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过量的电子与溶解DNA核酸的相互作用:在室温下可能发生链断裂

Maeve Smyth¹, Jorge Kohanoff

¹Atomistic Simulation Centre, Queen's University Belfast, UK.

Journal of the American Chemical Society

|May 22, 2012

概括

由电离辐射产生的低能电子可以导致DNA链断裂. 我们的研究发现了DNA中基键裂变的低能量的障碍,在室温下支持这种机制.

科学领域:

生物物理学的生物物理.
辐射化学辐射化学
分子生物学分子生物学

背景情况:

电离辐射在生物物质中产生低能电子 (<20 eV).
这些电子与DNA相互作用,核基具有较高的电子亲和力.
之前的研究表明,核基吸引这些过剩的电子在化DNA碎片中.

研究的目的:

研究低能电子对DNA的长期影响.
为了确定基 C(3') -O(3') 断裂在化核酸中的自由能量障碍.
评估低能电子诱导DNA链断裂的潜力.

主要方法:

第一原则计算研究.
计算完全溶解核酸中键裂解的自由能量障碍.
对电子诱导的DNA损伤机制的分析.

主要成果:

对于酸核酸的二C(3') -O(3') 键裂解的自由能量障碍被计算出来.
除了脱氧腺胺单酸盐 (dAMP),障碍物大约为6kcal/mol.
这些较低的壁垒表明,由于溶剂和热量的波动,在300K时有规律的键裂.

结论:

低能量的电子可以导致DNA链断裂.
可能的结果是基C(3') -O(3') 键的裂变.
这些发现支持低能电子在DNA损伤中的作用.

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