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Quantum Theory of DNA— An Approach to Electron Transfer in DNA H. Sugawara, 2005 Work being done with H. Ikemura 1. Introduction motivation ⇔ Ikemura Conjecture Ikemura Conjecture “Electron transfer in DNA is playing an important role in the information exchanges among the various sections of DNA.” Example 1 2 2. Field Theory Technique Standard technique in particle theory and in condensed matter theory but maybe not in quantum chemistry. Consider electrons interacting with the centers of potential (ions) located at Ri: electromagnetic interactions (gauge principle) 3 ◎ electron-phonon interactions 4 3. Hartree approximations Include in V(x) → Veff 5 6 Further approximations only nearest neighbors Then we have Special case of H → Su-Schrieffer-Heegger Hamiltonian → b, g constant , j longitudinal 7 can also be defined in a similar way Then we replace 8 Here was utilized 9 RNA transcription DNA replication 10 ◎ Consider classical and longitudinal oscillation localized (tightly bound) wave function ◎ general case with classical oscillation 11 WKB solution 12 ◎ The localization depends on the sign of and of ◎ Back to the descrete description applications (1) Luminescence quenching (2) Electric current (3) Absorption of light 13 Luminescence quenching Ru-ligand mixed system luminescence absorption Rh provides electrons ⇒ quenching quenching occurs by a hole propagation inside DNA Note 1. Prokariote ・・・ closed string 2. Eukariote ・・・ open string end: telomere with certain protein 14 15 Probability of quenching DNA electrons transfer to (from) metals 16 Density at Lh 17 Electric current in DNA 18 19 20 Coupling to backbone electrons add This may be important in explaining the current? 21 There must be an overlap 22 (1) Ef is within the band (2) Ef is outside of the band semiconductor-like 23 Optical absorption (Sarukura’s proposal) excited band ground band em interaction 24 absorption rate 25 Conclusion (1) Three dimensional string action for DNA is derived (2) Approximate p-electron wave functions are derived (3) Applications to luminescence quenching, electric current through DNA and optical absorption are formulated remaining problems (1) Comparison with experiments (2) Bound states with proteins (3) Quantized phonon (4) Improvement of approximations 26