ABSTRACT

Pentoxifylline is used to improve blood flows through peripheral blood vessels. The density of three amino acids and two peptides (glycine, L-alanine, L-valine, glycylglycine, and glycylglycylglycine) are measured using DSA 5000 instrument at T = (293.15, 298.15, 303.15, and 308.15) K in aqueous solution of this compound. The apparent molar volume, partial molar volume, transfer partial molar volume, and partial molar expansibility, thermal expansion coefficient, and Hepler's constant are calculated from the density data. The above parameters are used to interpret the solute-solute and solute-solvent interactions of amino acids/peptides in aqueous pentoxifylline solution. The dependence of these parameters upon concentration and temperature clearly suggest the role of amino acids/peptides and pentoxifylline in solute-solvent interactions.

Compounds

#	Formula	Name
1	C2H5NO2	2-aminoacetic acid
2	C3H7NO2	(S)-2-aminopropanoic acid
3	C5H11NO2	L-valine
4	C4H8N2O3	glycylglycine
5	C6H11N3O4	glycylglycylglycine
6	C13H18N4O3	3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione
7	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	6 7	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 6; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	20
POMD	1 6 7	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Solvent: Molality, mol/kg - 6; Liquid	Liquid	Vibrating tube method	28
POMD	2 6 7	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid Solvent: Molality, mol/kg - 6; Liquid	Liquid	Vibrating tube method	28
POMD	3 6 7	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 3; Liquid	Pressure, kPa; Liquid Solvent: Molality, mol/kg - 6; Liquid	Liquid	Vibrating tube method	28
POMD	4 6 7	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 4; Liquid	Pressure, kPa; Liquid Solvent: Molality, mol/kg - 6; Liquid	Liquid	Vibrating tube method	28
POMD	5 6 7	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 5; Liquid	Pressure, kPa; Liquid Solvent: Molality, mol/kg - 6; Liquid	Liquid	Vibrating tube method	28

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Interactions of amino acids and peptides with the drug pentoxifylline in aqueous solution at various temperatures: A volumetric approach

Pal, A.[Amalendu], Chauhan, N.[Nalin]

ABSTRACT