Synthetic Iron Model of Carbon-Sulfur Bond Activation by Methylthio-Alkane Reductase

A computational chemistry report explores a synthetic iron complex as a functional model for the methylthio-alkane reductase enzyme. The study includes kinetic data, isotope effects, and analysis of a key intermediate where C–S bond strength decreases by 44 kcal mol⁻¹. The dataset, authored by Christian M. Johansen, was last updated on 2026-05-18.

Use Cases

• Modeling enzyme reaction pathways based on the described synthetic iron complex.
• Analyzing kinetic isotope effects and Eyring parameters from the reported kinetic studies.
• Comparing substrate activation modes between dinitrogen and thioalkane reduction as described.

Strengths

• Includes specific kinetic data, such as a measured C–S bond strength decrease of 44 kcal mol⁻¹.
• Reports on a broad scope of thioalkane reactivity and Van’t Hoff parameters.

Limitations

• Description metadata is limited; actual data quality requires manual inspection after download.
• Column-level documentation is absent; field semantics must be inferred after download.

Provenance

Source

figshare

Freshness

Last updated 2026-05-18 23:43:37; freshness should be verified.