ABSTRACT

The dilution enthalpies of four 2'-deoxynucleosides, namely 2'-deoxyuridine (dU), 2'- deoxycytidine (dC), 2'-deoxyguanosine (dG) and 2'-deoxythymidine (dT), in dimethylformamide (DMF) + water mixtures have been determined at 298.15 K respectively, using an isothermal titration calorimeter (ITC200 MicroCal). On the basis of the McMillan-Mayer theory, the homotactic enthalpic pairwise interaction coefficients (hxx) of the four 2'-deoxynucleosides in DMF + water mixtures of various mass fractions (wDMF = 0~0.30) have been calculated. It was found that the values of hxx of the four 2'-deoxynucleosides are all large negative and increase gradually across the whole studied composition range of the mixed solvent, though the variation degrees of them are somewhat different. The results are discussed from the point of view of solute-solute and solute-solvent interactions in solutions.

Compounds

#	Formula	Name
1	C9H13N3O4	2'-deoxycytidine
2	C9H12N2O5	2'-deoxyuridine
3	C10H13N5O4	2'-deoxyguanosine
4	C10H14N2O5	thymidine
5	H2O	water
6	C3H7NO	dimethylformamide

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 1 5	Molar enthalpy of dilution, kJ/mol ; Liquid	Initial molality of solute, mol/kg; Liquid Solvent: Mass fraction - 6; Liquid Final molality of solute, mol/kg; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Calvet calorimetry	108
POMD	6 2 5	Molar enthalpy of dilution, kJ/mol ; Liquid	Initial molality of solute, mol/kg; Liquid Solvent: Mass fraction - 6; Liquid Final molality of solute, mol/kg; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Calvet calorimetry	108
POMD	6 3 5	Molar enthalpy of dilution, kJ/mol ; Liquid	Initial molality of solute, mol/kg; Liquid Solvent: Mass fraction - 6; Liquid Final molality of solute, mol/kg; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Calvet calorimetry	108
POMD	4 6 5	Molar enthalpy of dilution, kJ/mol ; Liquid	Initial molality of solute, mol/kg; Liquid Solvent: Mass fraction - 6; Liquid Final molality of solute, mol/kg; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Calvet calorimetry	108
POMD	1 5	Molar enthalpy of dilution, kJ/mol ; Liquid	Initial molality of solute, mol/kg; Liquid Final molality of solute, mol/kg; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Calvet calorimetry	18
POMD	2 5	Molar enthalpy of dilution, kJ/mol ; Liquid	Initial molality of solute, mol/kg; Liquid Final molality of solute, mol/kg; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Calvet calorimetry	18
POMD	3 5	Molar enthalpy of dilution, kJ/mol ; Liquid	Initial molality of solute, mol/kg; Liquid Final molality of solute, mol/kg; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Calvet calorimetry	18
POMD	4 5	Molar enthalpy of dilution, kJ/mol ; Liquid	Initial molality of solute, mol/kg; Liquid Final molality of solute, mol/kg; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Calvet calorimetry	18

Thermodynamics Research Center / ThermoML | Thermochimica Acta

Homotactic enthalpic pairwise interactions of four deoxynucleosides (dU, dC, dG, dT) in dimethylformamide (DMF) + water mixtures at 298.15 K

Jia, Z.[Zhaopeng], Hu, X.[Xingen], Cheng, W.[Weina], Liu, J.[Jiamin], Guo, A.[Aidi], Fang, G.[Guoyong]

ABSTRACT