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Updated : 01/07/2002

AB INITIO QUANTUM CHEMICAL DESIGN OF SUPERMOLECULE LOGICAL DEVICES ANDNANO-MEDICINE ROBOTS

"The mechanism of the isomerization of the Disperse Orange 3 molecule per linear transition state is suggested and investigated. The results of light induced internal molecular motions in stilbene and DO3 molecules have been used for the design of light driven logically controlled molecular machines composed from photoactive organic molecules such as carbazole, 1,4-phenylenediamine, TeMePhDA, 4,5-dinitro-9-(dicyanomethylidene)-fluorene, TCNB, TCNQ, Dithieno[3,2-b:2',3'-d]thiophene (see Figure 1) and Ferocene (C10H10Fe) molecules joined with –CH=CH- or -N=N- bridges. Designed molecular logically controlled machine possessing absorption transitions in visible and near-UV regions that might permit two variable light induced motions. Molecular logically controlled machines should be used for oriental diffusion and transportation various medicine and remedy to the tissues of living organisms. It was designed nano-robot composed from light-driven DO3 molecule biliverdines that have two beneficial physiological roles: anti-oxidant activity and anti-HIV activity.[...]"
to read the entire article, download the attached file (English)
Author:
Arvydas Tamulis
Download the entire article (English): Ab initio Quantum Chemical.doc  

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