Terrissol Michel, Peudon Aude, Kummerle Eberhard, Pomplun Ekkehard
Laplace, Universite Paul Sabatier, Toulouse, France.
Int J Radiat Biol. 2008 Dec;84(12):1063-8. doi: 10.1080/09553000802552150.
To evaluate DNA damage of Auger emitters by numerical modelling at the molecular level.
Energy emission spectra of I-123 and I-125 were used as input data for a computer code that simulates the complete transport of electrons and photons from the physical stage up to the primary chemical stage at 10(-7) s. The simulation was performed in a complex environment of liquid water, DNA structures and scavengers. Electron and photon interactions with the DNA molecules were carefully managed. Simulations were carried out with both I-123 and I-125 bound to a pBR322 plasmid or free in its vicinity.
The distributions of direct and indirect single strand breaks (SSB) and double strand breaks (DSB) as a function of the kinetic energy of the emitted Auger electrons show that damage is caused primarily by electrons with energies lower than 800 eV, while higher energy electrons are mainly involved in indirect effects. The yields per unit energy emitted strengthen this fact. When compared to experimental values, the calculated yields of linearization (LE) and relaxation (RE) events show good agreement as well as does the ratio LE/RE for each radionuclide and the ratio I-125/I-123 in the case of LE.
通过分子水平的数值模拟评估俄歇发射体的DNA损伤。
将I - 123和I - 125的能量发射光谱用作计算机代码的输入数据,该代码模拟电子和光子从物理阶段到10(-7)秒时初级化学阶段的完整传输。模拟在液态水、DNA结构和清除剂的复杂环境中进行。仔细处理电子和光子与DNA分子的相互作用。使用与pBR322质粒结合或在其附近游离的I - 123和I - 125进行模拟。
作为发射的俄歇电子动能函数的直接和间接单链断裂(SSB)及双链断裂(DSB)的分布表明,损伤主要由能量低于800 eV的电子引起,而较高能量的电子主要参与间接效应。每单位发射能量的产额强化了这一事实。与实验值相比,计算得到的线性化(LE)和弛豫(RE)事件产额显示出良好的一致性,并且每种放射性核素的LE/RE比值以及LE情况下的I - 125/I - 123比值也是如此。