0.05, 0.15, 0.25 and 0.35) mol*kg-1 thiamine HCl(aq) and pyridoxine HCl(aq) solutions have been determined from heat change (q) and viscosity () data at T = (288.15 to 318.15) K and pressure, p = 0.1 MPa. The corresponding transfer parameters (trdilH, trB), change in heat capacity (dilCp,2,m), the enthalpic (hAB and hABB) and viscometric (AB and ABB) pair and triplet interaction coefficients have also been derived. The dB/dT coefficients have been calculated and discussed in terms of kosmotropic or chaotropic nature of solutes in aqueous solutions of vitamins. The present results have also been compared with previously reported studies carried out in -ascorbic acid.17 Further, NMR spectroscopy has been employed to understand the nature of interactions occurring in ternary solution {polyhydroxy solute + vitamins + 9:1 (w/w) H2O-D2O} at molality, mB = 0.15 mol*kg-1 and T = 300.15 K. The results have been explained in terms of contributions due to hydrophilic-hydrophilic/hydrophobic interactions and H-bonding between solute-solute/cosolute molecules. The effect of stereochemistry and molecular conformations of both polyhydroxy solutes and cosolutes (vitamins) have also been discussed. 1. INTRODUCTION The understanding about solvation behavior of saccharides and their derivatives in aqueous solutions is very essential due to their recognition in various biological processes like protein/enzyme stability, cellular interactions, protective efficacy, etc. Saccharides are appropriate models to study the hydration characteristics of proteins and nucleic acids as these stabilize the protein conformations and impede denaturation due to reagents.1-6 Sugar alcohols
Compounds
# Formula Name
1 C12H18Cl2N4OS thiamine hydrochloride
2 C8H12ClNO3 5-hydroxy-6-methyl-3,4-pyridinedimethanol hydrochloride
3 C5H10O5 D-xylose
4 C5H12O5 xylitol
5 C6H12O6 D-glucose
6 C6H12O5 2-deoxy-D-glucose
7 C7H14O6 methyl-.alpha.-D-glucopyranoside
8 C12H22O11 D-maltose
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
  • 3
  • 1
  • 9
  • Viscosity, Pa*s ; Liquid
  • Solvent: Molality, mol/kg - 1; Liquid
  • Molality, mol/kg - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 144
  • POMD
  • 4
  • 1
  • 9
  • Viscosity, Pa*s ; Liquid
  • Solvent: Molality, mol/kg - 1; Liquid
  • Molality, mol/kg - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 96
  • POMD
  • 5
  • 1
  • 9
  • Viscosity, Pa*s ; Liquid
  • Solvent: Molality, mol/kg - 1; Liquid
  • Molality, mol/kg - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 128
  • POMD
  • 6
  • 1
  • 9
  • Viscosity, Pa*s ; Liquid
  • Solvent: Molality, mol/kg - 1; Liquid
  • Molality, mol/kg - 6; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 96
  • POMD
  • 7
  • 1
  • 9
  • Viscosity, Pa*s ; Liquid
  • Solvent: Molality, mol/kg - 1; Liquid
  • Molality, mol/kg - 7; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 128
  • POMD
  • 8
  • 1
  • 9
  • Viscosity, Pa*s ; Liquid
  • Solvent: Molality, mol/kg - 1; Liquid
  • Molality, mol/kg - 8; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 128
  • POMD
  • 3
  • 2
  • 9
  • Viscosity, Pa*s ; Liquid
  • Solvent: Molality, mol/kg - 2; Liquid
  • Molality, mol/kg - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 144
  • POMD
  • 4
  • 2
  • 9
  • Viscosity, Pa*s ; Liquid
  • Solvent: Molality, mol/kg - 2; Liquid
  • Molality, mol/kg - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 96
  • POMD
  • 5
  • 2
  • 9
  • Viscosity, Pa*s ; Liquid
  • Solvent: Molality, mol/kg - 2; Liquid
  • Molality, mol/kg - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 128
  • POMD
  • 6
  • 2
  • 9
  • Viscosity, Pa*s ; Liquid
  • Solvent: Molality, mol/kg - 2; Liquid
  • Molality, mol/kg - 6; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 96
  • POMD
  • 7
  • 2
  • 9
  • Viscosity, Pa*s ; Liquid
  • Solvent: Molality, mol/kg - 2; Liquid
  • Molality, mol/kg - 7; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 128
  • POMD
  • 8
  • 2
  • 9
  • Viscosity, Pa*s ; Liquid
  • Solvent: Molality, mol/kg - 2; Liquid
  • Molality, mol/kg - 8; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 128
  • POMD
  • 1
  • 9
  • Viscosity, Pa*s ; Liquid
  • Molality, mol/kg - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 16
  • POMD
  • 2
  • 9
  • Viscosity, Pa*s ; Liquid
  • Molality, mol/kg - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Capillary tube (Ostwald; Ubbelohde) method
  • 16
  • POMD
  • 3
  • 9
  • Molar enthalpy of dilution, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Initial molality of solute, mol/kg; Liquid
  • Pressure, kPa; Liquid
  • Final molality of solute, mol/kg; Liquid
  • Liquid
  • titration calorimeter
  • 4
  • POMD
  • 4
  • 9
  • Molar enthalpy of dilution, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Initial molality of solute, mol/kg; Liquid
  • Pressure, kPa; Liquid
  • Final molality of solute, mol/kg; Liquid
  • Liquid
  • titration calorimeter
  • 4
  • POMD
  • 5
  • 9
  • Molar enthalpy of dilution, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Initial molality of solute, mol/kg; Liquid
  • Pressure, kPa; Liquid
  • Final molality of solute, mol/kg; Liquid
  • Liquid
  • titration calorimeter
  • 4
  • POMD
  • 6
  • 9
  • Molar enthalpy of dilution, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Initial molality of solute, mol/kg; Liquid
  • Pressure, kPa; Liquid
  • Final molality of solute, mol/kg; Liquid
  • Liquid
  • titration calorimeter
  • 4
  • POMD
  • 7
  • 9
  • Molar enthalpy of dilution, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Initial molality of solute, mol/kg; Liquid
  • Pressure, kPa; Liquid
  • Final molality of solute, mol/kg; Liquid
  • Liquid
  • titration calorimeter
  • 4
  • POMD
  • 8
  • 9
  • Molar enthalpy of dilution, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Initial molality of solute, mol/kg; Liquid
  • Pressure, kPa; Liquid
  • Final molality of solute, mol/kg; Liquid
  • Liquid
  • titration calorimeter
  • 4