Mo-terminated edges in two-dimensional molybdenum disulfide for site-specific hydrolysis and DNA cleavage

Schematic diagram of site-specific DNA cleavage by Mo-terminated edges in MoS 2 . • The site-specific DNA cleavage by MoS 2 defect was firstly achieved. • DNA cleavage by MoS 2 perform better activity stability and thermal denaturation. • There is favorable absorption and charge transfer between thymine and MoS 2 . The hydrolysis of DNA serves as the foundational principle for gene engineering that enable precise gene cleavage at the molecular level. This process typically occurs in biological nucleases, which exhibit nucleobase-selective and catalytic hydrolysis capabilities rarely replicated in abiotic nanomaterials. Here, we demonstrate that molybdenum-terminated (Mo-terminated) edges of molybdenum disulfide (MoS 2 ) possess the unique ability to abstract a proton (H + ) from water molecules, thereby facilitating catalytic hydrolysis reactions that cleave the phosphodiester bonds in DNA through the action of hydroxide ions. The enhanced proton absorption at Mo-terminated edges of MoS 2 significantly reduces the activation energy required for the DNA hydrolysis reaction. Furthermore, the favorable interaction between the Mo-terminated edges and thymine nucleobases promotes both charge transfer and P-O bond cleavage, enabling targeted DNA hydrolysis at 'TTTTTTT' sequences under dark conditions. This discovery underscores the potential of MoS 2 as a stable, efficient nanosystem for precise genetic editing, heralding advanced applications in the field of gene engineering.