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The quantum mechanical self-assembly of two separate photoactive supramolecular systems with different open electronic
shell photosynthetic centers was investigated by means of density functional theory methods. Quantum entangled energy
transitions from one subsystem to the other and the assembly of logically controlled artificial minimal protocells were modeled.
The systems studied were based on two different photoactive neutral radical sensitizer molecules: (5(4( 1hydroxyethyl) phenyl)
pentanoic acid (1) and 5( 2,8dimethyl1,3dioxo2,3dihydro1Hphenalen5yl) pentanoic acid (2), the precursor of a fatty acid (pFA)
molecule attached via Van der Waals forces, all surrounded by water molecules. The electron correlation interactions responsible
for the weak hydrogen and Van der Waals chemical bonds increased due to the addition of polar water solvent molecules. The
distances between the separated sensitizer, nucleotide, pFA, and water molecules are comparable to Van der Waals and hydrogen
bonding radii. As a result, the overall system becomes compressed, resulting in photo-excited electron spin density tunneling from
the sensitizers (1) and (2)to the pFA molecules. Absorption spectra as well as electron spin density transfer trajectories associated
with the different excited states were calculated using time dependent density functional theory methods. The results allow
separation of the quantum entangled photosynthetic transitions within the same minimal protocell and with the neighboring
minimal protocell. The transferred electron is used to cleave a ?waste? organic molecule resulting in the formation of the desired
product.
A two variable, molecular spintronics quantum entangled AND logic gate was proposed, consisting of two input photoactive
sensitizer molecules and one output (pFA molecule). It is proposed that a similar process might be applied for the destruction of
tumor cancer cells or to yield building blocks in artificial cells.
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