The impact of radicals in cold atmospheric plasma on the structural modification of gap junction: a reactive molecular dynamics study

Cold atmospheric plasmas are currently gaining increasing attention for cancer therapy. However, very limited studies regarding the interaction mechanisms between plasma species and tissues are available. We report the interaction of plasma produced species ( ∗OH and HO2∗) with gap junction by employing reactive molecular dynamics simulations. Our results indicate ∗OH and HO2∗ radicals can chemically react with N-terminal of gap junction resulting in its structural damage. There are two breaking mechanisms being identified: C-N peptide bonds and C-C bonds can be damaged by ∗OH and HO2∗ radicals, respectively. Our findings could be particularly important for understanding the plasma-generated reactive species triggering bystander effect based on gap junction intercellular communication.