In this work, we report the functionalization of flat Si(100) surfaces with a calix[8]arene derivative through a thermal hydrosilylation process, followed by docking with [60]fullerene. Chemical grafting of calix[8]arene on silicon substrates was evaluated by X-ray photoelectron spectroscopy, whereas host-guest immobilization of fullerene was demonstrated by atomic force microscopy and sessile ...

To elucidate important parameters for in vitro toxicity assessment of C(60) and C(70) fullerene colloidal particles, experiments were carried out in culture medium using pulsed field gradient nuclear magnetic resonance (PFG-NMR), asymmetrical flow field-flow fractionation (AFFFF), and dynamic light scattering (DLS) methods. First, the amounts of total and bulk bovine serum albumin (BSA) molecul...

Mass-selected beams of endohedral fullerene Ce@C82 ions, of atomic Ce q+ ions (q=2,3,4), and of empty fullerene-cage C82 ions were employed to study photoionization of fullerene-encapsulated and free cerium atoms. The Ce 4d inner-shell contributions to single and double ionization of the endohedral Ce@C82 fullerene have been extracted from the data and compared with expectations based on theory...

A database has been derived from recently reported [60]fullerene derivatives, and their binding scores with HIV-1 PR have been computed using docking techniques. Computational methods have been used to predict which derivatives may have high binding affinities, and for these compounds biological tests have been performed with purified PR. Experimental results confirm the high binding scores of ...

A fullerene graph is a cubic bridgeless plane graph with all faces of size 5 and 6. We show that every fullerene graph on n vertices can be made bipartite by deleting at most √ 12n/5 edges, and has an independent set with at least n/2 − √ 3n/5 vertices. Both bounds are sharp, and we characterise the extremal graphs. This proves conjectures of Došlić and Vukičević, and of Daugherty. We deduce tw...

We examine the ultrafast dynamics of exciton migration and polaron production in sequentially processed 'quasi-bilayer' and preblended 'bulk heterojunction' (BHJ) solar cells based on conjugated polymer films that contain the same total amount of fullerene. We find that even though the polaron yields are similar, the dynamics of polaron production are significantly slower in quasi-bilayers than...

In this work, we have studied the antioxidant activity of fullerene C60 towards OH free radicals, using quantum chemistry and computational kinetics methods. Energy profiles are calculated using different basis sets, and reaction rate constants are reported for the first time. The reaction rate constant for the addition of the OH radical to the fullerene C60 is reported for the first time. A va...

Fullerenes have attracted considerable attention due to their unique chemical structure and potential applications. In this study fullerenes (C20 to C180) were interacted with different forms of DNA i.e. A, B and Z-forms. And no such change in the binding score was observed with the change in the sequence of DNA. In fact, binding score increases with the increase in the molecular weight of the ...

A fullerene molecular tip was used to detect electron tunneling from a single porphyrin molecule. Electron tunneling was found to occur locally from an electron-donating moiety of the porphyrin to the fullerene through charge-transfer interaction between them. In addition, electron tunneling within the single fullerene-porphyrin pair exhibited rectifying behavior in which electrons can be drive...

The electrochemical reduction of tert-butylcalix[8]arene-C(60) particle films was studied using the scanning electrochemical microscope combined with a quartz crystal microbalance (QCM) for several electrolytes in MeCN. Complexation of the fullerene within the film results in a negative shift of the peak potential of the first cathodic wave by about 400 mV compared to the reduction of a pure C(...