Quantum-Tuned Niche Construction in Apis mellifera Rhodopsin Using Multiscale POPC Bilayer QM/MM and Non-Markovian Dynamics to Reveal High-Fidelity Phototransduction Under Thermal Stress in Tropical Agro-Ecosystems
Abstract
Abstract The reconciliation of quantum mechanics with macroscopic biophysics presents an outstanding interdisciplinary challenge, particularly in elucidating the mechanistic basis for sensory transduction under thermodynamic constraints. The prevailing electrostatic paradigm in biological photoreception fails to account for the coherent quantum phenomena underlying ultrafast primary events. Here we report an integrated theoretical investigation employing enhanced reference potential long-timescale molecular dynamics, explicit incorporation of a POPC lipid bilayer, and Time-Dependent Density Functional Theory within the Tamm-Dancoff Approximation (TDDFT/TDA) to probe the quantum optical properties of green-sensitive rhodopsin from the honeybee Apis mellifera . Across one thousand independent trajectory snapshots, our calculations produce a narrow absorption peak centered at λ max = 500.2 1.2 nm E = 2.48 eV, with no significant correlation between backbone RMSD and excitation energy r = 0.12, p = 0.45. Analysis of the time-convolutionless Nakajima-Zwanzig quantum master equation reveals non-Markovian memory backflow effects sustaining electronic coherence N = 0.482 well beyond the conventional relaxation limit up to 450 18 fs. High fidelity of the density matrix state purity = 0.92 and low linear entropy S L = 0.09 demonstrate the protein-lipid system's ability to act as a quantum error-correcting reservoir dissipating environmental thermal noise by 88%, resulting in 99.2%…
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