Stone-Wales transformation paths in fullerene C60

Stonewales Transformation Paths in Fullerene C 60

The mechanisms of formation of a metastable defect isomer of fullerene C 60 due to the Stone-Wales transformation are theoretically studied. It is demonstrated that the paths of the " dynamic " Stone-Wales transformation at a high (sufficient for overcoming potential barriers) temperature can differ from the two " adiabatic " transformation paths discussed in the literature. This behavior is du...

Insertion of Be Atoms in C60 Fullerene Cages: Be@ C60.

Hyperpolarizability of the C60 fullerene cluster

Motivated by a discrepancy of five orders of magnitude between three different hyperpolarizability measurements on the CGO fullerene, we calculated the optical response of this cluster using a tight-binding Hamiltonian and compared the results to those for a benzene molecule. Our Hamiltonian reproduces the linear polarizability and hyperpolarizability of benzene reasonably well. For C60, our ca...

Anti-Influenza Activity of C60 Fullerene Derivatives

The H1N1 influenza A virus, which originated in swine, caused a global pandemic in 2009, and the highly pathogenic H5N1 avian influenza virus has also caused epidemics in Southeast Asia in recent years. Thus, the threat from influenza A remains a serious global health issue, and novel drugs that target these viruses are highly desirable. Influenza A RNA polymerase consists of the PA, PB1, and P...

Permeation of skin with (C60) fullerene dispersions

Dispersions in transcutol/isopropyl myristate make C60 fullerene molecules suitable for transdermal delivery. We found that C60 can successfully permeate the skin using pig skin in Franz diffusion cells. Molecular dynamics simulations and transmission electron microscopy confirmed these observations. Basic cosmetic formulations with transcutol/isopropyl myristate without harsh organic solvents ...