Question 9: Quantum Self-Assembly and Photoinduced Electron Tunneling in Photosynthetic Systems of Artificial Minimal Living Cells

Tamulis, Arvydas; Tamulis, V.

doi:10.1007/s11084-007-9078-1

Cited by 9 publications

(17 citation statements)

References 5 publications

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“…This behavior again matches what is experimentally seen for such interactions [2,3], namely a shifting of the lowest energy Vis spectrum excited states of complex quantum systems, due to covalent and Van der Waals bonding interactions with the additional molecules. This is also consistent with our general finding that the inclusion of more molecules in the photosynthetic systems of artificial minimal cells resulted in longer wavelengths for the absorption spectrum [5][6][7][8]. The shift of the absorption spectrum to the red for the artificial protocell photosynthetic centers might be considered as the measure of the complexity of these systems.…”

Section: Quantum Investigations Of [Ru(bpy) 2 (4-4'-me 2 -22'-bpy)]supporting

confidence: 91%

“…Electron charge tunnelling energy equal to 2.753 eV (450.3 nm) associated with the eighth excited state of LANL synthesized minimal artificial living cells investigated in papers [5,6] correspond to an experimental value equal to 450.0 nm of the most intense absorption line [2]. This agreement implies that the quantum mechanically self-assembled structures of minimal living cells very closely approximate the realistic ones.…”

Section: Introductionsupporting

confidence: 67%

“…This implies that the covalent bonding of the 8-oxo-guanine to the PNA fragment to one of the bipyridines breaks the D 3 symmetry and splits the degenerate lines at 455.2 nm, 450.7 nm, 441.6 nm, and 429.7 nm (see Table 2). Despite the greater complexity of the larger covalently bonded 8-oxo-guanine-PNA-Ru(bpy) 2+ 3 supermolecule compared with that of the Ru(bpy) 2+ 3 molecule alone, the peaks of the spectrum of the more complex molecule did not show a clear shift to the red as had been previously seen for the softly "bonded" supramolecule based on the 1,4-bis(N,Ndimethylamino) naphthalene sensitizer molecule to which the other molecules are loosely attached by hydrogen bonds and Van der Waals forces [6][7][8]13]. …”

Section: Quantum Modellingsupporting

confidence: 56%

“…Due to its small size, all its processes, including its self-assembly from component molecules, its absorption of light, and its metabolism, should in principle be investigated using quantum (wave) theory [4][5][6][7][8]. The entire minimal cell might be considered to be a molecular electronics device that self-assembles according to quantum-based electron interaction potentials and that absorbs light and carries on its metabolism according to quantum electron excitation and tunnelling equations.…”

Section: Introductionmentioning

confidence: 99%

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Quantum processes in 8-Oxo-Guanine-Ru(bipyridine)32+ photosynthetic systems of artificial minimal cells

Tamulis¹,

Grigalavicius²,

Krisciukaitis³

et al. 2011

Open Physics

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Abstract:Density functional theory methods were used to investigate various self-assembled photoactive bioorganic systems of interest for artificial minimal cells. The cell systems studied are based on nucleotides or their compounds and consisted of up to 123 atoms (not including the associated water or methanol solvent shells) 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 solvent (water or methanol). The precursor fatty acid molecules of the system also play a critical role in the quantum mechanical interaction based self-assembly of the photosynthetic center and the functioning of the photosynthetic processes of the artificial minimal cells. The distances between the separated sensitizer, fatty acid precursor, and methanol 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 tunnelling occurs from the sensitizer (either Ru(bpy) 2+ 3 or [Ru(bpy) 2 (4-Bu-4'-Me-2,2'-bpy)] 2+ + derivatives) to the precursor fatty acid molecules (notation used: Me = methyl; Bu = butyl; bpy = bipyridine). The shift of the absorption spectrum to the red for the artificial protocell photosynthetic centers might be considered as the measure of the complexity of these systems. 31.10.+z, 31.15.A-, 31.15.ae, 33.15.-e, 33.20.- PACS (2008):

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Section: Quantum Investigations Of [Ru(bpy) 2 (4-4'-me 2 -22'-bpy)]supporting

confidence: 91%

Section: Introductionsupporting

confidence: 67%

Section: Quantum Modellingsupporting

confidence: 56%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Quantum processes in 8-Oxo-Guanine-Ru(bipyridine)32+ photosynthetic systems of artificial minimal cells

Tamulis¹,

Grigalavicius²,

Krisciukaitis³

et al. 2011

Open Physics

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“…Due to the rapid development of computers and quantum mechanical methods and program packages (such as quantum molecular dynamics), possibilities also exist to simulate the main processes of self-assembly and photosynthesis of minimal artificial cells consisting of up to 2000 atoms. [13][14][15][16][17][18][19][20][21][22] Newly synthesized programmable artificial cells or nanobiorobots are planned to be used for nanomedicine, nanoecology, and for future emerging new information technologies. Despite the really useful benefits of these artificial living technologies, one can foresee also some possible dangerous events in case such newly created artificial living cells might self-mutate and escape into the biosphere.…”

Section: Introductionmentioning

confidence: 99%

Molecular Spintronics Control of Photosynthesis in Artificial Cell

Tamulis¹,

Grigalavicius²

2013

Jnl of Comp & Theo Nano

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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.

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Quantum entanglement in photoactive prebiotic systems

Tamulis

Grigalavicius

2014

Syst Synth Biol

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This paper contains the review of quantum entanglement investigations in living systems, and in the quantum mechanically modelled photoactive prebiotic kernel systems. We define our modelled self-assembled supramolecular photoactive centres, composed of one or more sensitizer molecules, precursors of fatty acids and a number of water molecules, as a photoactive prebiotic kernel systems. We propose that life first emerged in the form of such minimal photoactive prebiotic kernel systems and later in the process of evolution these photoactive prebiotic kernel systems would have produced fatty acids and covered themselves with fatty acid envelopes to become the minimal cells of the Fatty Acid World. Specifically, we model self-assembling of photoactive prebiotic systems with observed quantum entanglement phenomena. We address the idea that quantum entanglement was important in the first stages of origins of life and evolution of the biospheres because simultaneously excite two prebiotic kernels in the system by appearance of two additional quantum entangled excited states, leading to faster growth and self-replication of minimal living cells. The quantum mechanically modelled possibility of synthesizing artificial self-reproducing quantum entangled prebiotic kernel systems and minimal cells also impacts the possibility of the most probable path of emergence of protocells on the Earth or elsewhere. We also examine the quantum entangled logic gates discovered in the modelled systems composed of two prebiotic kernels. Such logic gates may have application in the destruction of cancer cells or becoming building blocks of new forms of artificial cells including magnetically active ones.Keywords Photosynthetic prebiotic kernel Á Quantum self-assembly of prebiotic kernel Á Quantum entangled molecular orbitals Á Photosynthesis in prebiotic kernels Á Quantum entangled photosynthesis Á Photosynthetic minimal cell Á Electron density transfer Á Electron spin density transfer Á Quantum entanglement in systems composed of two prebiotic kernels Á Molecular quantum entangled logical gates

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Question 9: Quantum Self-Assembly and Photoinduced Electron Tunneling in Photosynthetic Systems of Artificial Minimal Living Cells

Cited by 9 publications

References 5 publications

Quantum processes in 8-Oxo-Guanine-Ru(bipyridine)32+ photosynthetic systems of artificial minimal cells

Quantum processes in 8-Oxo-Guanine-Ru(bipyridine)32+ photosynthetic systems of artificial minimal cells

Molecular Spintronics Control of Photosynthesis in Artificial Cell

Quantum entanglement in photoactive prebiotic systems

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