First-principles study of molecular hydrogen binding to heme in competition with O2, NO and CO.
Yun-Kyong Ri, Song-Ae Kim, Yun-Hyok Kye, Yu-Chol Jong, Myong-Su Kang, Chol-Jun Yu · RSC advances · 2024
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Independent study record
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H2HUBB TAKEAWAY
Through analysis of optimized geometries and energetics, it is found that the order of binding strength of DMs or H to the Fe of heme is NO > O₂ > CO > H for FePIm-based systems, while it is H > O₂ > NO > CO > H₂ for model-based systems. This source-grounded publication contributes evidence relevant to molecular hydrogen and is retained in a transparent general research category when a more specific study design is not supported by the indexed record.
What the Findings Mean
H2HUBB reviewed how molecular hydrogen was evaluated in this publication and summarizes the source-grounded findings below. Through analysis of optimized geometries and energetics, it is found that the order of binding strength of DMs or H to the Fe of heme is NO > O₂ > CO > H for FePIm-based systems, while it is H > O₂ > NO > CO > H₂ for model-based systems.
What Effects Did Molecular Hydrogen Have?
Molecular hydrogen shows antioxidant activity and distinct efficacy towards vascular diseases, but the understanding of this is not yet satisfactory at the atomic level. Through analysis of optimized geometries and energetics, it is found that the order of binding strength of DMs or H to the Fe of heme is NO > O₂ > CO > H for FePIm-based systems, while it is H > O₂ > NO > CO > H₂ for model-based systems. The authors concluded that 4 In this work, the researchers have studied the binding properties of molecular hydrogen to heme in competition with DMs, and their displacement reactions, using DFT and VTST calculations.
Why These Findings Matter
These findings add evidence supporting molecular hydrogen's therapeutic potential within the biological process and outcomes directly measured in this publication and contribute to the growing body of molecular-hydrogen research.
How Strong Is This Evidence?
H2HUBB classifies this publication as other research and interprets only the outcomes directly supported by the source record.
Technical Study Details
H2HUBB classifies this publication as other research with other supported evidence.
Limitations and Safety
No separate limitations or safety findings were identified in the current-study source text available to H2HUBB.
Original Study and H2HUBB Research Context
H2HUBB presents this source-grounded research record as one contribution to the broader molecular-hydrogen evidence base.
What the Researchers Studied
The available source identifies this publication as other research. A more specific population or model was not separately reported in the source text available to H2HUBB.