Revealing the role of excited state proton transfer (ESPT) in excited state hydrogen transfer (ESHT): systematic study in phenol-(NH) clusters.

Excited State Hydrogen Transfer (ESHT), proposed at the end of the 20th century by the corresponding authors, has been observed in many neutral or protonated molecules and become a new paradigm to understand excited state dynamics/photochemistry of aromatic molecules. For example, a significant number of photoinduced proton-transfer reactions from X-H bonds have been re-defined as ESHT, including those of phenol, indole, tryptophan, aromatic amino acid cations and so on. Photo-protection mechanisms of biomolecules, such as isolated nucleic acids of DNA, are also discussed in terms of ESHT.

Characteristic length of the knotting probability revisited.

We present a self-avoiding polygon (SAP) model for circular DNA in which the radius of impermeable cylindrical segments corresponds to the screening length of double-stranded DNA surrounded by counter ions. For the model we evaluate the probability for a generated SAP with N segments having a given knot K through simulation. We call it the knotting probability of a knot K with N segments for the SAP model.

Gyration radius of a circular polymer under a topological constraint with excluded volume.

It is nontrivial whether the average size of a ring polymer should become smaller or larger under a topological constraint. Making use of some knot invariants, we numerically evaluate the mean-square radius of gyration for ring polymers having a fixed knot type, where the ring polymers are given by self-avoiding polygons consisting of freely jointed hard cylinders. We obtain plots of the gyration radius versus the number of polygonal nodes for the trivial, trefoil, and figure-eight knots.