Citation: Zhimin Song, Zhe Tang, Yu Zhang, Yanru Zhou, Xiaozheng Duan, Yan Du, Chong-Bo Ma. DNA-modulated Mo-Zn single-atom nanozymes: Insights from molecular dynamics simulations to smartphone-assisted biosensing[J]. Chinese Chemical Letters, ;2025, 36(10): 110680. doi: 10.1016/j.cclet.2024.110680 shu

DNA-modulated Mo-Zn single-atom nanozymes: Insights from molecular dynamics simulations to smartphone-assisted biosensing

Zhimin Song ^{a, b, c} ,
Zhe Tang ^{b, d, e} ,
Yu Zhang ^{b, c} ,
Yanru Zhou ^{b, c} ,
Xiaozheng Duan ^{b, c, f, *,} ,
Yan Du ^{b, c, *,} ,
Chong-Bo Ma ^{a, *,}

a.
Key Laboratory of Polyoxometalate and Reticular Material Chemistry of Ministry of Education, National & Local United Engineering Laboratory for Power Batteries, Key Laboratory of Nanobiosensing and Nanobioanalysis at Universities of Jilin Province, Analysis and Testing Center, Department of Chemistry, Northeast Normal University, Changchun 130024, China
b.
Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China
c.
Department of Chemistry, University of Science & Technology of China, Hefei 230026, China
d.
School of Physics Science and Technology, Yili Normal University, Yining 835000, China
e.
School of Physics, Northeast Normal University, Changchun 130024, China
f.
State Key Laboratory of Molecular Engineering of Polymers, Department of Macromolecular Science, Fudan University, Shanghai 200438, China

xzduan@ciac.ac.cn

duyan@ciac.ac.cn

macb806@nenu.edu.cn

Received Date: 6 August 2024
Revised Date: 15 October 2024
Accepted Date: 25 November 2024
Available Online: 26 November 2024

Figures(6)

Recent advancements in nanotechnology have spotlighted the catalytic potential of nanozymes, particularly single-atom nanozymes (SANs), which are pivotal for innovations in biosensing and medical diagnostics. Among others, DNA stands out as an ideal biological regulator. Its inherent programmability and interaction capabilities allow it to significantly modulate nanozyme activity. This study delves into the dynamic interplay between DNA and molybdenum-zinc single-atom nanozymes (Mo-Zn SANs). Using molecular dynamics simulations, we uncover how DNA influences the peroxidase-like activities of Mo-Zn SANs, providing a foundational understanding that broadens the application scope of SANs in biosensing. With these insights as a foundation, we developed and demonstrated a model aptasensor for point-of-care testing (POCT), utilizing a label-free colorimetric approach that leverages DNA-nanozyme interactions to achieve high-sensitivity detection of lysozyme. Our work elucidates the nuanced control DNA exerts over nanozyme functionality and illustrates the application of this molecular mechanism through a smartphone-assisted biosensing platform. This study not only underscores the practical implications of DNA-regulated Mo-Zn SANs in enhancing biosensing platforms, but also highlights the potential of single-atom nanozyme technology to revolutionize diagnostic tools through its inherent versatility and sensitivity.
- Single-atom nanozymes,
- DNA-regulated biosensors,
- Molecular dynamics simulations,
- Colorimetric aptasensing,
- Point-of-care diagnostics
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