Quantum Mechanical Control of Artificial Minimal Living Cells

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We used quantum mechanical nonlocal gradient electron correlation interactions density functional theory methods to investigate various self-assembled photoactive bioorganic systems of artificial minimal living cells. The cell systems studied are based on sensitizer squarine, 8-oxo-guanine, cytosine, fatty acid, water molecules and consisted of around 300 atoms and are up to about 4 nm in diameter. The quantum mechanical based electron correlation interactions that originate the weak hydrogen and Van der Waals chemical bonds. The impact of these bonds increase in strength with the addition of a polar solvent molecules (water or methanol) and thus play a critical role in the self assembly and functioning of a system consisting of a photosynthetic center, and fatty acid and precursor of fatty acid molecules (pFA). The distances between the separated sensitizer, precursor of fatty acid, and water molecules are comparable to Van der Waals and hydrogen bonding radii. As a result these nonlinear quantum interactions compress the overall system resulting in a smaller gap between the HOMO and LUMO electron energy levels and photoexcited electron tunneling occurs from the sensitizer to pFA. The most intense excited states of minimal cells are partially composed of LUMO + n located on precursors of fatty acid when the bis(4-diphenylamine-2-phenyl)-squarine molecule is covalently attached to 8-oxo-guanine and that promote electron hoping (tunneling) on the pFA molecules. The photoexcited electron is hoping (tunneling) on the head (the waste piece) of pFA molecules and further split these molecules due to intense rotations and vibrations of the weak chemical bond joining the waste piece with fatty acid piece. The most intense absorption lines of investigated minimal cels containing the squarine-guanine supermolecule based derivatives shifts to red due to the more complexity. Addition the guanine molecule to squarine molecule leads to the absorption spectrum which cover the more wide region of visible spectrum. The shift of the intense absorption line to the red allow for the minimal artificial living cell to absorb the light in the longer wavelength region (early in the morning and in the evening). That most probably allowed better compete for such a kind of first protocells in getting the food molecules. We can state that quantum mechanical processes originated the emergence of genetic material (8-oxo-guanine) in the protocells at the early stages of emergence of life in the Earth.

Section: Procedure/methodologymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Quantum Mechanical Origin of Genetic Material in Minimal Cells

Tamulis¹,

Grigalavicius²

2010

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“…Examples of this research include the use of molecular electronics logic gates to regulate photosynthetic-like energy transduction systems, as well as to control growth and division of artificial living cells. [23][24][25][26][27] Longer term goals might be the use of quantum mechanical simulations to predict the possibility of biochemical experimental synthesis of molecular electronics and spintronics logic elements for information systems based on artificial living organisms or for the control of nanobiorobots applied in areas such as nanomedicine and cleaning of nuclear, chemical, and microbial pollutions.…”

Section: Introductionmentioning

confidence: 99%

Molecular Spintronics Control of Photosynthesis in Artificial Cell

Tamulis¹,

Grigalavicius²

2013

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Quantum density functional theory studied photosynthetic system consists of photoelectron donor neutral radical molecule (5-(4-(1-hydroxyethyl)phenyl)pentanoic acid (1), a precursor of fatty acid (pFA, 2-oxo-2-phenylethyl ester) molecule and water molecules. The system include an explicitly simulated aqueous environment consisting of some 155 atoms and is up to about 2.3 nm in diameter. The quantum mechanical based electron correlation interactions are the source of the weak hydrogen and Van der Waals chemical bonds that are critical to the behavior of this system. Polar water molecules increase the strength of these bonds and thus play a central role in the self assembly and functioning of the systems studied. The distances between the separated neutral radical, precursor of the fatty acid, and water molecules are comparable to Van der Waals and hydrogen bonding radii. As a result, these nonlinear quantum interactions compress the overall molecular system resulting in a smaller gap between the HOMO and LUMO electron energy levels that in turn allows enhanced tunneling of photoexcited electrons from the sensitizer molecule (1) to the pFA. Electron spin density transfer rates in the intense absorption states were calculated and visualized in neutral radicals supramolecule (1). The metabolism involves magnetically controlled photoexcitation of an electron in these neutral radical supramolecule which possess stable or oriented spin. The main quantum mechanical research result of this paper is that the non-conventional system which were proposed include the use of molecular spintronics logic gate to control growth and division of artificial living cell. The excited electron is used to cleave a waste organic molecule resulting in the formation of the desired product.

“…Examples of this research include the use of molecular electronics logic gates to regulate photosynthetic-like energy transduction systems, as well as to control growth and division of artificial living cells. [12][13][14][15][16][17][18][19] Longer term goals might be the use of quantum mechanical simulations to predict the possibility of biochemical experimental synthesis of molecular electronics and spintronics logical elements information based artificial living organisms or nanobiorobots for nanomedicine and cleaning of nuclear, chemical and microbial pollutions.…”

Section: Introductionmentioning

confidence: 99%

Quantum Entangled Photosynthesis and OR Logic Gates Controlling Minimal Artificial Cell

Tamulis¹,

Grigalavicius²,

Medzevicius³

et al. 2012

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Density functional theory methods were used to investigate self-assembled photoactive bioorganic system of interest for logically controlled artificial minimal cell. The cell system studied is based on cytosine and noncanonical oxo-guanine nucleobases and consisted of up to 366 atoms and are up to 2.5 nm in diameter. The electron correlation interactions responsible for the weak hydrogen and Van der Waals chemical bonds increase due to the addition of a polar water solvent molecules. The distances between the separated sensitizer, nucleobase, fatty acid precursor, and water molecules are comparable to Van der Waals and hydrogen bonding radii. As a result the associated electron correlation interactions compress the overall system resulting in an even smaller gap between the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) electron energy levels and photoexcited electron tunneling occurs from the sensitizer (bis(4-diphenylamine-2-phenyl)-squarine and 1,4-bis(N,N-dimethylamino)naphthalene) to the precursor fatty acid, or to the cytosine molecules. Analysis of time dependent density functional theory method calculated absorption spectrum and images of electron transfer trajectories in the different excited states allow to separate quantum entangled photosynthetic transitions or destruction of 8-oxo-guanine::cytosine supramolecule. Two variable quantum OR logic gate consists of three subsystems: two photoactive sensitizer molecules and 8-oxo-guanine::cytosine supramolecule (or pFA) molecule, i.e., containing two different variable inputs and two different outputs.