Interactions of 6-aminopurine (adenine) in water and aqueous urea solutions

2000 ◽  
Vol 78 (12) ◽  
pp. 1561-1569 ◽  
Author(s):  
J D Pandey ◽  
S Haroon ◽  
Krishna K Dubey ◽  
Madhulika Upadhyaya ◽  
Ranjan Dey ◽  
...  

Density (ρ), ultrasonic velocity (U), viscosity (η), and absorbance (A) of adenine in water, 1 M, 3 M, and 6 M aqueous urea solutions have been measured in the presence (and absence) of different concentrations of salts, i.e., NaCl, KCl, and CaCl2. From these measured values, the apparent molar volume (ϕv), experimental slope (Sv), apparent molar compressibility (ϕK), viscosity coefficients A and B of Jones–Dole equation, specific acoustic impedance (Z), hydration number (Sn), internal pressure (Pi), molar absorptivity (ε), hypochromicity (h), and oscillator strength (f) have been calculated at 298.15 K. The increasing and (or) decreasing trends of all these parameters indicate a strong interaction of urea in moderate concentration (1 M and 3 M) with adenine especially at the hydrophilic/polar and ionic sites, particularly by hydrogen bonding. However, the interaction at hydrophobic sites are relatively weaker. Higher concentrations of urea (6 M) have more denaturation effect. The π–π interactions (stacking) in adenine are more prominent in concentrated solutions and are also strengthened by the presence of cations up to an optimum concentration of salts (cut-off point). The self-association of urea and adenine is more significant in concentrated aqueous solutions and becomes negligible on dilution.Key words: interaction, adenine, urea, density, viscosity, and ultrasonic velocity.


2013 ◽  
Vol 2013 ◽  
pp. 1-10 ◽  
Author(s):  
Monalisa Das ◽  
Smrutiprava Das ◽  
A. K. Pattanaik

Density and ultrasonic velocity have been measured for sodium nitroprusside in aqueous solutions of CH3OH, ethylene glycol, DMSO, and n-propanol solvents at 308.15 K. A quantitative relationship has been established among the acoustical properties like ultrasonic velocity (U), adiabatic compressibility (β), intermolecular free length (Lf), acoustic impedance (Z), apparent molar compressibility (Kϕ), apparent molar volume (Vϕ), limiting apparent molar compressibility (Kϕ0) limiting apparent molar volume (Vϕ0), and their constants (SK,Sv). From the obtained values, molecular interaction study has been made successfully in the light of these acoustical properties through hydrogen bonding in solute and solvent mixture.





2018 ◽  
Vol 34 (4) ◽  
pp. 1755-1764 ◽  
Author(s):  
Roksana Khatun ◽  
Rajia Sultana ◽  
Ranjit K. Nath

The observations on the anomalous behavior of urea and the comparison between urea and thiourea in aqueous solutions have been examined by volumetric and ultrasonic sound velocity techniques at different temperature (298.15, 303.15, 308.15, 313.15, 318.15 and 323.15 K) , atmospheric pressure by using a high accuracy vibrating U-tube digital density and ultrasonic sound velocity analyzer. The apparent molar volume (ϕv) & apparent molar adiabatic compressibility (ϕk) have been calculated from experimental density and ultrasonic sound velocity data respectively and limiting apparent molar volume (ϕv0), limiting apparent molar adiabatic compressibility (ϕk0) have been evaluated from apparent molar volume vs. molality plot as intercept. Apparent molar expansibility (ϕE) was determined from apparent molar volume and hydration number (nH) from adiabatic compressibility. The results show very interesting information about strong solute-solvent & solute-solute interactions, and also elaborate the structure making or breaking behavior in the solution mixtures.



1980 ◽  
Vol 34 (4) ◽  
pp. 415-417 ◽  
Author(s):  
Vincent P. Tomaselli ◽  
Hassan Zarrabi ◽  
K. D. Möller

The molar absorptivity, ε(ν̄) of three intense infrared absorption bands in tri- n-butyl phosphate has been measured as a function of concentration. For all three bands, ε(ν̄) is independent of concentration for dilute solutions, then decreases uniformly with increasing concentration, and finally becomes independent of concentration again as one approaches the pure liquid. A saturation effect is found at about 1.0 M for all cases. Deviations from Beer's law behavior are observed at concentrations which depend upon the absorption band and/or the choice of nonpolar solvent. Self-association of the solute molecules is considered to be the cause of the decrease in ε(ν̄) with increasing concentration. From the measured data, it is possible to estimate the number of solvent molecules required to prevent this self-association. For CCl4, we find this value to be 25 molecules of solvent per solute molecule, a value in agreement with elementary geometric consideration.



1990 ◽  
Vol 68 (8) ◽  
pp. 1293-1299 ◽  
Author(s):  
Michael Falk ◽  
Manuel Gil ◽  
Nerea Iza

Spectra of caffeine in D2O solution (0.003 to 0.129 M) were studied by Fourier-transform infrared spectroscopy. Spectral changes in the carbonyl stretching region were interpreted in terms of the self-association equilibria resulting from the stacking of caffeine molecules. Absence of isosbestic points indicated the occurrence of more than two spectroscopically distinct caffeine species. A simple monomer–dimer–polymer model was employed, in which the successive equilibria are governed by two association constants, Kd for the formation of dimers and Kp for the formation of trimers and larger polymers. The value Kd = 158.1 L mol−1 was taken from a recent ultraviolet study by Iza etal. and the value Kp = 27 L mol−1 was derived from the analysis of infrared band profiles sharpened by Fourier self-deconvolution. From these values of Kd and Kp, the weight fractions of monomers, dimers, and polymers were calculated for every caffeine concentration and their individual molar absorptivity spectra were derived. In agreement with the earlier work of Maevsky and Sukhorukov, it was found that stacking association causes shifts of both C=O stretching fundamentals to higher wavenumbers. The monomer-dimer shifts are smaller than the dimer-polymer shifts. Analogous shifts were observed for the stacking self-association of 1,3-dimethyluracil in D2O. The shifts to higher wavenumbers are probably caused by the diminished hydrogen bonding of water to C=O groups of the stacked bases. Keywords: caffeine, self association, infrared spectroscopy, base stacking.



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