Fullerene epoxides, C₆₀O(n), having epoxide groups directly attached to the fullerene cage, constitute an interesting class of fullerene derivatives. In particular, the chemical transformations of fullerene epoxides are expected to play an important role in the development of functionalized fullerenes. This is because such transformations can readily afford a variety of mono- or polyfunctionali...

in this research at the first metoprolol drug and its fullerene derivative were optimized. natural bond orbital (nbo), nuclear indepndent chemical shift (nics) and finally ir calculations, for these compounds were carried out at the b3lyp/6-31g* quantum chemistry level. different parameters such as energy levels, the amount of chemical shift in different atoms, the amount of homo/lumo, chemical...

As various fullerene derivatives have been developed, it is necessary to explore their photophysical properties for potential use in photoelectronics and medicine. Here, we address the photophysical properties of newly synthesized water-soluble fullerene-based nanoparticles and polyhydroxylated fullerene as a representative water-soluble fullerene derivative. They show broad emission band arisi...

Abstract Recent studies have reported that adding nanoparticles to graphene enables macroscale superlubricity be achieved. This study focuses on the role of in achieving superlubricity. First, because nanoscrolls can formed with as seeds under shear force, applied load (or force) is adjusted manipulate formation and reveal relationship between graphene-nanoscroll superlubricating performance. S...

A highly-ordered 3D covalent fullerene framework is presented with a structure based on octahedrally functionalized fullerene building blocks in which every fullerene is separated from the next by six functional groups and whose mesoporosity is controlled by cooperative self-assembly with a liquid-crystalline block copolymer. The new fullerene-framework material was obtained in the form of supp...

Parkinson's disease is a degenerative disorder of the central nervous system. It results from the death of dopamine-containing cells in the substantia nigra, a region of the midbrain; the cause of cell-death is unknown. Procyclidine is used to treat parkinsonism (slowed movements, stiffness of the body, uncontrollable body movements, weakness, tiredness, soft voice, and other symptoms caused by...

In this study, the influence of fullerene junction on the chemical features of 16 different drugs including Captopril, Clonidine, Methyldopa, Naphazoline, Oxymetazoline, Tetrahydrozoline, Xylometazoline, Tolazoline, Clemastine, Procyclidine, Tyramine, Nicotine, Dextroamphetamine, Fluoxetine, Metoprolol and Enalapril was investigated computationally. For this purpose, the mentioned drugs were pl...

A fullerene graph is a planar cubic graph whose all faces are pentagonal and hexagonal. The structure of cyclic edge-cuts of fullerene graphs of sizes up to 6 is known. In the paper we study cyclic 7-edge connectivity of fullerene graphs, distinguishing between degenerated and non-degenerated cyclic edge-cuts, regarding the arrangement of the 12 pentagons. We prove that if there exists a non-de...

WO3-treated fullerene/TiO2 composites (WO3-fullerene/TiO2) were prepared using a sol-gel method. The composite obtained was characterized by BET surface area measurements, X-ray diffraction, scanning electron microscopy, energy dispersive X-ray analysis, transmission electron microscopy, and UV-vis analysis. A methyl orange (MO) solution under visible light irradiation was used to determine the...

In this work, a double-buffer film of TiOx coated with CsOx (TiOx/CsOx) was solution prepared to be applied in poly(3-hexylthiophene):indene-C60 bisadduct (P3HT:ICBA) and P3HT:[6,6]-phenyl-C61-butyric acid methyl ester (PCBM) inverted polymer solar cells (PSCs). Compared with TiOx films and CsOx films, the TiOx/CsOx double-buffer film exhibited a favorable energy-level alignment among TiOx, CsO...