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Radical Autoxidation01:20

Radical Autoxidation

The oxidation of an organic compound in the presence of air or oxygen is called autoxidation. For example, cumene reacts with oxygen to form hydroperoxide. Autoxidation involves initiation, propagation, and termination steps. Many organic compounds are susceptible to autoxidation—especially ethers in the presence of oxygen, which form hydroperoxides. Even though this reaction is slow, old ether bottles contain small amounts of peroxide, which leads to laboratory explosions during ether...
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Expression and Purification of Nuclease-Free Oxygen Scavenger Protocatechuate 3,4-Dioxygenase
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Strain-Engineered FeN4 Sites Accelerate Singlet Oxygen Formation in Fenton-Like Reactions.

Anlin Xu1,2, Wenqing Wo1, Wenzheng Huang1

  • 1School of Environmental Science and Engineering, Nanjing Tech University, Nanjing, China.

Small (Weinheim an Der Bergstrasse, Germany)
|June 8, 2026
PubMed
Summary

Strain engineering of single-atom iron (FeN4) sites on carbon nanotubes (CNTs) selectively activates peroxymonosulfate (PMS) for singlet oxygen generation. This approach enhances catalytic efficiency for environmental remediation.

Keywords:
DFTadvanced oxidationantibioticsemerging contaminantsnon‐radical

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Area of Science:

  • Materials Science
  • Catalysis
  • Environmental Chemistry

Background:

  • Understanding structure-performance relationships is crucial for Fenton-like catalysis.
  • Single-atom catalysts (SACs) on nanocarriers offer high catalytic potential.
  • Nanocarrier curvature can induce strain on active sites, affecting performance.

Purpose of the Study:

  • To investigate the impact of strain on single-atom FeN4 sites anchored on carbon nanotubes (CNTs) for peroxymonosulfate (PMS) activation.
  • To elucidate the mechanism of strain-dependent reactivity in SACs.
  • To explore strain engineering as a strategy for selective reactive oxygen species generation.

Main Methods:

  • Density functional theory (DFT) calculations to model strain effects on FeN4 geometry and electronic structure.
  • Experimental validation using FeN4-CNTs with varying diameters (2, 8, and 50 nm).
  • Sulfamethazine degradation assays to evaluate catalytic performance and singlet oxygen selectivity.
  • Spectroscopic analyses to understand the electronic interactions and reaction pathways.

Main Results:

  • Curvature-induced strain in CNTs alters FeN4 geometry and electronic structure, promoting singlet oxygen (1O2) generation.
  • FeN4-CNTs with an 8 nm diameter exhibited the highest sulfamethazine degradation rate (7.2x and 5.4x higher than 2 nm and 50 nm CNTs, respectively).
  • The catalytic system demonstrated exclusive 1O2 selectivity.
  • Strain enhancement of Fe-3d and O-2p coupling facilitates electron transfer and PMS activation.

Conclusions:

  • Strain engineering is a viable strategy to tune the electronic structure of SACs for selective catalysis.
  • Rational strain on FeN4 sites on CNTs significantly enhances PMS activation for efficient 1O2 generation.
  • This work provides mechanistic insights into strain effects in SACs, paving the way for advanced environmental catalysis.