Ion effects of Sr2+, Cs+ and I- on DNA in aqueous solutions

被引：6
|
作者：
Shen, Xin [1 ,2 ]
Ding, Ku-Ke [3 ,4 ]
Zhang, Feng-Shou [1 ,2 ,5 ]
机构：
[1] Beijing Normal Univ, Coll Nucl Sci & Technol, Key Lab Beam Technol & Mat Modificat, Minist Educ, Beijing 100875, Peoples R China
[2] Beijing Radiat Ctr, Beijing 100875, Peoples R China
[3] Natl Inst Radiol Protect, Chinese Ctr Dis Control & Prevent, Beijing 100088, Peoples R China
[4] Chinese Ctr Dis Control & Prevent, Key Lab Radiol Protect & Nucl Emergency, Beijing 100088, Peoples R China
[5] Natl Lab Heavy Ion Accelerator Lanzhou, Ctr Theoret Nucl Phys, Lanzhou 730000, Peoples R China
来源：
CHEMICAL PHYSICS LETTERS | 2013年 / 574卷
基金：
北京市自然科学基金; 中国国家自然科学基金;
关键词：
MOLECULAR-DYNAMICS SIMULATIONS; NUCLEIC-ACIDS; MINOR-GROOVE; FORCE-FIELD; NA+; HYDRATION; MOTIONS; CATIONS; BINDING; PAIR;
D O I：
10.1016/j.cplett.2013.04.029
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Molecular dynamics simulations of B-DNA in aqueous solution containing Na+ and K+ ions, or Na+, K+ and one kind of Sr-90(2+), Cs-137(+) or I-131(-) are investigated at 298 K. For the ions in the minor groove, K+ ions are dispersed as Sr2+ or Cs+ added, but Na+ ions dominate the minor groove when I- ions are added. For the ions in the major groove, the interaction of K+ and DNA becomes stronger as I- added. As for the DNA conformation, Cs+ ions affect most while Sr2+ ions the least. (C) 2013 Elsevier B.V. All rights reserved.
引用
收藏
页码：100 / 105
页数：6
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