Zohra Fatema Tuz, Al-Zuhairi Huda, Reinoza Jefferson, Kim HyeongJun, Hanke Andreas
Department of Mechanical Engineering, University of Texas Rio Grande Valley, Edinburg, Texas, United States of America.
Department of Physics and Astronomy, University of Texas Rio Grande Valley, Edinburg, Texas, United States of America.
PLoS One. 2025 Aug 25;20(8):e0329961. doi: 10.1371/journal.pone.0329961. eCollection 2025.
DNA flow-stretching is a widely employed, powerful technique for investigating the mechanisms of DNA-binding proteins involved in compacting and organizing chromosomal DNA. We combine single-molecule DNA flow-stretching experiments with Brownian dynamics simulations to study the effect of the crowding agent polyethylene glycol (PEG) in these experiments. PEG interacts with DNA by an excluded volume effect, resulting in compaction of single, free DNA molecules in PEG solutions. In addition, PEG increases the viscosity of the buffer solution. By stretching surface-tethered bacteriophage lambda DNA in a flow cell and tracking the positions of a quantum dot labeled at the free DNA end using total internal reflection fluorescence (TIRF) microscopy, we find that higher PEG concentrations result in increased end-to-end length of flow-stretched DNA and decreased fluctuations of the free DNA end. To better understand our experimental results, we perform Brownian dynamics simulations of a bead-spring chain model of flow-stretched DNA in a viscous buffer that models the excluded volume effect of PEG by an effective attractive interaction between DNA segments. We find quantitative agreement between our model and the experimental results for suitable PEG-DNA interaction parameters.
DNA 流延拉伸是一种广泛应用的强大技术,用于研究参与压缩和组织染色体 DNA 的 DNA 结合蛋白的机制。我们将单分子 DNA 流延拉伸实验与布朗动力学模拟相结合,以研究在这些实验中拥挤剂聚乙二醇(PEG)的作用。PEG 通过排除体积效应与 DNA 相互作用,导致 PEG 溶液中单个游离 DNA 分子的压缩。此外,PEG 增加了缓冲溶液的粘度。通过在流动池中拉伸表面 tethered 的噬菌体 lambda DNA,并使用全内反射荧光(TIRF)显微镜跟踪标记在游离 DNA 末端的量子点的位置,我们发现较高的 PEG 浓度会导致流延拉伸 DNA 的端到端长度增加,并且游离 DNA 末端的波动减小。为了更好地理解我们的实验结果,我们对粘性缓冲液中流延拉伸 DNA 的珠弹簧链模型进行了布朗动力学模拟,该模型通过 DNA 片段之间的有效吸引相互作用来模拟 PEG 的排除体积效应。对于合适的 PEG-DNA 相互作用参数,我们发现我们的模型与实验结果之间存在定量一致性。