Dipartimento di Biotecnologie Mediche e Medicina Traslazionale, Università degli Studi di Milano, Milano, Italy.
Física Teórica, Universidad de Sevilla, Sevilla, Spain.
PLoS Comput Biol. 2022 Apr 11;18(4):e1010051. doi: 10.1371/journal.pcbi.1010051. eCollection 2022 Apr.
Understanding of the pairing statistics in solutions populated by a large number of distinct solute species with mutual interactions is a challenging topic, relevant in modeling the complexity of real biological systems. Here we describe, both experimentally and theoretically, the formation of duplexes in a solution of random-sequence DNA (rsDNA) oligomers of length L = 8, 12, 20 nucleotides. rsDNA solutions are formed by 4L distinct molecular species, leading to a variety of pairing motifs that depend on sequence complementarity and range from strongly bound, fully paired defectless helices to weakly interacting mismatched duplexes. Experiments and theory coherently combine revealing a hybridization statistics characterized by a prevalence of partially defected duplexes, with a distribution of type and number of pairing errors that depends on temperature. We find that despite the enormous multitude of inter-strand interactions, defectless duplexes are formed, involving a fraction up to 15% of the rsDNA chains at the lowest temperatures. Experiments and theory are limited here to equilibrium conditions.
理解由大量具有相互作用的不同溶质物种组成的溶液中的配对统计数据是一个具有挑战性的课题,与模拟真实生物系统的复杂性相关。在这里,我们通过实验和理论描述了长度为 8、12、20 个核苷酸的随机序列 DNA(rsDNA)寡聚物溶液中双链体的形成。rsDNA 溶液由 4L 不同的分子物种组成,导致各种配对模式,这些模式取决于序列互补性,范围从结合紧密、完全配对的无缺陷螺旋到相互作用较弱的错配双链体。实验和理论一致结合,揭示了杂交统计数据的特征是部分缺陷双链体的普遍性,以及与温度有关的配对错误的类型和数量分布。我们发现,尽管存在大量的链间相互作用,但仍形成了无缺陷的双链体,在最低温度下涉及高达 rsDNA 链的 15%的部分。实验和理论仅限于平衡条件。