Quantum mechanical calculations of DNA nucleotides for space conditions

One of the concerns that arises with living organisms in space is the potential for DNA damage caused by radiation, compounded by the negative effects of microgravity on DNA repair. Statistical models have been generated to anticipate the prevalence of double-strand break and single-strand break. To develop a comprehensive understanding of the response of DNA to these phenomena, it is fundamental to have an atomic-level model of the phosphodiester bonds that form the backbone of the structure, the nature of the nucleotides, and the hydrogen bonds that keep the strands together. In this work, we present semi-empirical quantum mechanical calculations of individual DNA nucleotides. This research provides a starting point for the study of mechanisms for the damage and repair of DNA in space conditions.