ABSTRACT

The interactions of glycine (Gly), L-alanine (Ala), L-valine (Val) and L-Leucine (Leu) with drug amoxicillin (AMX) as a function of temperature have been investigated by combination of volumetric and acoustic measurements. Densities and speeds of sound of amino acids in aqueous solutions of amoxicillin have been measured at T = (305.15, 310.15 and 315.15) K and atmospheric pressure. The apparent molar volume (V/), the partial molar volume (V/ 0) and standard partial molar volumes of transfer (DV/ 0) for amino acids from water to aqueous amoxicillin solutions have been calculated from density data. Group contributions of amino acids to partial molar volume were determined. Partial molar isentropic compression (j/,s) and partial molar isentropic compression of transfer (Dj0 /;S) have been calculated from speed of sound data. The pair and triplet interaction coefficient have been calculated from both the properties. The results have been explained based on competing patterns of interactions of co-solvents and the solute.

Compounds

#	Formula	Name
1	C2H5NO2	2-aminoacetic acid
2	C3H7NO2	(S)-2-aminopropanoic acid
3	C5H11NO2	L-valine
4	C6H13NO2	L-leucine
5	C16H19N3O5S	amoxicillin
6	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	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	3
POMD	6	Speed of sound, m/s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	3
POMD	1 6 5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Solvent: Molality, mol/kg - 5; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	132
POMD	1 6 5	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Solvent: Molality, mol/kg - 5; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	132
POMD	2 6 5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Solvent: Molality, mol/kg - 5; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	132
POMD	2 6 5	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Solvent: Molality, mol/kg - 5; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	132
POMD	3 6 5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Solvent: Molality, mol/kg - 5; Liquid Molality, mol/kg - 3; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	132
POMD	3 6 5	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Solvent: Molality, mol/kg - 5; Liquid Molality, mol/kg - 3; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	132
POMD	4 6 5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Solvent: Molality, mol/kg - 5; Liquid Molality, mol/kg - 4; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	132
POMD	4 6 5	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Solvent: Molality, mol/kg - 5; Liquid Molality, mol/kg - 4; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	132
POMD	1 6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	30
POMD	1 6	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	30
POMD	6 5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 5; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	9
POMD	6 5	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 5; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	9
POMD	2 6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	30
POMD	2 6	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	30
POMD	3 6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 3; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	30
POMD	3 6	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 3; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	30
POMD	4 6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 4; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	30
POMD	4 6	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 4; Liquid	Pressure, kPa; Liquid Frequency, MHz; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	30

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Solvation behaviour of biologically active compounds in aqueous solutions of antibacterial drug amoxicillin at different temperatures

Singla, M.[Meenu], Kumar, H.[Harsh], Jindal, R.[Rajeev]

ABSTRACT