ArticleJournal of the American Chemical Society2019
Energetics and Dynamics of Proton-Coupled Electron Transfer in the NADH/FMN Site of Respiratory Complex I.
Article in Journal of the American Chemical Society, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.
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Who cites it
20 citing papers in PubMed, 80 citations in OpenAlex.
- Mitochondrial complex I as a master regulator of redox signaling: From structural architecture to directionality of electron transport.Free radical biology & medicine · 2026Review
- Identification of Key Residues in Allosteric Signaling of Photoactivated Adenylyl Cyclase.bioRxiv : the preprint server for biology · 2026Article
- Targeting the Electron Transport System for Enhanced Longevity.Biomolecules · 2025Review
- Molecular principles of redox-coupled sodium pumping of the ancient Rnf machinery.Nature communications · 2025Article
- Mechanism of mitochondrial oxidative phosphorylation disorder in male infertility.Chinese medical journal · 2025Review
- Proton Tunneling Allows a Proton-Coupled Electron Transfer Process in the Cancer Cell.JACS Au · 2024Article
- Optically Gated Dissociation of a Heptazinyl Radical Liberates HACS physical chemistry Au · 2024Article
- Characterization and antitumor effect of doxorubicin-loaded FeRSC advances · 2024Article
- The use of NADH anisotropy to investigate mitochondrial cristae alignment.Scientific reports · 2024Article
- Aminoglycoside uptake, stress, and potentiation in Gram-negative bacteria: new therapies with old molecules.Microbiology and molecular biology reviews : MMBR · 2023Review
- Mitochondrial Cristae Morphology Reflecting Metabolism, Superoxide Formation, Redox Homeostasis, and Pathology.Antioxidants & redox signaling · 2023Review
- Charge Regulation in a Rieske Proton Pump Pinpoints Zero, One, and Two Proton-Coupled Electron Transfer.Journal of the American Chemical Society · 2023Article
- Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.Journal of the American Chemical Society · 2023Article
- Electro-polarization of protein-like substances accelerates trans-cell-wall electron transfer in microbial extracellular respiration.iScience · 2023Article
- Theoretical Modeling of Redox Potentials of Biomolecules.Molecules (Basel, Switzerland) · 2022Review
- Resolving Chemical Dynamics in Biological Energy Conversion: Long-Range Proton-Coupled Electron Transfer in Respiratory Complex I.Accounts of chemical research · 2021Article
- Quantitative Estimation of the Hydrogen-Atom-Donating Ability of 4-Substituted Hantzsch Ester Radical Cations.ACS omega · 2021Article
- Article
- Triple-Columned and Multiple-Layered 3D Polymers: Design, Synthesis, Aggregation-Induced Emission (AIE), and Computational Study.Research (Washington, D.C.) · 2021Article
- Water-Gated Proton Transfer Dynamics in Respiratory Complex I.Journal of the American Chemical Society · 2020Article
Corrections and comments
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Authors and funding
2 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Complex I functions as an initial electron acceptor in aerobic respiratory chains that reduces quinone and pumps protons across a biological membrane. This remarkable charge transfer process extends ca. 300 Å and it is initiated by a poorly understood proton-coupled electron transfer (PCET) reaction between nicotinamide adenine dinucleotide (NADH) and a protein-bound flavin (FMN) cofactor. We combine here large-scale density functional theory calculations and quantum/classical models with atomistic molecular dynamics simulations to probe the energetics and dynamics of the NADH-driven PCET reaction in complex I. We find that the reaction takes place by concerted hydrogen atom (H
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