Department of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV, Amsterdam (The, Netherlands.
Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, Einsteinweg 55, 2300 CC, Leiden (The, Netherlands.
ChemistryOpen. 2022 Feb;11(2):e202200013. doi: 10.1002/open.202200013.
Invited for this month's cover are the groups of Célia Fonseca Guerra at the Vrije Universiteit Amsterdam and Leiden University, Giampaolo Barone from the Università degli Studi di Palermo, and F. Matthias Bickelhaupt at Vrije Universiteit Amsterdam and Radboud University Nijmegen. The cover picture shows the four primary interaction components (hydrogen bonding, cross-terms, base stacking, and solvation) that determine the stability of B-DNA duplexes. Quantum chemical analyses identify an interplay between the stabilizing hydrogen bonds between nucleotides that drive the formation of the DNA double-strand, and the destabilizing loss of stacking interactions within individual strands combined with partial desolvation. The sequence-dependence in the duplex stability originates mainly from the cross-terms, which can be attractive or repulsive. Read the full text of their Research Article at 10.1002/open.202100231.
本月的封面邀请到了阿姆斯特丹自由大学和莱顿大学的 Célia Fonseca Guerra 小组、巴勒莫大学的 Giampaolo Barone 以及阿姆斯特丹自由大学和内梅亨拉德堡德大学的 F. Matthias Bickelhaupt。该封面图片显示了决定 B-DNA 双螺旋体稳定性的四个主要相互作用组件（氢键、交叉项、碱基堆积和溶剂化）。量子化学分析确定了驱动 DNA 双链形成的核苷酸之间稳定氢键与单个链中堆叠相互作用的破坏以及部分去溶剂化导致的不稳定之间的相互作用。双链稳定性的序列依赖性主要源于交叉项，它可以是吸引的或排斥的。在 10.1002/open.202100231 上阅读他们的研究文章全文。
