We have investigated the vibrational relaxation of a bare C60 fullerene and C60 fullerenes with covalently attached poly ethylene oxide PEO chains in aqueous solution using classical molecular dynamics simulations. The rate of transfer of vibrational energy from the excited fullerene to the surrounding water was found to be slow for the bare fullerene, with a vibrational relaxation time of appr...

BACKGROUND Doxorubicin (Dox) is one of the most potent anticancer drugs, but its successful use is hampered by high toxicity caused mainly by generation of reactive oxygen species. One approach to protect against Dox-dependent chemical insult is combined use of the cytostatic drug with antioxidants. C60 fullerene has a nanostructure with both antioxidant and antitumor potential and may be usefu...

After discovery of fullerenes there were offered a wide variety of ways of their practical use. Nowadays a lot of patents in the field of fullerene chemistry concern use of fullerenes and nanotubes in semiconductor and nanoeletronic devices, e.g. photodiodes, transistors, sun batteries. Due to high electronegativity, fullerene C60 can easily form charge-transfer complexes in which it acts as ac...

Porphyrin-based photosynthetic reaction centre (PRC) mimics, ZnPQ-Q2HP-C60 and MP2Q-Q2HP-C60 (M = Zn or 2H), designed to have a similar special-pair electron donor and similar charge-separation distances, redox processes and photochemical reaction rates to those in the natural PRC from purple bacteria, have been synthesised and extensive photochemical studies performed. Mechanisms of electron-t...

We investigate the polarizability of trimetallic nitride endohedral fullerenes by partitioning the total polarizability into site specific components. This analysis indicates that the polarizability of the endohedral fullerene is essentially due to the outer fullerene cage and has insignificant contribution from the encapsulated unit. Thus, the outer fullerene cages effectively shield the encap...

A purification procedure for C60 from the fullerene extract has been developed using the differential complexation of C60 and C70 with AlCl3 (or its conjugate acid) in CS2 solution. In addition to pure C60 (>99.8%), the procedure also provides C70-enriched fullerene mixture.

In vitro toxicological studies together with atomistic molecular dynamics simulations show that occupational co-exposure with C60 fullerene may strengthen the health effects of organic industrial chemicals. The chemicals studied are acetophenone, benzaldehyde, benzyl alcohol, m-cresol, and toluene which can be used with fullerene as reagents or solvents in industrial processes. Potential co-exp...

The therapeutic effects of fullerene derivatives on many models of inflammatory disease have been demonstrated. The anti-inflammatory mechanisms of these nanoparticles remain to be elucidated, though their beneficial roles in allergy and autoimmune diseases suggest their suppressive potential in acquired immunity. Here, we evaluated the effects of C60 pyrrolidine tris-acid (C60-P) and polyhydro...

New representative of carbacylamidophosphates - diphenyl-N-(trichloroacetyl)-amidophosphate (HL), which contains two phenoxy substituents near the phosphoryl group, was synthesized, identified by elemental analysis and IR and NMR spectroscopy, and tested as a cytotoxic agent itself and in combination with C60 fullerene.According to molecular simulation results, C60 fullerene and HL could intera...

A new functionalized [60]fullerene-glycidyl azide polymer (C60-GAP) was synthesized for the first time using a modified Bingel reaction of [60]fullerene (C60) and bromomalonic acid glycidyl azide polymer ester (BM-GAP). The product was characterized by Fourier transform infrared (FTIR), ultraviolet-visible (UV-Vis), and nuclear magnetic resonance spectroscopy (NMR) analyses. Results confirmed t...