| CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY |
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Polymorphism and Flexibility of DNA in Alcohols |
| Nan Zhang1,2, Ming-Ru Li1,2, Hui-Ting Xu1,2, and Feng-Shou Zhang1,2,3* |
1The Key Laboratory of Beam Technology and Material Modification of Ministry of Education, College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875, China
2China Beijing Radiation Center, Beijing 100875, China
3Center of Theoretical Nuclear Physics, National Laboratory of Heavy Ion Accelerator of Lanzhou, Lanzhou 730000, China
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Nan Zhang, Ming-Ru Li, Hui-Ting Xu et al 2020 Chin. Phys. Lett. 37 088701 |
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Abstract 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$\leftrightarrow$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.
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Received: 19 April 2020
Published: 28 July 2020
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| Fund: Supported by the National Natural Science Foundation of China (Grants Nos. 11635003, 11025524 and 11161130520), the National Basic Research Program of China (Grant No. 2010CB832903), and the European Commission's 7th Framework Programme (Fp7-PEOPLE-2010-IRSES) (Grant No. 269131). |
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