Amutha, R ; Subramanian, V ; Unni Nair, Balachandran (2001) Free energy calculation for DNA bases in various solvents using Flory–Huggins theory Chemical Physics Letters, 335 (5-6). pp. 489-495. ISSN 0009-2614
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1016/S0009-2614(01)00050-1
Abstract
The solvation of various DNA bases in water, ethanol and chloroform has been explored using the modified Flory–Huggins theory employing Monte Carlo simulation techniques. The extent of solvation has been obtained by computing free energy and entropy of mixing. The calculated thermodynamic properties, free energies, enthalpy and entropy of the bases in the solvent environment reveals that, bases are not generally soluble in water but are soluble in chloroform. These results are in accordance with the previous finding that the bases tend to aggregate in water medium. The Flory–Huggins theory qualitatively describes DNA–solvent interaction. In addition, the results from the present theory depend on the quality of the force field employed in the calculation.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| Keywords: | DNA Bases; Flory–Huggins Theory; Solvation Free Energy |
| ID Code: | 107932 |
| Deposited On: | 01 Dec 2017 12:22 |
| Last Modified: | 01 Dec 2017 12:22 |
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