Free energy calculation for DNA bases in various solvents using Flory-Huggins theory

被引：10

作者：

Amutha, R ^{[1
]}

Subramanian, V ^{[1
]}

Nair, BU ^{[1
]}

机构：

[1] Cent Leather Res Inst, Chem Lab, Madras 600020, Tamil Nadu, India

来源：

CHEMICAL PHYSICS LETTERS | 2001年 / 335卷 / 5-6期

关键词：

DNA bases; Flory-Huggins theory; solvation free energy;

D O I：

10.1016/S0009-2614(01)00050-1

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：489 / 495

页数：7

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