Polymorphism and Flexibility of DNA in Alcohols

• 作者: Feng-Shou Zhang Hui-Ting Xu Ming-Ru Li Nan Zhang
• 来源期刊: 中国物理快报（英文版）
• 年，卷（期）: 2020,（8）
• 所属期刊栏目: CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY
• 页码范围: 194-199
• 页数: 6页
• 语种: 英文
• DOI: 10.1088/0256-307X/37/8/088701

摘要

Molecular dynamics simulations are performed to investigate the polymorphism and flexibility of DNA in water,ethylene glycol (EG) and ethanol (EA) solutions.DNA in EG resembles the structure of DNA in water exhibiting B-DNA.In contrast,the DNA is an A-DNA state in the EA.We demonstrate that one important cause of these A(→)B state changes is the competition between hydration and direct cation coupling to the phosphate groups on DNA backbones.To DNA structural polymorphism,it is caused by competition between hydration and cation coupling to the base pairs on grooves.Unlike flexible DNA in water and EA,DNA is immobilized around the canonical structure in EG solution,eliminating the potential biological effects of less common non-canonical DNA sub-states.