Bioinorganic Membrane Using Kurumi, A New Liquid Crystal
Ricardo Gobato, Alireza Heidari, Abhijit Mitra
Abstract
The work characterizes develop a single layer bioinorganic membrane using nano-molecule Kurumi C13H20BeLi2SeSi / C13H19BeLi2SeSi, is well characterize computationally. As its scientific name 3-lithio-3-(6-{3-selena-8-beryllatricyclo [3.2.1.02,⁴] oct-6-en-2-yl}hexyl)-1-sila-2-lithacyclopropane. The work was based on a molecular dynamics (MD) of 1ns, using the CHARMM22 force field, with step 0.001 ps. Calculations indicate that the final structure, arrangement have the tendency to form a single layer micellar structure, when molecular dynamics is performed with a single layer. However, when molecular dynamics were carried out in several layers, indicates the behavior of a liotropic nematic liquid crystal order. Kurumi features the structure polar-apolar-polar predominant. Limitations our study has so far been limited to computational simulation via quantum mechanics e molecular mechanics (QM/MM), an applied theory. Our results and calculations are compatible and with the theory of QM/MM, but their physical experimental verification depend on advanced techniques for their synthesis, obtaining laboratory for experimental biochemical. Going beyond imagination, the most innovative and challenging proposal of the work advances the construction of a structure compatible with the formation of a “new DNA”, based now on the kurumi molecule.