Description
DNA carries the genetic information of living organisms. Understanding its physical properties is essential for elucidating the molecular mechanisms underlying its biological functions and remains a central challenge in biophysics, molecular biology, and biochemistry. At the same time, its availability and unique structural properties make DNA an attractive platform for developing functional materials [1]. Metallized DNA, in which metals (Ag, Au, Pt and other) are incorporated into the macromolecular structure, is of particular interest. Such DNA-based novel materials offer promising opportunities for developing one-dimensional nanowires, motivating investigations of their electronic properties, including their potential for superconducting behavior.
This presentation will highlight the key properties of DNA that are important for understanding its biological role and for technological applications. The primary focus will be on metallized Ag-DNA structures. In particular, two distinct Ag-DNA structural motifs will be considered [2,3]. In the case of the first structure, the Watson-Crick base pairing is preserved, with Ag+ ions incorporated within the base pairs [2]. In the second structure, it disrupts the original base-pairing arrangement [3]. The results of quantum-chemical calculations at DFT-D3 level with SMD solvation model for such structures will be presented, and the stability of such systems will be discussed [4,5]. The prospects and physical constraints of superconductivity in metallized DNA will also be discussed. These results provide a molecular-level basis for understanding Ag-mediated DNA metallization and guide the development of functional DNA-based materials.
References
1. Perepelytsya S, Piatnytskyi D, Bubon T, Cibotariu N, Laaksonen A, Mocci F. Ions as Architects of DNA Nanostructures: Mechanisms, Simulations, and Technological Frontiers. Small Structures 2026;7:e202500786. https://doi.org/10.1002/sstr.202500786.
2. Kondo J, Tada Y, Dairaku T, Hattori Y, Saneyoshi H, Ono A, et al. A metallo-DNA nanowire with uninterrupted one-dimensional silver array. Nature Chemistry 2017;9:956–60. https://doi.org/10.1038/nchem.2808.
3. Javornik U, Pérez-Romero A, López-Chamorro C, Smith RM, Dobado JA, Palacios O, et al. Unveiling the solution structure of a DNA duplex with continuous silver-modified Watson-Crick base pairs. Nat Commun 2024;15:7763. https://doi.org/10.1038/s41467-024-51876-8.
4. Osokin Y, Perepelytsya S. Stability of Ag-DNA nucleotide base complexes: A quantum-chemical study. Low Temperature Physics 2026;52:542–52. https://doi.org/10.1063/10.0043341.
5. Osokin Y, Perepelytsya S. Ag-mediated base pairs in metallized DNA: electronic structure and stability. Next Materials (submitted).
