Simulación computacional de la radiólisis del agua inducida por radiación de baja LET y su impacto en las rupturas de cadenas de ADN

Abstract

The consequences of ionizing radiation on biological material represent a broad field of study that ranges from radiological protection to medicine. The main focus in this area is on direct damage, which occurs when radiation interacts directly with DNA molecules, breaking the bonds immediately. On the other hand, indirect effects result from water radiolysis caused by radiation, where free radicals are produced, such as hidroxilo (OH+), ion de hidroxilo (OH−), electrón solvatado (eaq), molécula de hidrógeno (H2), hidrógeno (H), hidronio (H3O+), and peróxido de hidrógeno (H3O2). Due to the high production rate of these radicals, they migrate through the cellular medium until they encounter DNA, sometimes causing even greater damage than that produced by the direct effect of radiation. This occurs because indirect effects can extend to different areas within the cell, forming cumulative and less specific damage, which makes repair during treatment less likely or more prone to errors, increasing the chances of mutations and even permanent damage. To understand the damage that free radicals can cause to the DNA structure, it is essential to study the effects of low-LET radiation. This type of radiation induces DNA damage indirectly through reactive chemical species generated during water radiolysis. Moreover, the availability of reliable experimental data for low-LET radiation allows for accurate validation of simulation models, facilitating the study of indirect damage relevant to both medical applications and environmental exposures.