Ultrafast electron transfer in photosynthesis: Reduced pheophytin and quinone interaction mediated by conical intersections

Article Abstract:

The mechanism of electron transfer (ET) from reduced pheophytin ([Pheo.sub.-]) to the primary stable photosynthetic acceptor, a quinione molecule is examined by using ab inito computations and realistic molecular models. The results show that the ET process involving the (Pheo-Q) and (PheoQ-) oxidation states can be essentially seen as an ultrafast radiationless transition between the two hypersurfaces taking places through conical intersections (CIs).

Photosynthesis research, Electron transport, Quinone, Quinones, Atomic properties

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Determination of the lowest-energy oxidation site in nucleotides: 2'-deoxythymidine 5'-monophosphate anion

Article Abstract:

A high-level ab initio study on the ionization properties of the single charged 2'-deoxythymidine 5'-monophosphate anion is reported. The computed vertical electron detachment energies (VDEs) are consistent with the gas-phase photoelectron spectrum of the molecule.

Biological Product (except Diagnostic) Manufacturing, Nucleic Acid Derivatives, Phosphates, Oxidation-reduction reaction, Oxidation-reduction reactions, Nucleotides, Ionization, Chemical properties

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Charge transfer transitions in neutral and ionic polypeptides: A theoretical study

Article Abstract:

The vertical electronic excitation spectra of neutral polypeptides and their radical ions are presented. Model systems including tri-, tetra-, and octamers in an alpha-helix and beta-sheet alike conformation are studied by various computational methods.

Polypeptides, Charge transfer

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