Hole traps in DNA calculated with exponential electron-lattice coupling

Article Abstract:

Pairs or triples of guanine, G, on DNA are readily oxidized, forming hole traps. The free energy liberated is measured when a hole goes from the radical cation G(super +) to GG or GGG and the free energies for the sequences are calculated using a simple tight-binding model in which the transfer integral is assumed to vary linearly with the spacing between adjacent bases.

Chemistry, Physical and theoretical, Physical chemistry

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Electron channels in biomolecular nanowires

Article Abstract:

First-principle study of the electronic and conduction properties of infinite G4 wires was reported, which showed that the pi-pi coupling among stacked planar tetrads is insufficient to induce the formation of dispersive bands in the wires. These results concluded that G4 wires were viable as DNA based conductors for nanoscale molecular electronics.

All Other Basic Inorganic Chemical Manufacturing, Industrial inorganic chemicals, not elsewhere classified, Potassium & Sodium Compounds, Potassium & Compounds, Potassium compounds

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Negative ion mass spectra, electron affinities, gas phase acidities, bond dissociation energies, and negative ion states of cytosine and thymine

Article Abstract:

The chemical ionization negative ion mass spectroscopy data for adenine, guanine, cytosine, thymine and uracil support the gas-phase acidities are calculated. The adiabatic electron affinities of uracil and thymine are greater than 0.7(plus mn)0.1eV, whereas that of cystosine is about 0.6(plus mn)0.1eV.

Adenine, Ion cyclotron resonance spectrometry

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