The Creation of C13H20Beli2SeSi. The Proposal of a Bio-
Inorganic Molecule, Using Ab Initio Methods for The
Genesis of a Nano Membrane
Volume 3 - Issue 4
Ricardo Gobato1*, Alireza Heidari2 and Abhijit Mitra3
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- 1Laboratory of Biophysics and Molecular Modeling Genesis, State Secretariat for Education of Paraná, Brazil
- 2Faculty of Chemistry, California South University, USA
- 3Department of Marine Science, University of Calcutta, India
*Corresponding author:
Ricardo Gobato, Laboratory of Biophysics and Molecular Modeling Genesis, State Secretariat for Education
of Paraná, Bela Vista do Paraíso, Paraná, Brazil
Received: July 23, 2018; Published: August 07, 2018
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Abstract
The work is an evolution of research already begin and in development. Therefore, we can observe a part that has already been
commented that presents the whole development of the research from its beginning. Preliminary bibliographic studies did not reveal
any works with characteristics studied here. With this arrangement of atoms and employees with such goals. Going beyond with
imagination using quantum chemistry in calculations to obtain probable one new bio-inorganic molecule, to the Genesis of a bioinorganic
membrane with a combination of the elements Be, Li, Se, Si, C and H. After calculation a bio-inorganic seed molecule from
the previous combination, it led to the search for a molecule that could carry the structure of a membrane. From simple molecular
dynamics, through classical calculations, the structure of the molecule was stabilized. An advanced study of quantum chemistry
using ab initio, HF (Hartree-Fock) method in various basis is applied and the expectation of the stabilization of the Genesis of this
bio-inorganic was promising. The calculations made so far admit a seed molecule at this stage of the quantum calculations of the
arrangement of the elements we have chosen, obtaining a highly reactive molecule with the shape polar-apolar-polar. Calculations
obtained in the ab initio RHF method, on the set of bases used, indicate that the simulated molecule, C13H20Beli2SeSi, is acceptable
by quantum chemistry. Its structure has polarity at its ends, having the characteristic polar-apolar-polar. Even using a simple base
set the polar-apolar-polar characteristic is predominant. The set of bases used that have the best compatible, more precise results
are CC-pVTZ and 6-311G (3df, 3pd). In the CC-pVTZ base set, the charge density in relation to 6-311G (3df, 3pd) is 50% lower. The
structure of the bio-inorganic seed molecule for a bio-membrane genesis that challenge the current concepts of a protective mantle
structure of a cell such as bio-membrane to date is promising, challenging. Leaving to the biochemists their experimental synthesis.
Keywords: Matrix Impurity; Disregards Impurity; Specified Impurity Associated Undetectable Impurity; UPLC; Ich Guidelines;
Process Development
Abstract|
Introduction|
Chemical Properties of the Compounds of
Beryllium, Lithium, Selenium and Silicon|
Methods|
Discussions|
Conclusion|
References|