The mechanisms underlying the cytotoxic action of pure fullerene suspension (nano-C60) and water-soluble polyhydroxylated fullerene [C60(OH)n] were investigated. Crystal violet assay for cell viability demonstrated that nano-C60 was at least three orders of magnitude more toxic than C60(OH)n to mouse L929 fibrosarcoma, rat C6 glioma, and U251 human glioma cell lines. Flow cytometry analysis of ...

In this study, the drug atenolol on C60 fullerene were the drug and its derivatives were optimized fullerene. NBO and NMR for complex computations required in the HF/6-31G (d) and B3LYP/6-31G (d) quantum chemistry method was used. Mechanical quantum calculations in theory level of B3LYP/6-31G were performed on structure of atenolol and nano fullerene atenolol with different positions...

In this research 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB) were attached with different nano structures of fullerene with 20, 24 and 60 carbons producing nano structures with diverse molecular weights. Then by the use of density functional theory methods, thermodynamic parameters of TATB with foregoing nanostructures, in wide of temperature, between 300-400 ºK were computed. To this purpo...

In this research 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB) were attached with different nano structures of fullerene with 20, 24 and 60 carbons producing nano structures with diverse molecular weights. Then by the use of density functional theory methods, thermodynamic parameters of TATB with foregoing nanostructures, in wide of temperature, between 300-400 ºK were computed. To this purpo...

Nano carbon materials as nanotube and fullerene have a potential for applications to the advanced industries. For nano carbon materials, it has been recognized that large-scale simulation is a powerful and efficient tool to find and create new functional nano carbon materials. Aiming at conducting the productive simulation for nano-materials, we have developed the large-scale simulation models ...

We have developed a method that enables the efficient insertion of transition-metal atoms and their small clusters into carbon nanotubes. As a model system, Os complexes attached to the exterior of fullerene C60 (exohedral metallofullerenes) were shown to be dragged into the nanotube spontaneously and irreversibly due to strong van der Waals interactions, specific to fullerenes and carbon nanot...

We are studying the application of the electron cyclotron resonance ion source (ECRIS) for the new materials production on nano-scale. Our main target is the endohedral fullerenes. There are several promising approaches to produce the endohedral fullerenes using an ECRIS. One of them is the ion-ion collision reaction of fullerenes and aliens ions to be encapsulated in the mixture plasma of them...

  Purpose: To evaluate the effect of fullerene on chemical properties of naphazoline drug in   water by density functional theory (DFT) methods.   Materials and Methods: Naphazoline belongs to the imidazoline class of sympathomimetics.   The present study on naphazoline drug and its fullerene connected form were carried out using   computerized calculations of Gaussian program in b3lyp/6-31g le...

In situ low-voltage aberration corrected transmission electron microscopy (TEM) observations of the dynamic entrapment of a C60 molecule in the saddle of a bent double-walled carbon nanotube is presented. The fullerene interaction is non-covalent, suggesting that enhanced π–π interactions (van der Waals forces) are responsible. Classical molecular dynamics calculations confirm that the increase...

Here we report on the self-organization characteristics in water of two diastereomer pairs of fullerene-androsterone hybrids that have the hydrophobic C60 appendage in the A and D ring of the androsterone moiety, respectively. The morphology and particle size in aqueous solution were determined by transmission electron microscopy (TEM) and dynamic light scattering (DLS), with satisfactory agree...