Metzler Ralf, Dommersnes Paul G
NORDITA, Blegdamsvej 17, 2100, Copenhagen Ø, Denmark.
Eur Biophys J. 2004 Oct;33(6):497-505. doi: 10.1007/s00249-003-0385-9. Epub 2004 Feb 26.
We investigate multilayered helical packaging of double-stranded DNA, or of a general polymer chain with persistence length lb, into an ideal, inert cylindrical container, reaching densities slightly below close packaging. We calculate the free energy as a function of the packaged length, based on the energies for bending, twisting, the suffered entropy loss, and the electrostatic energy in a Debye-Hückel model. In the absence of charges on the packaged polymer, a critical packaging force can be determined, similar to the mechanism involved in DNA unzipping models. When charges are taken into consideration, in the final packaging state the charges which are chemically distant become geometrically close, and therefore a steep rise is seen in the free energy. We argue that due to the extremely ordered and almost closely packaged final state the actual packaging geometry does not influence the behaviour of the free energy, pointing towards a certain universality of this state of the polymer. Our findings are compared to a recent simulations study, showing that the model is sensitive to the screening length.
我们研究双链DNA或具有持久长度(l_b)的一般聚合物链在理想的惰性圆柱形容器中的多层螺旋包装,达到略低于紧密包装的密度。基于弯曲、扭转能量、遭受的熵损失以及德拜-休克尔模型中的静电能,我们计算自由能作为包装长度的函数。在包装聚合物不带电的情况下,可以确定一个临界包装力,类似于DNA解链模型中涉及的机制。当考虑电荷时,在最终包装状态下,化学距离较远的电荷变得几何距离很近,因此自由能会急剧上升。我们认为,由于最终状态极其有序且几乎紧密包装,实际包装几何形状不会影响自由能的行为,这表明聚合物的这种状态具有一定的普遍性。我们的发现与最近的一项模拟研究进行了比较,结果表明该模型对屏蔽长度敏感。