We are creating molecular electronics logic gates regulating the photosynthesis, growing and dividing of artificial living cells and nanobiorobots [14-21]. It was performed the study of G-C self-assembling energies in various H2O molecules clusters correlating these energies with the G-C dehybridization energies due to charge transfer in the H2O molecules clusters surrounded the photosynthetic center of artificial minimal living cell controlled by the last chain of genome, i.e. hydrogen bonded G-C supramolecule.
Implementation of quantum information bits based on spatially localized electron spins in stable molecular radicals was investigated by unrestricted time dependent functional theory methods [15, 18-20]. The g-tensor shift calculations of neutral radical molecules was performed for beta-diketone and syringate. beta-diketone neutral radical moiety with an attached hydrocarbon chain. Beta-diketone is suitable for construction of quantum computing processing devices because the qubit is relatively stable due to the small magnitude of g-tensor shift component that is aligned with the external magnetic field, i.e. the direction of hydrocarbon chain which provide the self-assembled monolayer an attachment of the molecule to a substrate [18].
TD DFT simulations of the artificial minimal living cells with implemented molecular electronics and spintronics gates done using self-assembled neutral radical molecules beta-diketone and syringate show that it is possible to construct more general ContrlNOT and NAND logic functions suitable for the production of the nanobiorobots [19]. 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 two different logically controlled functions of molecular device consisting of guanine-cytosine-PNA-1,4-dihydroquinoxaline-1,4-bis(N,N-dimethylamino)naphthalene supermolecule and Van der Waals bonded precursor of fatty acid molecule. These two different logically controlled functions of artificial minimal living cells are: 1) initiation of metabolic fatty acid production in five excited states or 2) initiation of gene dehybridization in one excited state. This designed supermolecule works in the artificial minimal cell as molecular electronics classic OR logic function (Boolean logics OR gate) [21].
The summarizing picture of the OR molecular electronics logical gate for selected stimulation of the photosynthesis or the self-reproduction of artificial minimal living cells. This figure have been done in collaboration with Steen Rasmussen.