Highly stretched single polymers:: Atomic-force-microscope experiments versus ab-initio theory -: art. no. 048301
Highly stretched single polymers:: Atomic-force-microscope experiments versus ab-initio theory -: art. no. 048301
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DOI：
10.1103/physrevlett.94.048301
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发表时间：
2005-02-04
影响因子：
8.6
通讯作者：
Netz, RR
中科院分区：
文献类型：
--
作者：
Hugel, T;Rief, M;Netz, RR
将三种主链结构（单链 DNA、各种类型的肽、聚乙烯胺）的实验单分子拉伸曲线与相应的量子化学（零温度）从头计算在高达 2 纳牛顿的高力范围内进行定量比较。对于高力，通过将聚合物的轮廓长度作为唯一的拟合参数来获得定量一致性。对于较小的力，链波动的影响可以通过使用自由旋转链模型的拉伸响应的最新理论结果来解释。
Experimental single-molecule stretching curves for three backbone architectures (single-stranded DNA, various types of peptides, polyvinylamine) are quantitatively compared with corresponding quantum-chemical (zero-temperature) ab-initio calculations in the high-force range of up to two nanonewtons. For high forces, quantitative agreement is obtained with the contour length of the polymers as the only fitting parameter. For smaller forces, the effects of chain fluctuations are accounted for by using recent theoretical results for the stretching response of a freely-rotating-chain model.