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Abstract
The Gated Quantum Resonator (GQR) framework interprets catalysis as a circuit– Hamiltonian network in which vibronic tunnelling channels are dynamically modulated by structural and electromagnetic gates. Here, attosecond–femtosecond time–domain simula- tions of the photosystem II oxygen–evolving complex (OEC) reveal a reproducible isotopic bifurcation at geometry 8F4I. Deuterium exhibits a pronounced suppression of its domi- nant gate frequency (∼0.45 PHz) while protium and tritium remain coherent near 2.3 PHz, marking a non-monotonic inversion of kinetic–isotope ordering. This behaviour consti- tutes a quantum–gate bifurcation—a transition between collective and localised tunnelling regimes—driven by the interplay of mass, field, and hydration topology. The result links enzymatic water–splitting dynamics to the same resonance–switching principles that underpin quantum–critical materials and ultrafast electronic devices. Beyond biological insight, it establishes a design framework for field–tuned, isotope–adaptive quantum catalysis and for artificial resonators that exploit controllable coherence–decoherence thresholds.
Supplementary materials
Title
GQR–IX: Quantum–Gate Bifurcation in Photosystem II Deuterium Suppression and Field–Tuned Resonance Switching at 8F4I Supplementary Information
Description
SI Contents overview:
S1–S6: Absolute and kinetic-isotope–normalized TDSE traces (representative CIFs across the PS II S-state cycle, 6W1V–8F4F).
S7–S9: 8F4I anomaly and recovery sequence (absolute, KIE-normalised, and kiefix renderings) showing bifurcation and re-coherence behaviour.
S10–S13: Frequency-domain summaries derived from 250 fs TDSE windows for all isotopologues (H₂O, D₂O, T₂O, H₂S, D₂S, T₂S), including per-CIF plots and statistical aggregations (mean ± SD and robust median ± MAD; THz and PHz variants).
S14: Effective-mass schematic
Highlights:
Demonstrates a reproducible D₂O suppression at 8F4I with recovery at 8F4J/K.
Shows strong convergence between mean–SD and median–MAD analyses, confirming numerical stability.
Includes early chalcogen (H₂S / D₂S / T₂S) trajectories showing analogous frequency compression.
Provides all source CSVs (all-GQR9-raw_timeseries.csv) and plotting outputs used for Fig. 1 of the main text.
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Supplementary weblinks
Title
The Gated Quantum Resonator: A Bayesian Circuit–Hamiltonian Framework for Catalysis, Enzymology, Materials Science and UPE.
Description
GQR links
GQR1. https://chemrxiv.org/engage/chemrxiv/article-details/68f180b4dfd0d042d1003590
GQR2. https://chemrxiv.org/engage/chemrxiv/article-details/68e698f5bc2ac3a0e0f056d6
GQR3. https://chemrxiv.org/engage/chemrxiv/article-details/68e74f59dfd0d042d191fa0b
GQR4. https://chemrxiv.org/engage/chemrxiv/article-details/68e782a2dfd0d042d198ca99
GQR5. https://chemrxiv.org/engage/chemrxiv/article-details/68e788c3bc2ac3a0e00b5830
GQR6. https://chemrxiv.org/engage/chemrxiv/article-details/68e7a2d55dd091524f8ee2ae
GQR7. https://chemrxiv.org/engage/chemrxiv/article-details/68e82285bc2ac3a0e03220a9
GQR8. https://chemrxiv.org/engage/chemrxiv/article-details/68ed6cb4dfd0d042d15aefc5
GQR–X: The Quantum Loom of Life on Earth Uniting Isotopic, Chalcogenic, and Protonic Resonance at the Quantum–Critical Boundary
https://doi.org/10.26434/chemrxiv-2025-qcnlw
GQR XI: Gated Quantum Resonator Framework for Self-Organizing Catalytic Reaction Networks
https://doi.org/10.26434/chemrxiv-2025-dccdw-v2
provenance:
https://app.gitbook.com/o/C1d3E58o2lZI2jjJnFpz/s/hiUJdmhTVeerYHeV6tKp/
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GQRIX raw TDSE FFT CIF PDB
Description
This is the raw data , processed only to remove the non-suitable geometric data (ie incorrect Mn ions etc)
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