Abstract
Nuclear electric resonance (NER) offers a method of controlling nuclear spins using electric field gradients (EFGs), which is a critical concept in quantum computing. In this study, we focus on nitrogen atoms in DNA, which have a nuclear spin of 1 and are influenced by EFGs. Utilizing molecular dynamics simulations, quantum chemical computations, and theoretical analyses, we studied the characteristics of EFGs in the context of DNA. Our results show that the orientation patterns of the EFGs at the positions of nitrogen atoms in DNA bases vary with different types of bases and nitrogen atom sites. Consequently, the genetic and structural information of DNA is encoded into the direction of the nitrogen nuclear spins. Furthermore, the interaction and evolution of these nitrogen nuclear spins with surrounding nuclear spins suggest the potential for quantum computing of genetic information. Our findings not only provide new insights into quantum phenomena in biological systems but also lay the groundwork for expanding the theoretical foundations of DNA quantum computing and offer innovative approaches for the design of future biocompatible quantum computers.
Published Version
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