Modeling single chain elasticity of single-stranded DNA: A comparison of three models
Modeling single chain elasticity of single-stranded DNA: A comparison of three models
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单链 DNA 的单链弹性建模：三种模型的比较
DOI：
10.1016/j.polymer.2008.12.012
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发表时间：
2009-01-28
期刊：
影响因子：
4.6
通讯作者：
Lin, Zhangbi
中科院分区：
文献类型：
--
作者：
Cui, Shuxun;Yu, You;Lin, Zhangbi
聚合物的主要模型，即，将量子力学从头计算得到的单分子固有弹性积分，修正了自由连接链（FJC）模型、蠕虫链（WLC）模型和自由旋转链（FRC）模型. QM修正模型已被用来生成拟合曲线的单链DNA在有机溶剂中获得。对拟合曲线与实验力曲线的偏差分析表明，QM-FRC和QM-FJC模型适用于ssDNA，而QM-WLC模型不适用于ssDNA。在QM-FJC模型中，ssDNA的一个重复单元对应于一个Kuhn片段，在QM-FRC模型中，ssDNA的两个旋转单元对应于两个重复单元。由于与聚合物的固有弹性和真实的分子结构密切相关，QM-FJC和QM-FRC是结构相关模型。(C)2008爱思唯尔有限公司保留所有权利。
The dominant models of polymers, i.e., the freely jointed chain (FJC) model, the wormlike chain (WLC) model and the freely rotating chain (FRC) model are modified by integrating the inherent single-molecule elasticity obtained from quantum mechanics (QM) ab-initio calculations. The QM modified models have been utilized to generate fitting curves for single-stranded DNA obtained in organic solvent. The analyses on the deviation between the fitting curve and the experimental force curve demonstrate that the QM-FRC and QM-FJC model are suitable for ssDNA, but not the QM-WLC model. We also find that one repeating unit of ssDNA is corresponding to a Kuhn segment in QM-FJC model or two rotating units in QM-FRC. Having close correlation to the inherent elasticity and real molecular structure of the polymer, QM-FJC and QM-FRC are emerging as structure relevant models. (C) 2008 Elsevier Ltd. All rights reserved.