▎ 摘　　要

Hybrids formed by DNA/RNA and graphene family nanomaterials are considered as potentially useful multifunctional agents in biosensing and nanomedicine. In this work, we study the noncovalent interaction between double-stranded (ds) RNA, polyadenylic:polyuridylic acids (poly(A:U)) and graphene oxide/graphene (GO/Gr) using UV absorption spectroscopy and molecular dynamics (MD) simulations. RNA melting showed that relatively long ds-RNA is adsorbed onto GO (at an ionic strength of similar to 0.1M) at that a large fraction of RNA maintains the duplex structure. It was revealed that this fraction decreases over long time (during a few days), indicating a slow adsorption process of the long polymer. MD simulations showed that the adsorption of duplex (rA)15: (rU)15 or (rA)30: (rU)30 on graphene starts with the interaction between -systems of graphene and base pairs located at a duplex tail. In contrast to relatively long duplex (rA)30: (rU)30 which keeps parallel arrangement along the graphene surface, the shorter one ((rA)15: (rU)15) always adopts a perpendicular orientation relative to graphene even in case of the initial parallel orientation. It was found out that (rA)30: (rU)30 forms the stable hybrid with graphene keeping essential fraction of the duplex, while (rA)15: (rU)15 demonstrates the duplex unzipping into two single strands with time. The interaction energies between adenine/uracil stacked with graphene as well between nucleotides in water environment were determined.