[gmx-users] mesoscopic Bose condensation (mBC) in water and biosystems

[Alex Kaivarainen]

    Hi All,
    I am not an expert in mol. dynamics, but I am interested to get the qualified response to some important related questions, if possible.

    It follows from my Hierarchic theory of condensed matter and its computerized application to water and ice, that such new phenomena as mesoscopic molecular Bose condensation (mBC) is possible even at the ambient temperatures [Kaivarainen, 2001: http://arxiv.org/PS_cache/physics/pdf/0102/0102086.pdf (see sections 5.2-5.4)].
    Unlike to macroscopic BC, like at superfluidity and superconductivity, the mBC is presented by clusters of coherent molecules, localized in the volume of 3D standing de Broglie waves, related to librations in liquid phase and librations and translations in solid phase. For example, the number of molecules in mBC of liquid water decreases from 280 to 3 when the temperature increases from the melting point (273K) up to boiling point (373K).

    Few years ago I supposed that the mBC of CH, OH groups of aminoacids in proteins and in lipids of membranes may play certain role in the domains and knots folding in proteins and membranes. The verification of this idea needs calculation of most probable momentum or kinetic energy of atoms and mentioned atomic groups. The knowledge of most probable momentums of atoms, related to their librations and translations makes it possible to calculate the corresponding most probable de Broglie wave length, as a ratio of Plank constant to these momentums. It is anticipated that the correlation between these wave length and dimensions of domains and knots should exist.
    So my question follows: is it possible theoretically (i.e. using mol. dynamics or other approaches) or experimentally (X-ray or neutron scattering) evaluate the above most probable momentums or kinetic energies of atoms and atomic groups in the interior of protein domains ?
    It is clear in advance that in any condensed matter, including proteins, the thermal oscillations are anharmonic and the degree of anharmonicity should be taken into account.
    If somebody will find the solution of this problem real and interesting, as a new quantum factor of biopolymers folding (still missing in theory of biosystems self-organization), please contact me.
    Thanks.
    Alex Kaivarainen
    Dept of Physics, University of Turku, Finland.
    H2o at karelia.ru
    web.petrsu.ru/~alexk
    .


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