从双链螺旋到B-DNA的手性双相：一个分子模型
From the double-stranded helix to the chiral nematic phase of B-DNA: a molecular model
摘要：
合适浓度的B-DNA溶液形成左手手性相（胆甾相）。在其他刚性或半柔性手性聚合物的溶液中也观察到这种相;手性螺距的大小和手性与分子特征唯一相关。在这项工作中，我们提出了一种理论方法和数值计算程序，从聚电解质的结构，导致的预测的螺旋桨间距。分子表达式的自由能系统的基础上获得的空间和静电聚合物之间的相互作用;前者被描述在排除体积，而平均场近似用于后者。计算了130 bp的B-DNA片段。理论预测提供了一个解释的实验行为，通过显示的抵消作用所发挥的形状和电荷手性的分子。
英文摘要：
B-DNA solutions of suitable concentration form left-handed chiral nematic phases (cholesterics). Such phases have also been observed in solutions of other stiff or semiflexible chiral polymers; magnitude and handedness of the cholesteric pitch are uniquely related to the molecular features. In this work we present a theoretical method and a numerical procedure which, starting from the structure of polyelectrolytes, lead to the prediction of the cholesteric pitch. Molecular expressions for the free energy of the system are obtained on the basis of steric and electrostatic interactions between polymers; the former are described in terms of excluded volume, while a mean field approximation is used for the latter. Calculations have been performed for 130 bp fragments of B-DNA. The theoretical predictions provide an explanation for the experimental behavior, by showing the counteracting role played by shape and charge chirality of the molecule.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
