The molecule-like electronic structure endows gold nanoclusters (AuNCs) a most intriguing property, fluorescence, thereby AuNCs offer a great potential for biomedical applications. Recent efforts to improve the fluorescence of AuNCs mainly focus on tailoring size, structure and chemical environments. Herein, with the help of molecular dynamics simulation, we designed tyrosine-containing peptide motifs as the reducing agents, protecting ligands to synthesis P (peptide)-AuNCs in one-step reaction, which was developed to real-time monitor the fluorescence evolution of P-AuNCs. P-AuNCs with a quantum yield of ∼ 18 % were synthesized and further demonstrated for multiple biomedical applications, such as sensing of temperature (10-55 ℃) and metal ions (with a limit of detection of 5 nM for Hg2+), as well as cell labeling and imaging. With the excellent biocompatibility, wide spectral range and potential capacity for bio-recognition, this study provides a useful one-step synthesis strategy for screening out peptide motifs to real-time modulate the optical properties of peptide-containing hybrid nanomaterials.
Keywords: Fluorescence modulation; Gold nanocluster; Molecular dynamics simulation; Nanosensor; Peptide motif.
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