Spatially Axial Boron Coordinated Single‐Atom Nanozymes with Boosted Multi‐Enzymatic Performances for Periodontitis Treatment

AbstractSingle‐atom nanozymes (SAzymes) have made significant strides in antibacterial treatment but fall short as natural enzyme and drug replacements due to limited catalytic performance. Here, a rational strategy is presented for incorporating spatially axial boron (B) ligands to effectively modulate the local coordination environment of planar Fe─N4 motifs (Fe─B/N─C SAzymes). With electronic modulation, the Fe─B/N─C SAzymes exhibit significantly enhanced oxidase‐, peroxidase‐, and catalase‐like activities. Theoretical calculations highlight that the spatially axial B ligands effectively adjust the charge distribution around the planar Fe─N4 active center, which facilitates the heterolysis of H2O2 and the desorption of O2, resulting in accelerated H2O2 decomposition. Furthermore, the intrinsic photothermal effect of Fe─B/N─C SAzymes enhances multienzyme‐like activities, rapidly generating abundant reactive oxygen species (ROS), and achieving chemodynamic/photothermal synergistic therapy for impressive disinfection against periodontal‐related pathogenic bacteria. These findings offer a distinctive viewpoint for optimizing the local coordination environment of SAzymes with axial ligand to enhance their catalytic performance and effectiveness in periodontitis therapy.