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Terahertz vibrational properties of water nanoclusters relevant to biology

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Abstract

Water nanoclusters are shown from first-principles calculations to possess unique terahertz-frequency vibrational modes in the 1–6 THz range, corresponding to O–O–O “bending,” “squashing,” and “twisting” “surface” distortions of the clusters. The cluster molecular-orbital LUMOs are huge Rydberg-like “S,” “P,” “D,” and “F” orbitals that accept an extra electron via optical excitation, ionization, or electron donation from interacting biomolecules. Dynamic Jahn–Teller coupling of these “hydrated-electron” orbitals to the THz vibrations promotes such water clusters as vibronically active “structured water” essential to biomolecular function such as protein folding. In biological microtubules, confined water-cluster THz vibrations may induce their “quantum coherence” communicated by Jahn–Teller phonons via coupling of the THz electromagnetic field to the water clusters’ large electric dipole moments.

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  1. Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, MA, 02139, USA

    Keith Johnson

  2. HydroElectron Ventures Inc., 1303 Greene Avenue Suite 102, Westmount, QC, H3Z 2A7, Canada

    Keith Johnson

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Johnson, K. Terahertz vibrational properties of water nanoclusters relevant to biology. J Biol Phys 38, 85–95 (2012). https://doi.org/10.1007/s10867-011-9238-4

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  • DOI: https://doi.org/10.1007/s10867-011-9238-4

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