Electronic and Steric Effects on Oxygen Reactivities of NiFeSe Complexes Related to O2-Damaged [NiFeSe]-Hydrogenases’ Active Site

Qiao, Yuchen; Xu, Enting; Hao, Yameng; Yang, Xuemei; Ni, Ming

doi:10.3390/inorganics12060163

Open AccessArticle

Electronic and Steric Effects on Oxygen Reactivities of NiFeSe Complexes Related to O₂-Damaged [NiFeSe]-Hydrogenases’ Active Site

by

Yuchen Qiao

^1,†,

Enting Xu

^2,†,

Yameng Hao

²,

Xuemei Yang

^2,* and

Ming Ni

^1,*

¹

BGI Research, Shenzhen 518083, China

²

School of Science, Harbin Institute of Technology (Shenzhen), Shenzhen 518055, China

^*

Authors to whom correspondence should be addressed.

^†

These authors contributed equally to this work.

Inorganics 2024, 12(6), 163; https://doi.org/10.3390/inorganics12060163

Submission received: 7 May 2024 / Revised: 4 June 2024 / Accepted: 7 June 2024 / Published: 10 June 2024

(This article belongs to the Special Issue Metal Complexes Diversity: Synthesis, Conformations, and Bioactivity)

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Abstract

Hydrogen has the potential to serve as a new energy resource, reducing greenhouse gas emissions that contribute to climate change. Natural hydrogenases exhibit impressive catalytic abilities for hydrogen production, but they often lack oxygen tolerance. Oxygen-tolerant hydrogenases can work under oxygen by reacting with oxygen to form inactive states, which can be reactivated to catalytic states by oxygen atom removal. Herein, we synthesized three NiFeSe complexes: (NiSe(CH₃)FeCp, NiSe(CH₃)FeCp* and NiSe(Ph^NMe2)FeCp) with features of active sites of [NiFeSe]-H₂ases, which are the oxygen-tolerant hydrogenases, and we investigated the influence of electronic and steric factors on the oxygen reaction of these “biomimetic” complexes. In our research, we found that they react with oxygen, forming 1-oxygen species, which is related to the O₂-damaged [NiFeSe] active site. Through a comparative analysis of oxygen reactions, we have discovered that electronic factors and steric hindrance on Se play a significant role in determining the oxygen reactivity of NiFe complexes related to hydrogenases’ active sites.

Keywords: hydrogenases biomimetics; oxygen tolerance; electronic effect; steric effect

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MDPI and ACS Style

Qiao, Y.; Xu, E.; Hao, Y.; Yang, X.; Ni, M. Electronic and Steric Effects on Oxygen Reactivities of NiFeSe Complexes Related to O₂-Damaged [NiFeSe]-Hydrogenases’ Active Site. Inorganics 2024, 12, 163. https://doi.org/10.3390/inorganics12060163

AMA Style

Qiao Y, Xu E, Hao Y, Yang X, Ni M. Electronic and Steric Effects on Oxygen Reactivities of NiFeSe Complexes Related to O₂-Damaged [NiFeSe]-Hydrogenases’ Active Site. Inorganics. 2024; 12(6):163. https://doi.org/10.3390/inorganics12060163

Chicago/Turabian Style

Qiao, Yuchen, Enting Xu, Yameng Hao, Xuemei Yang, and Ming Ni. 2024. "Electronic and Steric Effects on Oxygen Reactivities of NiFeSe Complexes Related to O₂-Damaged [NiFeSe]-Hydrogenases’ Active Site" Inorganics 12, no. 6: 163. https://doi.org/10.3390/inorganics12060163

APA Style

Qiao, Y., Xu, E., Hao, Y., Yang, X., & Ni, M. (2024). Electronic and Steric Effects on Oxygen Reactivities of NiFeSe Complexes Related to O₂-Damaged [NiFeSe]-Hydrogenases’ Active Site. Inorganics, 12(6), 163. https://doi.org/10.3390/inorganics12060163

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Electronic and Steric Effects on Oxygen Reactivities of NiFeSe Complexes Related to O₂-Damaged [NiFeSe]-Hydrogenases’ Active Site

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