Center for Environmental and Climate Science, Lund University, Sweden.
Department of Physics, IIT (BHU), Varanasi, India.
Soft Matter. 2023 Jul 26;19(29):5477-5486. doi: 10.1039/d3sm00037k.
The self avoiding walk (SAW) model of the polymer has been extended to study the equilibrium properties of double stranded DNA (dsDNA) where two strands of the dsDNA are modeled by two mutually attracting self-avoiding walks (MASAWs) in the presence of an attractive surface. We study simultaneous adsorption and force induced melting transitions and explore different phases of DNA. It is observed that melting is entropically dominated, which can be substantially reduced under the application of an applied force. We consider three scenarios, where the surface is weakly, moderately and highly attractive. For both weakly and moderately attractive surfaces, the DNA desorbs from the surface in a zipped form and acquires the conformation of a melted state with the rise in temperature. However, for a strongly attractive surface, the force applied at one end of the strand (strand-II) results in unzipping, while the other strand (strand-I) remains adsorbed on the surface. We identify this as adsorption-induced unzipping, where the force applied on a single strand (strand-II) can unzip the dsDNA if the surface interaction energy exceeds a specific threshold. We also note that at a moderate surface attraction, the desorbed-zipped DNA melts with an increase in temperature and the free strand (strand-I) gets re-adsorbed onto the surface.
聚合物的自回避行走(SAW)模型已被扩展用于研究双链 DNA(dsDNA)的平衡性质,其中 dsDNA 的两条链在存在吸引力表面的情况下由两条相互吸引的自回避行走(MASAW)建模。我们研究了同时的吸附和力诱导的熔融转变,并探索了 DNA 的不同相。观察到熔融是熵驱动的,在施加外力的情况下可以大大降低。我们考虑了三种情况,其中表面分别是弱、中、强吸引力。对于弱和中吸引力的表面,DNA 以拉链形式从表面解吸,并随着温度的升高获得熔融状态的构象。然而,对于强吸引力的表面,施加在链的一端(链-II)的力导致解链,而另一条链(链-I)仍吸附在表面上。我们将其识别为吸附诱导的解链,其中如果表面相互作用能超过特定阈值,施加在单链(链-II)上的力可以解链 dsDNA。我们还注意到,在中等表面吸引力下,随着温度的升高,解吸的拉链 DNA 会熔融,并且自由链(链-I)重新吸附到表面上。