Journal articles: 'Fullerenes'

1

Lin, Hao-Sheng, and Yutaka Matsuo. "Functionalization of [60]fullerene through fullerene cation intermediates." Chemical Communications 54, no. 80 (2018): 11244–59. http://dx.doi.org/10.1039/c8cc05965a.

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Fullerene cations, namely [60]fullerene radical cation (C₆₀˙⁺) and organo[60]fullerenyl cation (RC₆₀⁺), open paths for the efficient derivatization of a great variety of fullerenes.

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Pacor, Sabrina, Alberto Grillo, Luka Đorđević, Sonia Zorzet, Marianna Lucafò, Tatiana Da Ros, Maurizio Prato, and Gianni Sava. "Effects of Two Fullerene Derivatives on Monocytes and Macrophages." BioMed Research International 2015 (2015): 1–13. http://dx.doi.org/10.1155/2015/915130.

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Two fullerene derivatives (fullerenes1and2), bearing a hydrophilic chain on the pyrrolidinic nitrogen, were developed with the aim to deliver anticancer agents to solid tumors. These two compounds showed a significantly different behaviour on human neoplastic cell linesin vitroin respect to healthy leukocytes. In particular, the pyrrolidinium ring on the fullerene carbon cage brings to a more active compound. In the present work, we describe the effects of these fullerenes on primary cultures of human monocytes and macrophages, two kinds of immune cells representing the first line of defence in the immune response to foreign materials. These compounds are not recognized by circulating monocytes while they get into macrophages. The evaluation of the pronecrotic or proapoptotic effects, analysed by means of analysis of the purinergic receptor P2X7 activation and of ROS scavenging activity, has allowed us to show that fullerene2, but not its analogue fullerene1, displays toxicity, even though at concentrations higher than those shown to be active on neoplastic cells.

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Iyoda, Masahiko, Hideyuki Shimizu, Shinobu Aoyagi, Hiroshi Okada, Biao Zhou, and Yutaka Matsuo. "Structures and properties of Saturn-like complexes composed of oligothiophene macrocycle with methano[60]fullerene and [70]fullerene." Canadian Journal of Chemistry 95, no. 3 (March 2017): 315–19. http://dx.doi.org/10.1139/cjc-2016-0461.

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π-Expanded oligothienylene macrocycle with a large inner cavity incorporates fullerenes such as methano[60]fullerene (C61H2) and [70]fullerene (C70) inside to form Saturn-like complexes. Although the oligothiophene macrocycle weakly interacts with fullerenes in solution, it forms stable Saturn-like fullerene complexes in the solid state. X-ray analysis of the Saturn-like complexes exhibited short contacts between the sulfur atoms of the oligothiophene macrocycle and fullerene carbons, which hinder the rotation of fullerenes. As a result, the non-covalent interaction between the oligothiophene macrocycle and fullerenes was employed in crystal structure determination of fullerenes. UV–vis–NIR spectra of the Saturn-like complexes showed weak donor–acceptor interaction between the oligothiophene macrocycle and fullerenes.

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Sabirov, Denis Sh. "Polarizability as a landmark property for fullerene chemistry and materials science." RSC Adv. 4, no. 85 (2014): 44996–5028. http://dx.doi.org/10.1039/c4ra06116k.

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The review summarizes data on dipole polarizability of fullerenes and their derivatives, covering the most widespread classes of fullerene-containing molecules (fullerenes, fullerene exohedral derivatives, fullerene dimers, endofullerenes, fullerene ions, and derivatives with ionic bonds).

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Manchado, A., J. J. Díaz-Luis, D. A. García-Hernández, and F. Cataldo. "A Catalog of Diffuse Interstellar Bands in Fullerene-Containing Planetary Nebulae." Proceedings of the International Astronomical Union 9, S297 (May 2013): 223–25. http://dx.doi.org/10.1017/s1743921313015901.

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AbstractLarge fullerenes and fullerene-based molecules have been proposed as carriers of diffuse interstellar bands (DIBs). The recent detection of the most common fullerenes (C60 and C70) around some Planetary Nebulae (PNe) now enable us to study the DIBs in fullerene-rich space environments. We have studied the presence of DIBs in the optical spectra (~3300-9400 Å) of two fullerene-containing PNe (Tc 1 and M 1-20). Special attention is given to DIBs which are found to be unusually intense in fullerene-containing PNe; several of these DIBS have not previously been reported. Fullerenes larger than C60 (and C70) and multishell fullerenes may be possible candidate carriers for the unusual DIBs seen in fullerene-rich environments.

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Djordjevic, Aleksandar, and Gordana Bogdanovic. "Fullerenol: A new nanopharmaceutic?" Archive of Oncology 16, no. 3-4 (2008): 42–45. http://dx.doi.org/10.2298/aoo0804042d.

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Chemical modification of fullerenes to hydrosoluble cluster molecules made fullerenes interesting for biological investigation. Among them, polycarbonated and polyhydroxylated fullerene C60 derivatives showed the most interesting biological activities. In this paper, we present the most important recent results of in vitro and in vivo biological studies with fullerenol C60(OH)24. Fullerenol C60(OH)24 was strong antioxidant: it reacted with superoxide anion radical, hydroxy radical and nitrous oxide radical in chemical and biological systems. Fullerenol C60(OH)24 did not inhibit human breast cancer cell growth at concentrations from 0.8 to 3.45 ?M, but strongly modulated cytotoxic effects of doxorubicin and cis-platinum after 24 and 48 hours of treatment. Radioprotective effects of fullerenol C60(OH)24 were shown in different in vitro and in vivo models. Fullerenol C60(OH)24 (100 mg/kg) protected rat heart from doxorubicin toxicity. Biodistribution studies of fulelrenol were also investigated. Accumulating data from the literature and from our studies suggest that fullerenol, as a nanoparticle might be a new promising pharmaceutical in the near future.

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Panova, Gayane G., Konstantin N. Semenov, Anna S. Zhuravleva, Yuriy V. Khomyakov, Elena N. Volkova, Galina V. Mirskaya, Anna M. Artemyeva, Nailia R. Iamalova, Victoriya I. Dubovitskaya, and Olga R. Udalova. "Obtaining Vegetable Production Enriched with Minor Micronutrients Using Fullerene Derivatives." Horticulturae 9, no. 7 (July 20, 2023): 828. http://dx.doi.org/10.3390/horticulturae9070828.

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Elaborating on the methods and means of enriching nutrition, including that of plants, with a number of microelements that are vital for humans is now very important due to the unresolved acute problems of micronutrient deficiency and imbalance, which affect the majority of the population of various countries in the world. Promising solutions for the implementation of biofortification in terms of safety, efficiency, size, biocompatibility, and transportability are the water-soluble derivatives of C60 or C70 fullerene. By now, the use of water-soluble fullerenes (C60(OH)22–24 or C70(OH)12–14 fullerenols, C60 fullerene with glycine or with arginine: C60-L-Gly or C60-L-Arg) with various functional groups for plant enrichment is pioneering. Experimental research work was carried out at the agrobiopolygon of the Agrophysical Research Institute under controlled microclimate conditions. This work constituted an assessment of the influence of C60(OH)22–24 fullerenol introduction into the soil on the content of macro- and microelements in the soil and in plants, for example, cucumber, as well as on the plants’ physiological state (photosynthetic pigments, the intensity of lipid peroxidation, the activity of peroxidase and catalase enzymes), growth, and element content. Its aim was to study the possibility of enriching the plants’ production (Chinese cabbage, tomato, and cucumber) with compositions of the fullerene derivatives (C60-L-Gly or C60-L-Arg, C60(OH)22–24 or C70(OH)12–14 fullerenols) and selenium or zinc compounds by introducing them into a nutrient solution or by foliar treatment of plants. It was revealed that the introduction of solutions of C60 fullerenol in various concentrations (1 mg/kg, 10 mg/kg, and 100 mg/kg) into soddy-podzolic sandy loamy soil contributed to the activation of the processes of nitrogen transformation in the soil, in particular, the enhancement of the process of nitrification, and to the increase in the content of mobile forms of some macro- and microelements in the soil as well as of the latter in plant organs, for example, in cucumber plants, especially in their leaves. Along with this, the plants showed an increase in the content of photosynthetic pigments, a predominant decrease in the activity of the oxidative enzyme peroxidase and in the intensity of lipid peroxidation, and an increase in the content of the reducing enzyme catalase. The improvement in the physiological state of plants had a positive effect on the growth rates of cucumber plants. The compositions of solutions of amino acid fullerenes (C60-L-Gly or C60-L-Arg) and sodium selenate as well as C60 or C70 fullerenols and zinc sulfate, selected on the basis of different charges of molecules or functional groups of fullerene derivatives, showed higher efficiency at low concentrations in enriching the plant products of Chinese cabbage, tomato, and cucumber with selenium and zinc, respectively, compared with mineral salts of the indicated elements and control (edible part of Chinese cabbage: by 31.0−89.0% relative to that in the control and by 26.0–81.0% relative to the treatment of plants with a sodium selenate; tomato fruits: by 33.7–42.2% relative to that in the control and by 10.2–17.2% relative to the treatment of plants with a sodium selenate; cucumber fruits: by 42.0–59.0% relative to that in the control and by 10.0–23.0% relative to the treatment of plants with a zinc sulfate). At the same time, the quantitative characteristics of growth, productivity, and/or quality of the obtained products increase and improve accordingly. The prospects for further research include an in-depth study into the mechanisms of the compositions of fullerene derivatives and various compounds of trace elements’ influence on the plants, as well as the synthesis and study of the various exo- and endo derivatives of fullerenes’ properties, including C60 complex compounds with transition metals and fullerenes, which, inside their carbon networks, contain atoms of various chemical elements, such as lanthanum and others.

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Gao, Yang, and Heping Zhang. "Clar Structure and Fries Set of Fullerenes and (4,6)-Fullerenes on Surfaces." Journal of Applied Mathematics 2014 (2014): 1–11. http://dx.doi.org/10.1155/2014/196792.

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Fowler and Pisanski showed that the Fries number for a fullerene on surface Σ is bounded above by|V|/3, and fullerenes which attain this bound are exactly the class of leapfrog fullerenes on surface Σ. We showed that the Clar number of a fullerene on surface Σ is bounded above by(|V|/6)-χ(Σ), whereχ(Σ)stands for the Euler characteristic of Σ. By establishing a relation between the extremal fullerenes and the extremal (4,6)-fullerenes on the sphere, Hartung characterized the fullerenes on the sphereS0for which Clar numbers attain(|V|/6)-χ(S0). We prove that, for a (4,6)-fullerene on surface Σ, its Clar number is bounded above by(|V|/6)+χ(Σ)and its Fries number is bounded above by(|V|/3)+χ(Σ), and we characterize the (4,6)-fullerenes on surface Σ attaining these two bounds in terms of perfect Clar structure. Moreover, we characterize the fullerenes on the projective planeN1for which Clar numbers attain(|V|/6)-χ(N1)in Hartung’s method.

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9

Dresselhaus, M. S., G. Dresselhaus, and P. C. Eklund. "Fullerenes." Journal of Materials Research 8, no. 8 (August 1993): 2054–97. http://dx.doi.org/10.1557/jmr.1993.2054.

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A review of the structure and properties of fullerenes is presented. Emphasis is given to their behavior as molecular solids. The structure and property modifications produced by alkali-metal doping are summarized, including modification to the electronic structure, lattice modes, transport, and optical properties. Particular emphasis is given to the alkali-metal-doped fullerenes because of their importance as superconductors. A review of the structure and properties of fullerene-based graphene tubules is also given, including a model for their one-dimensional electronic band structure. Potential applications for fullerene-based materials are suggested.

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Sánchez-Bernabe, Francisco J. "Study of fullerenes C₁₂₆ and C₁₅₆ with seven heptagon rings." Journal of Physics: Conference Series 2321, no. 1 (August 1, 2022): 012028. http://dx.doi.org/10.1088/1742-6596/2321/1/012028.

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Abstract We consider fullerenes C126 and C156, both of them with seven heptagon rings. The first of them is C126 with 19 pentagons, and 39 hexagons. It is also considered C156 with 19 pentagons, and 54 hexagons. From previous work, a couple of fullerenes, C130 and C134, are mentioned for comparative reasons. These two fullerenes also contain seven heptagon rings. Fullerene C130 is constituted of 19 pentagons, and 41 hexagons. On the other hand, fullerene C134 has 19 pentagons, and 43 hexagons. Therefore, the four fullerenes considered, with seven heptagon rings, also share the property that, the number of pentagons in each of them, is 19. This fact is a consequence of a couple of equations that relates the number of pentagons, hexagons, and heptagons contained in a fullerene. Classical fullerenes contain only pentagons and hexagons, and the more familiar example is C60 with 20 hexagons, and 12 pentagons. Actually, all classical fullerenes have 12 pentagons, regardless of how many hexagons are involved. Besides this type of molecules, there exists nonclassical fullerenes, where another type of ring is presented, like squares, or heptagons. In this paper, fullerenes with 126, 130, 134, and 156 carbons are considered, with seven heptagons, and as a consequence, all them contain 19 pentagons, and they have 39, 41, 43, and 54 hexagons, respectively. Future work would focus on finding fullerenes with a different number of carbons, and hexagons, but with 7 heptagons, and 19 pentagons. Thus, fullerene C128 of this type, should contain 40 hexagons.

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Katin, Konstantin P., Alexey I. Kochaev, Savas Kaya, Fadoua El-Hajjaji, and Mikhail M. Maslov. "Ab Initio Insight into the Interaction of Metal-Decorated Fluorinated Carbon Fullerenes with Anti-COVID Drugs." International Journal of Molecular Sciences 23, no. 4 (February 21, 2022): 2345. http://dx.doi.org/10.3390/ijms23042345.

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We theoretically investigated the adsorption of two common anti-COVID drugs, favipiravir and chloroquine, on fluorinated C60 fullerene, decorated with metal ions Cr3+, Fe2+, Fe3+, Ni2+. We focused on the effect of fluoridation on the interaction of fullerene with metal ions and drugs in an aqueous solution. We considered three model systems, C60, C60F2 and C60F48, and represented pristine, low-fluorinated and high-fluorinated fullerenes, respectively. Adsorption energies, deformation of fullerene and drug molecules, frontier molecular orbitals and vibrational spectra were investigated in detail. We found that different drugs and different ions interacted differently with fluorinated fullerenes. Cr3+ and Fe2+ ions lead to the defluorination of low-fluorinated fullerenes. Favipiravir also leads to their defluorination with the formation of HF molecules. Therefore, fluorinated fullerenes are not suitable for the delivery of favipiravir and similar drugs molecules. In contrast, we found that fluorine enhances the adsorption of Ni2+ and Fe3+ ions on fullerene and their activity to chloroquine. Ni2+-decorated fluorinated fullerenes were found to be stable and suitable carriers for the loading of chloroquine. Clear shifts of infrared, ultraviolet and visible spectra can provide control over the loading of chloroquine on Ni2+-doped fluorinated fullerenes.

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Chen, Guoping, Lok Kumar Shrestha, and Katsuhiko Ariga. "Zero-to-Two Nanoarchitectonics: Fabrication of Two-Dimensional Materials from Zero-Dimensional Fullerene." Molecules 26, no. 15 (July 30, 2021): 4636. http://dx.doi.org/10.3390/molecules26154636.

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Nanoarchitectonics of two-dimensional materials from zero-dimensional fullerenes is mainly introduced in this short review. Fullerenes are simple objects with mono-elemental (carbon) composition and zero-dimensional structure. However, fullerenes and their derivatives can create various types of two-dimensional materials. The exemplified approaches demonstrated fabrications of various two-dimensional materials including size-tunable hexagonal fullerene nanosheet, two-dimensional fullerene nano-mesh, van der Waals two-dimensional fullerene solid, fullerene/ferrocene hybrid hexagonal nanosheet, fullerene/cobalt porphyrin hybrid nanosheet, two-dimensional fullerene array in the supramolecular template, two-dimensional van der Waals supramolecular framework, supramolecular fullerene liquid crystal, frustrated layered self-assembly from two-dimensional nanosheet, and hierarchical zero-to-one-to-two dimensional fullerene assembly for cell culture.

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Nisoh, Nililla, Viwan Jarerattanachat, Mikko Karttunen, and Jirasak Wong-ekkabut. "Fullerenes’ Interactions with Plasma Membranes: Insight from the MD Simulations." Biomolecules 12, no. 5 (April 26, 2022): 639. http://dx.doi.org/10.3390/biom12050639.

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Understanding the interactions between carbon nanoparticles (CNPs) and biological membranes is critically important for applications of CNPs in biomedicine and toxicology. Due to the complexity and diversity of the systems, most molecular simulation studies have focused on the interactions of CNPs and single component bilayers. In this work, we performed coarse-grained molecular dynamic (CGMD) simulations to investigate the behaviors of fullerenes in the presence of multiple lipid components in the plasma membranes with varying fullerene concentrations. Our results reveal that fullerenes can spontaneously penetrate the plasma membrane. Interestingly, fullerenes prefer to locate themselves in the region of the highly unsaturated lipids that are enriched in the inner leaflet of the plasma membrane. This causes fullerene aggregation even at low concentrations. When increasing fullerene concentrations, the fullerene clusters grow, and budding may emerge at the inner leaflet of the plasma membrane. Our findings suggest by tuning the lipid composition, fullerenes can be loaded deeply inside the plasma membrane, which can be useful for designing drug carrier liposomes. Moreover, the mechanisms of how fullerenes perturb multicomponent cell membranes and how they directly enter the cell are proposed. These insights can help to determine fullerene toxicity in living cells.

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Wang, C. Z., B. L. Zhang, C. H. Xu, C. T. Chan, and K. M. Ho. "STRUCTURES AND STABILITIES OF CARBON FULLERENES." International Journal of Modern Physics B 06, no. 23n24 (December 1992): 3833–38. http://dx.doi.org/10.1142/s0217979292001894.

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The structures and stabilities of carbon fullerenes C n( n =20–94) are studied with tight-binding molecular dynamics in combination with a new scheme for generating energetically favorable fullerene networks. Magic numbers for fullerene formation energy are observed at n =60, 70 and 84. The experimental observation of the more abundant fullerenes is related to the fragmentation stabilities and chemical reactivities of the fullerenes obtained from our calculations.

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Khamatgalimov, Ayrat R., and Valeri I. Kovalenko. "Substructural Approach for Assessing the Stability of Higher Fullerenes." International Journal of Molecular Sciences 22, no. 7 (April 4, 2021): 3760. http://dx.doi.org/10.3390/ijms22073760.

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This review describes the most significant published results devoted to the study of the nature of the higher fullerenes stability, revealing of correlations between the structural features of higher fullerene molecules and the possibility of their producing. A formalization of the substructure approach to assessing the stability of higher fullerenes is proposed, which is based on a detailed analysis of the main structural features of fullerene molecules. The developed substructure approach, together with the stability of the substructures constituting the fullerene molecule, helps to understand deeper the features of the electronic structure of fullerenes.

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Liu, Botao. "Exposure Pathways and Toxicity of Fullerenes." Highlights in Science, Engineering and Technology 40 (March 29, 2023): 119–24. http://dx.doi.org/10.54097/hset.v40i.6574.

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Fullerenes have become very popular nowadays in the field of cosmetic and medicine as “radical sponge” because of their high antioxidant activities. However, there are worries about the toxicity of fullerenes due to their special chemical properties and good ability to enter the human body. In this article, it is found that fullerenes have been proved to have the ability to enter animal body through skin penetration, peroral administration and pulmonary absorption beside initiative injection. The potential mechanism of fullerene toxicity is to interrupt the activation process of protein, cause mitochondrial dysfunction and generate ROS to damage organism. Nevertheless, the experiments result shows the negative effects of fullerenes only occur in a high dose and the assessments of fullerenes toxicity show a low result with the IC50 value and LD50 value to be 383.4 lg/mL to HEK293 and 721mg/kg to mice. It is suggested that fullerenes can rarely affect human health as long as people are exposed to the appropriate dose of fullerenes and the toxicity of fullerenes can further reduce via synthesis of fullerene derivates.

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Tanuma, Yuri, Toru Maekawa, and Chris Ewels. "Methodological Investigation for Hydrogen Addition to Small Cage Carbon Fullerenes." Crystals 11, no. 11 (November 1, 2021): 1334. http://dx.doi.org/10.3390/cryst11111334.

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Hydrogenated small fullerenes (Cn, n < 60) are of interest as potential astrochemical species, and as intermediates in hydrogen-catalysed fullerene growth. However, the computational identification of key stable species is difficult due to the vast configurationally space of structures. In this study, we explored routes to predict stable hydrogenated small fullerenes. We showed that neither local fullerene geometry nor local electronic structure analysis was able to correctly predict subsequent low-energy hydrogenation sites, and sequential stable addition searches also sometimes failed to identify most stable hydrogenated fullerene isomers. Of the empirical and semi-empirical methods tested, GFN2-xTB consistently gave highly accurate energy correlations (r > 0.99) to full DFT-LDA calculations at a fraction of the computational cost. This allowed identification of the most stable hydrogenated fullerenes up to 4H for four fullerenes, namely two isomers of C28 and C40, via “brute force” systematic testing of all symmetry-inequivalent combinations. The approach shows promise for wider systematic studies of smaller hydrogenated fullerenes.

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Barrera, E. V., J. Sims, D. L. Callahan, V. Provenzano, J. Milliken, and R. L. Holtz. "Processing of fullerene-reinforced composites." Journal of Materials Research 9, no. 10 (October 1994): 2662–69. http://dx.doi.org/10.1557/jmr.1994.2662.

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This work has been motivated by the current interest in using fullerenes as a possible reinforcement in structural materials. The fullerenes (of which C60 is the most common) are nanometer in size and have been observed to be stable in contact with various metal systems. Therefore, they offer a nanosize reinforcement that is lightweight and hollow. In this research the emphasis was on processing metals with fullerene additions where the fullerenes were dispersed throughout the metal. Various processing approaches were employed to produce nanocrystalline materials, thin films, and powder-processed composites. Indications are that fullerenes remained unaltered with each processing approach in matrices of tin, copper, and aluminum. A key aspect of the processing of metals containing dispersed fullerenes was the use of fullerene sublimation. Along with the various processing methods identified, the methods of characterizing the fullerenes in the metals were also identified.

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Morozova, E. V., and D. A. Timkaeva. "Influence of Encapsulation of Fullerenes on Optical and Thermoelectric Properties of Carbon Nanotubes." Proceedings of Universities. Electronics 26, no. 2 (April 2021): 123–31. http://dx.doi.org/10.24151/1561-5405-2021-26-2-123-131.

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The hybrid systems based on the carbon nanotubes (CNT) and fullerenes (nanopipodes) are promising for applications in nanoelectronics. With insignificant variation of the CNT diameter the change of the fullerenes geometry takes place. The periodically located inside fullerenes represent a set of quantum points in the one-dimensional super-lattice. Using the variation of inside fullerenes it is possible to modulate the zone structure of the CNT – fullerene system and to control the electronic and phonon characteristics of nanopipodes. In the work the optical and thermoelectric properties of CNT with encapsulated molecules of C60 fullerene have been investigated. Using the first-principle methods the coefficients of absorption, optical conductivi-ty, thermal conductivity, thermoelectric figure of merit for CNT with fullerenes, periodically lo-cated inside the nanotubes at different distances from each other, have been calculated. It has been shown that with decreasing the distance between fullerenes the optical conductivity of CNT – C60 is suppressed at high frequencies. It has been determined that the conductance of the structures with fullerenes is less than the conductance of a clean tube, and approximately equal for considered distances (12.3 and 19.7 Å) between fullerenes. The CNT thermal conductivity due to the encapsulation of fullerenes considerably (3–4 times) decreases for the considered CNT (8.8) – C60 systems.

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HASHIZUME, T., and T. SAKURAI. "FULLERENES ADSORPTION ON Cu(111) AND Ag(111) SURFACES." Surface Review and Letters 03, no. 01 (February 1996): 905–13. http://dx.doi.org/10.1142/s0218625x96001637.

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Initial stage adsorption and film growth of C 60, C 70, C 60(x) C 70(1−x), and Sc 2@ C 84 fullerene molecules on Cu (111) and Ag (111) surfaces have been investigated by field-ion scanning tunneling microscopy. Fullerene molecules are mobile on the terrace and initially segregate to the step edges. A well-ordered monolayer films form with a close-packed arrangement upon annealing the fullerence-covered surfaces. The (4×4) phases form in the case of the C 60, C 70, and C 60(x) C 70(1−x) adsorption on the Cu (111)-(1×1) surface, indicating a strong interaction between the Cu substrate and fullerenes. Intramolecular structures of the C 60 and C 70 molecules are observed and interpreted as the mappings of the local electron density of states. On the Ag (111) surface, C 60 and Sc 2@ C 84 monolayer films show several phases that have almost identical nearest neighbor distance but are rotated from each other, indicating weaker interaction between the Ag substrate and fullerenes compared with the case of Cu .

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Wang, Jing, Haigang Lu, Yingfang Fan, and Si-Dian Li. "IhSymmetrical (4,6)-Fullerenes and Their Local Ring Aromaticity: A First Principle Study." Journal of Nanomaterials 2015 (2015): 1–5. http://dx.doi.org/10.1155/2015/867497.

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As the natural extension of carbon fullerene, a series of Ihsymmetrical (4,6)-fullerenes were constructed and investigated using first principle methods. These Ih(4,6)-fullerenes consist of many four- and six-membered rings and are classified into two types: (1) those with isolated four- and six-membered rings and (2) those with connected four- and/or six-membered rings. Though these (4,6)-fullerenes are less stable than IhC60and C240(5,6)-fullerene, it is possible to synthesize them from their elemental unit, antikekulene, which was nearly synthesized experimentally. Though the (4,6)-fullerenes are mainly spherical and antiaromatic compounds, the local aromatic indexes indicate that all of the planarπ-conjugated rings have local aromaticity in fullerenes, which provides reasonable delocalization, which is consistent with our chemical intuition. Because of the huge cavities and suitable pore sizes present in the (4,6)-fullerenes, they can be taken as potential nanocontainers for the storage of small molecules.

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Blagov, Maksim A., Nataliya G. Spitsina, and Sergei V. Konovalikhin. "CO-CRYSTALLIZATION OF C60 AND С70 FULLERENES IN CRYSTAL-SOLVATE [(C70)X+(С60)Y]• TMTSeF•2(C6H6) (х+у=3)." IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENIY KHIMIYA KHIMICHESKAYA TEKHNOLOGIYA 59, no. 9 (July 17, 2018): 21. http://dx.doi.org/10.6060/tcct.20165909.3y.

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The compexation of (С70/C60) fullerenes with organic p-donor of electrons tetramethyl-(tetra selenium)fulvalene (TMTSeF) in benzene (С6Н6) was studied. Comparison of experimental and calculated X-ray patterns showed that in the investigated single crystals of [(C70)x+(С60)y]· TMTSeF·2(C6H6) (х+у=3) (1) С70 and C60 fullerens are co-crystallized. IR spectral data and electroconductivity of 1 indicate the absence of the charge transfer on fullerene molecule for complexes under study.

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Uchida, Noriyuki, Masayoshi Yanagi, and Hiroki Hamada. "Fullerene Nanoparticles Using Technol PG for Inexpensive Preparation." Natural Product Communications 17, no. 7 (July 2022): 1934578X2211155. http://dx.doi.org/10.1177/1934578x221115556.

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Fullerene has attracted much attention for applications in biomaterials because of its high antioxidant activity. In this study, C60 and C70 fullerenes were mixed with a commercially available anionic phospholipid mixture, Technol PG, and sodium cholate, resulting in effective dispersion of the fullerenes to give small-sized fullerene nanoparticles.

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Filidou, Vasileia, Salvatore Mamone, Stephanie Simmons, Steven D. Karlen, Harry L. Anderson, Christopher W. M. Kay, Alessandro Bagno, et al. "Probing the C 60 triplet state coupling to nuclear spins inside and out." Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 371, no. 1998 (September 13, 2013): 20120475. http://dx.doi.org/10.1098/rsta.2012.0475.

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The photoexcitation of functionalized fullerenes to their paramagnetic triplet electronic state can be studied by pulsed electron paramagnetic resonance (EPR) spectroscopy, whereas the interactions of this state with the surrounding nuclear spins can be observed by a related technique: electron nuclear double resonance (ENDOR). In this study, we present EPR and ENDOR studies on a functionalized exohedral fullerene system, dimethyl[9-hydro (C60-Ih)[5,6]fulleren-1(9 H )-yl]phosphonate (DMHFP), where the triplet electron spin has been used to hyperpolarize, couple and measure two nuclear spins. We go on to discuss the extension of these methods to study a new class of endohedral fullerenes filled with small molecules, such as H 2 @C 60 , and we relate the results to density functional calculations.

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Alshehri, Mansoor H. "An Analytical Model for Lithium Storage in Spherical Fullerenes." Energies 15, no. 19 (September 28, 2022): 7154. http://dx.doi.org/10.3390/en15197154.

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In this paper, the encapsulation of lithium atoms in spherical fullerenes of varying sizes is investigated. The 6–12 Lennard–Jones potential function and the continuum approximation, in which it is assumed that the atoms can be replaced with a uniform distribution across the surface of the molecules, are exploited to model the interaction energies between lithium atoms and spherical fullerenes. Thus, the total interaction energies can be approximated by applying surface integrations. The results show that for a lithium atom interacting inside a spherical fullerene, the interaction energies are minimized at a position that approaches the fullerene wall as the size of the fullerene increases. However, the results show that an external force would need to be applied to a lithium atom in order to overcome the repulsive energy barrier so that it can be encapsulated in CN fullerenes with a radius of less than 2 Å. The present study indicates that the optimal radius that gives the minimum energy for the storage of Li inside CN fullerenes occurs for a fullerene with a radius of ≈2.4 Å. Overall, this study provides an analytical formulation that may facilitate rapid computational results, and an application of this work is in the design of future high-energy-density batteries that utilize CN fullerenes.

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Jaroš, Adam, and Michal Straka. "Endohedral Fullerenes: From Exotic Chemical Bonding to Molecular Circuits." Chemické listy 118, no. 4 (April 15, 2024): 190–94. http://dx.doi.org/10.54779/chl20240190.

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Since their discovery, fullerenes represent a fascinating type of molecule with many unusual properties. One of these is the existence of a cavity into which other atoms and molecules can be enclosed to form the so-called endohedral fullerenes. In terms of fundamental research, endohedral fullerenes provide a platform for studying exotic chemical bonds between atoms enclosed inside the fullerene cage. At the same time, endohedral fullerenes also find practical applications, for example in solar cells, material science, electronics and molecular electronics. In this article, we review the research on exotic bonds in fullerenes and the use of fullerenes as molecular components.

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Cruz-Silva, Rodolfo, Takumi Araki, Takuya Hayashi, Humberto Terrones, Mauricio Terrones, and Morinobu Endo. "Fullerene and nanotube growth: new insights using first principles and molecular dynamics." Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 374, no. 2076 (September 13, 2016): 20150327. http://dx.doi.org/10.1098/rsta.2015.0327.

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Shortly after the discovery of fullerenes, many researchers pointed out that carbon nanotubes could be considered as elongated fullerenes. However, the detailed formation mechanism for both structures has been a topic of debate for several years, and consequently it has been difficult to draw a clear connection between the two systems. While the synthesis conditions appear to be different for both fullerenes and nanotubes, here, we demonstrate that it is highly likely that, at an initial growth stage, single-walled carbon nanotubes begin to grow from a hemisphere-like fullerene cap. More importantly, by analysing the minimum-energy path, it is shown that the insertion of C 2 fragments drives the transformation of this fullerene cap into an elongated structure that leads to the formation of very short carbon nanotubes. This article is part of the themed issue ‘Fullerenes: past, present and future, celebrating the 30th anniversary of Buckminster Fullerene’.

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28

Sheka, E. F. "The Nanoscience of Fullerenes." Materials Science Forum 518 (July 2006): 1–8. http://dx.doi.org/10.4028/www.scientific.net/msf.518.1.

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A brief review of fascinating properties of fullerene is presented on the basis of the concept of effectively non-paired electrons. A versatile chemistry of fullerenes follows from the regioselectivity of their atoms and the uniqueness of donor-acceptor abilities. Computational synthesis of the fullerene derivatives is discussed. Applications of the basic concepts to medicinal applications of fullerenes as well as their magnetic properties and ability to form technomimetic species are considered.

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29

Iglesias-Groth, Susana. "Fullerenes, PAHs, Amino Acids and High Energy Astrophysics." Acta Polytechnica CTU Proceedings 1, no. 1 (December 4, 2014): 38–41. http://dx.doi.org/10.14311/app.2014.01.0038.

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We present theoretical, observational and laboratory work on the spectral properties of fullerenes and hydrogenated fullerenes. Fullerenes in its various forms (individual, endohedral, hydrogenated, etc.) can contribute to the UV bump in the extinction curves measured in many lines of sight of the Galaxy. They can also produce a large number of absorption features in the optical and near infrared which could be associated with diffuse interstellar bands. We summarise recent laboratory work on the spectral characterisation of fullerenes and hydrogenated fullerenes (for a range of temperatures). The recent detection of mid-IR bands of fullerenes in various astrophysical environments (planetary nebulae, reflection nebulae) provide additional evidence for a link between fullerene families and diffuse interstellar bands. We describe recent observational work on near IR bands of C<sub>60</sub><sup>+</sup> in a protoplanetary nebula which support fullerene formation during the post-AGB phase. We also report on the survival of fullerenes to irradiation by high energy particles and gamma photons and laboratory work to explore the chemical reactions that take place when fullerenes are exposed to this radiations in the presence of water, ammonia and other molecules as a potential path to form amino acids.

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Barrera, E. V., J. Sims, and D. L. Callahan. "Development of fullerene-reinforced aluminum." Journal of Materials Research 10, no. 2 (February 1995): 366–71. http://dx.doi.org/10.1557/jmr.1995.0366.

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Powder metallurgy and casting have been used to produce aluminum with 1.3, 4, and 8 vol. % fullerene additions. Fullerene extract was mixed with Al and heat-treated to obtain various levels of dispersion of the fullerenes. Intergranular dispersion of stable fullerenes was accomplished by both powder metallurgy and casting; however, x-ray diffraction indicated the formation of some Al4C3. Homogeneous dispersion did not occur because of limited diffusion in the solid state or limited solubility of fullerene in Al in the liquid state. Enhancements in hardness over that for Al were observed yet were not comparable to precipitation hardened Al alloys since a less homogeneous dispersion was achieved. Interest in Al having fullerene additions is for development of fullerene strengthened materials where fullerenes act as nanosize dispersoids for dispersion strengthening of metals or as a lightweight reinforcement in metal-matrix composites.

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31

Alver, Özgür, Cemal Parlak, Mustafa Şenyel, and Ponnadurai Ramasami. "Density functional theory study on the adsorption of valproic acid to doped fullerenes." Main Group Metal Chemistry 41, no. 3-4 (August 28, 2018): 67–71. http://dx.doi.org/10.1515/mgmc-2018-0002.

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Abstract Fullerenes and heteroatom doped fullerenes exhibit high potential as drug delivery agents in sensor technology and medical applications. We investigated, using density functional theory, the possible interaction sites and the nature of interaction, adsorption energy assessments, band gap energy evaluations, charge transfer analyses, and some diagnostic vibrational band assignments for valproic acid (VPA) and aluminum, silicon, and boron decorated fullerene systems. The present research shows that VPA has strong interaction with the doped fullerene cages particularly at its carbonyl edge. Therefore, these doped fullerenes can be suggested as possible drug delivery agents.

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Melker, Alexander I., Maria A. Krupina, and Ruslan M. Zarafutdinov. "Periodic System of Fullerenes: the Column of Three-Fold Symmetry." Nonlinear Phenomena in Complex Systems 22, no. 4 (December 10, 2019): 383–94. http://dx.doi.org/10.33581/1561-4085-2019-22-4-383-394.

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We have studied possible ways of growing the fullerenes having initial three-fold symmetry. Beginning with the basic fullerenes C8, C14 and C20, which belong to the Δn = 4,6 and 8 series of the periodic table of fullerenes, we obtained intermediate fullerenes are C10, C12, C16 and C18; which fill up the gaps between the basic ones. The intermediate fullerenes are imperfect or semi-perfect. The imperfection is connected either with extra 'interstitial' or 'vacancy' carbon dimers, both types of dimers playing the role of defects. Only the basic fullerenes have the symmetry of the corresponding column, the intermediate fullerenes having no such symmetry. Considering these fullerenes as imperfect due to defects, one can define them as the fullerenes conserving three-fold topological symmetry. These features are also inherent to other more massive fullerenes which create different families and incorporate fullerenes from C8 to C56. We have calculated their energies and discussed possible reasons of their dependence on a fullerene size and shape.

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Kaur, Jupinder, Ravinder Kumar, and Ravinder Singh Sawhney. "Boron Fullerenes (B40)—A Projecting Applicant for Molecular Devices: A Review." Sensor Letters 17, no. 11 (November 1, 2019): 859–64. http://dx.doi.org/10.1166/sl.2019.4158.

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The field of molecular electronics has gained a great impetus in the recent times and made the fabrication of extremely small devices possible that demonstrates extraordinary electrical properties. Being superconductive, fullerenes have drawn concerted attention of the research community committed to the exploration of applications in the field of molecular electronics. After extensive research in the field of carbon fullerenes in the last decade, Boron based fullerenes have stolen the limelight for their inherent stability among fullerene group. While the properties of B80 fullerene are still under exploration, researchers have been successful in synthesizing all boron fullerenes B40 in the laboratory. B40 is distinctive from other known clusters of boron as it has extraordinary properties like high stability and comprises of both acidic and basic sites, making it an optimum choice for detecting a number of gases like hydrogen, ammonia and carbon dioxide. This paper gives a brief review about the properties of B40 and the comparative research done on Boron fullerene so far.

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Piotrovsky, Levon B., Elena V. Litasova, and Marina A. Dumpis. "Why do we need fullerenes today?" Reviews on Clinical Pharmacology and Drug Therapy 17, no. 2 (August 9, 2019): 5–15. http://dx.doi.org/10.17816/rcf1725-15.

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The review focuses on the possibilities and prospects of the use of fullerenes and their derivatives in cosmetics, the only industrial area where fullerenes have found practical application today. Based on the literary data and the results of their own experiments, the authors substantiate the safety of using fullerene for living organisms, as well as the usefulness of introducing fullerene as antioxidant in cosmetic compositions. Other useful properties of fullerene used in cosmetics and dermatology are discussed.

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35

Xu, Piao-Yang, Xiao-Qing Li, Wei-Guang Chen, Lin-Long Deng, Yuan-Zhi Tan, Qianyan Zhang, Su-Yuan Xie, and Lan-Sun Zheng. "Progress in Antiviral Fullerene Research." Nanomaterials 12, no. 15 (July 24, 2022): 2547. http://dx.doi.org/10.3390/nano12152547.

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Unlike traditional small molecule drugs, fullerene is an all-carbon nanomolecule with a spherical cage structure. Fullerene exhibits high levels of antiviral activity, inhibiting virus replication in vitro and in vivo. In this review, we systematically summarize the latest research regarding the different types of fullerenes investigated in antiviral studies. We discuss the unique structural advantage of fullerenes, present diverse modification strategies based on the addition of various functional groups, assess the effect of structural differences on antiviral activity, and describe the possible antiviral mechanism. Finally, we discuss the prospective development of fullerenes as antiviral drugs.

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36

Cami, Jan, Els Peeters, Jeronimo Bernard-Salas, Greg Doppmann, and James De Buizer. "The Formation of Fullerenes in Planetary Nebulae." Galaxies 6, no. 4 (September 21, 2018): 101. http://dx.doi.org/10.3390/galaxies6040101.

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In the last decade, fullerenes have been detected in a variety of astrophysical environments, with the majority being found in planetary nebulae. Laboratory experiments have provided us with insights into the conditions and pathways that can lead to fullerene formation, but it is not clear precisely what led to the formation of astrophysical fullerenes in planetary nebulae. We review some of the available evidence, and propose a mechanism where fullerene formation in planetary nebulae is the result of a two-step process where carbonaceous dust is first formed under unusual conditions; then, the fullerenes form when this dust is being destroyed.

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37

WANG, C. Z., B. L. ZHANG, K. M. HO, and X. Q. WANG. "STRUCTURE, STABILITY, AND ELECTRONIC PROPERTIES OF LARGE FULLERENES." International Journal of Modern Physics B 07, no. 26 (November 30, 1993): 4305–29. http://dx.doi.org/10.1142/s0217979293003681.

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The recent development in understanding the structures, relative stability, and electronic properties of large fullerenes is reviewed. We describe an efficient scheme to generate the ground-state networks for fullerene clusters. Combining this scheme with quantum-mechanical total-energy calculations, the ground-state structures of fullerenes ranging from C 20 to C 100 have been studied. Fullerenes of sizes 60, 70, and 84 are found to be energetically more stable than their neighbors. In addition to the energies, the fragmentation stability and the chemical reactivity of the clusters are shown to be important in determining the abundance of fullerene isomers.

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38

Kyzyma, O. A. "Liquid Systems with Fullerenes in Organic Solvents and Aqueous Media." Ukrainian Journal of Physics 65, no. 9 (August 26, 2020): 761. http://dx.doi.org/10.15407/ujpe65.9.761.

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The unique properties of nanocarbon materials – in particular, fullerenes – has led in recent years to the expansion of the spectrum of their application in various fields of the industry, including the chemical, energy, and pharmaceutical ones. The use of fullerenes in new industries poses new challenges to the scientific and research community. Thus, new methods of obtaining biocompatible liquid systems with small-sized monodisperse fullerene aggregates are still being sought. The paper focuses on the properties of fullerene solutions in mixtures of organic solvents, which serve as a basis for the development of new methods for synthesizing the aqueous liquid systems with fullerenes.

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Mikheev, Ivan V., Viktor A. Verkhovskii, Sofiya M. Byvsheva, Dmitry S. Volkov, Mikhail A. Proskurnin, and Vladimir K. Ivanov. "Simultaneous Quantification of Fullerenes C60 and C70 in Organic Solvents by Excitation–Emission Matrix Fluorescence Spectroscopy." Inorganics 11, no. 4 (March 23, 2023): 136. http://dx.doi.org/10.3390/inorganics11040136.

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Excitation–emission matrix (EEM) fluorescence spectroscopy of unmodified (pristine) fullerenes C60 and C70 in benzene, toluene, and n-hexane at room temperature was used for their quantification by their solvent-dependent EEM bands specific to each fullerene. The intensity and parameters of fluorescence depend on both the fullerene and solvent and provide the conditions for the quantification of both fullerenes in their mixtures without separation. The detection limits for C60 in n-hexane and C70 in benzene under the selected conditions are 7 and 2 nmol/L, respectively. The approach was tested for model and real mixtures of fullerenes C60 and C70.

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Dumpis, Marina A., Dmitrii N. Nikolayev, Elena V. Litasova, Viktor V. Iljin, Mariya A. Brusina, and Levon B. Piotrovsky. "Biological activity of fullerenes - reality and prospects." Reviews on Clinical Pharmacology and Drug Therapy 16, no. 1 (March 15, 2018): 4–20. http://dx.doi.org/10.17816/rcf1614-20.

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The review deals with the properties of fullerenes and their derivatives and the possibility of their use in biology and medicine. Fullerenes can exert an antioxidant effect in biological systems, catching active forms of oxygen, and oxidative, giving the fullerene photosensitizing properties. The lipophilic fullerene molecules possessing membrane - tropic action interact with various biological structures and can change the functions of these structures, increasing the lipophilicity of the active molecule (amino acids, nucleic acids, proteins, etc.). Data on the biological effect of fullerenes in in vitro and in vivo experiments are given. Examples of targeted delivery of known therapeutic agents. (For citation: Dumpis MA, Nikolaev DN, Litasova EV, et al. Biological activity of fullerenes - reality and prospects. Reviews on Clinical Pharmacology and Drug Therapy. 2018;16(1):4-20. doi: 10.17816/RCF1614-20).

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41

Powell, W. H., F. Cozzi, G. P. Moss, C. Thilgen, R. J. R. Hwu, and A. Yerin. "Nomenclature for the C60-Ih and C70-D5h(6) fullerenes (IUPAC Recommendations 2002)." Pure and Applied Chemistry 74, no. 4 (January 1, 2002): 629–95. http://dx.doi.org/10.1351/pac200274040629.

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Fullerenes are a new allotrope of carbon characterized by a closed-cage structure consisting of an even number of three-coordinate carbon atoms devoid of hydrogen atoms. This class was originally limited to closed-cage structures with 12 isolated five-membered rings, the rest being six-membered rings. Although it was recognized that existing organic ring nomenclature could be used for these structures, the resulting names would be extremely unwieldy and inconvenient for use. At the same time it was also recognized that established organic nomenclature principles could be used, or adapted, to provide a consistent nomenclature for this unique class of compounds based on the class name fullerene. However, it was necessary to develop an entirely new method for uniquely numbering closed-cage systems. This paper describes IUPAC recommendations for naming and uniquely numbering the two most common fullerenes with isolated pentagons, the icosahedral C60 fullerene and a D5h-C70 fullerene. It also describes recommendations for adapting organic nomenclature principles for naming fullerenes with nonclosed-cage structures, heterofullerenes, derivatives formed by substitution of hydrofullerenes, and the fusion of organic rings or ring systems to the fullerene cage. Finally, this paper suggests methods for describing structures consisting of two or more fullerene units and for denoting configurations of chiral fullerenes and their derivatives.

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Keszler, Anna Mária, Éva Kováts, Eszter Bódis, Zoltán Károly, and János Szépvölgyi. "Effect of Metallic and Non-Metallic Additives on the Synthesis of Fullerenes in Thermal Plasma." Condensed Matter 7, no. 3 (June 30, 2022): 44. http://dx.doi.org/10.3390/condmat7030044.

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The effect of metallic (Fe, Cu, Co, Ni, Ti) and non-metallic additives (Si, B) on the formation of fullerenes from graphite powders was studied in radiofrequency (RF) thermal plasma. The main component of the synthesized fullerene mixtures was C60, but higher fullerenes (C70, C82, and C84) could be detected as well. Fe and Cu additives increased the fullerene content in the soot. In contrast, the fullerene formation decreased in the presence of Ti, Si, and B as compared to the synthesis without additives. However, Ti and B addition enhanced the formation of higher fullerenes. We provide experimental evidence that decreasing the reactor pressure results in a lower yield of fullerene production, in accordance with thermodynamic calculations and numerical simulations published earlier. In the presence of titanium, a significant quantity of TiC was also formed as a by-product. The fullerene mixture synthesized with boron additives showed higher stability during storage in ambient conditions as compared to other samples.

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Lun-Fu, Aleksandr V., Alexey M. Bubenchikov, Mikhail A. Bubenchikov, and Vyacheslav A. Ovchinnikov. "Numerical Simulation of Interaction between Kr+ Ion and Rotating C60 Fullerene towards for Nanoarchitectonics of Fullerene Materials." Crystals 11, no. 10 (October 6, 2021): 1204. http://dx.doi.org/10.3390/cryst11101204.

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Dynamics of charged fullerene in a surface layer of fullerite is studied under the influence of neutral or charged particles of the gas phase surrounding the fullerite material. The translational displacements of the nodes of the crystal lattice structure are determined by the equations of motion of the centers of mass of fullerenes. Central fullerene, which is described as a discrete set of sixty carbon atoms, plays a special role in the presented mathematical model. Angular oscillations and rotations of the central fullerene are described by the dynamic Euler equations. All other fullerenes have a centrally symmetric field of the potential of interaction with the surrounding atoms and molecules. In this regard, we use the hybrid discrete–continuous mathematical model with four potentials that describe the interactions between the surrounding fullerenes, smoothed fullerene and an atom, a pair of atoms, and electric charges. The results of a numerical study of influence of the Coulomb interaction on the rotational and translational motion of the C60 fullerene are presented.

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44

Ōsawa, Eiji, Mitsuho Yoshida, and Mitsutaka Fujita. "Shape and Fantasy of Fullerenes." MRS Bulletin 19, no. 11 (November 1994): 33–36. http://dx.doi.org/10.1557/s0883769400048387.

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One of the many wonders that fullerenes have brought to us during the past few years is the variety of their shapes. When the elusive C60 finally showed up in 1990, the perfect symmetry and astounding beauty of its molecular structure touched the hearts of scientists before they could consider the molecule's vast technical possibilities. Already much has been said about the unique shape of C60 and its potentialities. C70 and higher fullerenes have simultaneously been found in the same soot that produced C60 and were quickly revealed to be shaped like rugby balls or oblong eggs. Hence we were aware that there had to be an extensive series of roundish polyhedral clusters of carbon atoms.Then, in the following year, multilayered tubular fullerenes (Figures 1a and 1b) were discovered by Iijima and were named buckytubes (see the article by Iijima in this issue). Iijima also observed similarly huge and multilayered carbon balls, before C60 was discovered. Soon after, buckyonions were recognized as an important class of fullerene (Figure 1c, see article by Ugarte in this issue). So, in the early days of fullerene research, we already knew three forms of fullerene: sphere, tube, and particle. At that time, however, nobody anticipated that this was only the beginning of a big show of stunning variations in the shapes of fullerenes. This article introduces current developments in the study of these fullerene styles.

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Sokolovska, Lība, Maksims Čistjakovs, Alīna Sultanova, and Modra Murovska. "Aqueous C60 Fullerene Solution Effects on Cell Viability." Proceedings of the Latvian Academy of Sciences. Section B. Natural, Exact, and Applied Sciences. 75, no. 2 (April 1, 2021): 86–91. http://dx.doi.org/10.2478/prolas-2021-0014.

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Abstract Fullerenes are carbon nanoparticles with the ability to quench reactive oxygen species. The biomedical potential of fullerenes is diminished by their low solubility in water, but many approaches have been developed to bypass this problem, like chemical modification of the carbon cage and the use of the solvent exchange method to transfer fullerenes from one solvent to the other. These two approaches were used in this study. Carboxylated fullerene aqueous solution was acquired using solvent exchange method transferring fullerene nanoparticles (C60) from toluene to water. Effects of varying concentration (0.5, 1, 1.5, 2, 2.5, 3, 5, 10 µM) of aqueous fullerene solution on cell viability and their antioxidative capabilities were evaluated on PC-3 and on monocytes isolated from a blood donor using Resazurin Cell Viability Assay. PC-3 cell viability was drastically affected by the 10 µM fullerene solution but remained relatively stable when treated with other concentrations even after longer periods of incubation with resazurin dye. Elevated cell viability was observed in monocytes treated with various fullerene concentrations, possibly indicative of fullerene protective activity against oxidative stress.

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46

Chen, Guoping, Biswa Nath Bhadra, Linawati Sutrisno, Lok Kumar Shrestha, and Katsuhiko Ariga. "Fullerene Rosette: Two-Dimensional Interactive Nanoarchitectonics and Selective Vapor Sensing." International Journal of Molecular Sciences 23, no. 10 (May 13, 2022): 5454. http://dx.doi.org/10.3390/ijms23105454.

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The simplicity of fullerenes as assembled components provides attractive opportunities for basic understanding in self-assembly research. We applied in situ reactive methods to the self-assembly process of C60 molecules with melamine/ethylenediamine components in solution, resulting in a novel type of fullerene assemblies, micron-sized two-dimensional, amorphous shape-regular objects, fullerene rosettes. ATR–FTIR spectra, XPS, and TGA results suggest that the melamine/ethylenediamine components strongly interact and/or are covalently linked with fullerenes in the fullerene rosettes. The broad peak for layer spacing in the XRD patterns of the fullerene rosettes corresponds roughly to the interdigitated fullerene bilayer or monolayer of modified fullerene molecules. The fullerene rosettes are made from the accumulation of bilayer/monolayer assemblies of hybridized fullerenes in low crystallinity. Prototype sensor systems were fabricated upon immobilization of the fullerene rosettes onto surfaces of a quartz crystal microbalance (QCM), and selective sensing of formic acid was demonstrated as preliminary results for social-demanded toxic material sensing. The QCM sensor with fullerene rosette is categorized as one of the large-response sensors among reported examples. In selectivity to formic acids against basic guests (formic acid/pyridine >30) or aromatic guests (formic acid/toluene >110), the fullerene rosette-based QCM sensor also showed superior performance.

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47

Farmanzade, Davood, and Leila Tabari. "Characterization of the fullerene end-functionalized ZnO nanotube: A computational study." Journal of Theoretical and Computational Chemistry 15, no. 04 (June 2016): 1650031. http://dx.doi.org/10.1142/s0219633616500310.

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The electronic and field emission properties of the fullerene end-functionalized zinc oxide nanotube (ZnONT) are investigated by density functional theory (DFT) to search for novel field emitter nano material. The interaction energies of ZnONT/fullerenes complexes gradually increase, with increasing the nanotube lengths which indicate that ZnONTs with higher lengths could improve the stability of the complexes. The band gaps of connected construction of fullerene molecules with ZnONTs gradually reduced by increasing the tube length, but were not sensitive to the tubes diameter. It is found that the ionization potentials of ZnONT/fullerenes complexes mainly decrease compared to that of pristine nanotube in the presence of 0, 0.002, 0.004[Formula: see text]a.u. electric field. The reduction of the ionization potential means the enhancement of the field emission properties of ZnONT/fullerenes complexes compared with simple ZnONT and fullerene molecules. The calculations show that the combination of ZnONT with fullerene molecules indeed improves the field emission by controlling the tube size and electric field strength.

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48

Silant'ev A. V. "Energy Spectrum and Optical Absorption Spectraof endohedral Fullerenes Lu-=SUB=-3-=/SUB=-N\@C-=SUB=-80-=/SUB=- and Y-=SUB=-3-=/SUB=-N\@C-=SUB=-80-=/SUB=-within the Hubbard Model." Physics of the Solid State 64, no. 2 (2022): 287. http://dx.doi.org/10.21883/pss.2022.02.52978.213.

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Anticommutator Green's functions and energy spectra of fullerene C80,endohedral fullerenes Lu3N@C80 and Y3N@C80 with the Ih symmetry groups have been obtained in an analytical form within the Hubbard model and static fluctuation approximation. The energy states have been classified using the methods of group theory, and the allowed transitions in the energy spectra of molecules C80, Lu3N@C80 andY3N@C80 have been determined. On the basis ofthese spectra, an interpretation of experimentally observed opticalabsorption bands endohedral fullerenes Lu3N@C80 andY3N@C80. Keywords: Hubbard model, Green's functions, energy spectrum,nanosystems, fullerene C80, endohedral fullerene Lu3N@C80, endohedral fullerene Y3N@C80.\

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García-Hernández, D. A. "Diffuse Interstellar Bands in (Proto-) Fullerene-Rich Environments." Proceedings of the International Astronomical Union 9, S297 (May 2013): 208–12. http://dx.doi.org/10.1017/s174392131301586x.

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AbstractThe recent infrared detection of fullerenes (C60 and C70) in Planetary Nebulae (PNe) and R Coronae Borealis (RCB) stars offers a beautiful opportunity for studying the diffuse interstellar bands (DIBs) in sources where fullerenes are abundant. Here we present for the first time a detailed inspection of the optical spectra of the hot RCB star DY Cen and two fullerene PNe (Tc 1 and M 1-20), which permits us to directly explore the fullerenes - DIB connection. The DIB spectrum of DY Cen (García-Hernández et al. 2012a) is remarkably different from that in fullerene PNe (García-Hernández & Díaz-Luis 2013). In particular, Tc 1 displays unusually strong 4428 Å and 6309 Å DIBs, which are normal (or not seen) in DY Cen. On the other hand, DY Cen displays an unusually strong 6284 Å DIB that is found to be normal in fullerene PNe. We also report the detection of new broad and unidentified features centered at 4000 Å and 6525 Å in DY Cen and Tc 1, respectively. We suggest that the new 4000 Å band seen in DY Cen may be related to the circumstellar proto-fullerenes seen at infrared wavelengths (García-Hernández et al. 2012a). However, the intense 4428 Å DIB (probably also the 6309 Å DIB and the new 6525 Å band) may be related to the presence of larger fullerenes (e.g., C80, C240, C320, and C540) and buckyonions (multishell fullerenes such as C60@C240 and C60@C240@C540) in the circumstellar envelope of Tc 1 (García-Hernández & Díaz-Luis 2013).

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Akhanova, Nazym Yerlanovna, Dmitry Viktorovich Shchur, Anatoly Petrovich Pomytkin, Alexander Dmitrievich Zolotarenko, Anatoly Dmitrievich Zolotarenko, Natalia Afanasievna Gavrylyuk, Marzhan Ualkhanova, Wang Bo, and Ding Ang. "Gadolinium Endofullerenes." Journal of Nanoscience and Nanotechnology 21, no. 4 (April 1, 2021): 2435–45. http://dx.doi.org/10.1166/jnn.2021.18970.

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Fullerenes—A new combining atoms of carbon atoms into the molecule, which can serve as the parent and precursor of a whole class advanced organic compounds. Unsolved problems associated with a correct understanding of the structure, transformation, and behavior of the fullerene C60 molecule, make it impossible to interpret correctly many of its physicochemical properties. Fullerenes are a new compounds of carbon atoms into a molecule that can serve as the parent and precursor of the whole class of the newest organic compounds. Unresolved problems connected with correct understanding of structure, transformation and behavior of fullerene molecule C60, do not allow to interpret many of its physico-chemical properties correctly. Since the discovery of fullerenes and the subsequent study of their properties, the interaction of fullerenes with metals is of fundamental interest. C60-building block (molecule), is similar to the atom, which can be used to create new materials. It has its physical and chemical properties, which a separate atom can't exhibit. First of all it concerns the fact that this molecule, unlike all molecules known up to the present time, has its own surface. The presence of the surface allows the fullerene molecule to behave as a molecule and as a solid nanoparticle. The dualism of the fullerene molecule allows it, unlike other carbon allotropic forms, to dissolve in various liquid mediums. The presence of the surface allows fullerene to enclose in its volume separate atoms and molecules. After the initial detection of fullerenes, multiple attempts are made to obtain, distinguish and characterize fullerenes containing metal atoms in their volume. In the present work the research of the products formed in joint arc evaporation of graphite and gadolinium is carried out. The products formed on the cathode and on the reactor walls are investigated. On the example of gadolinium-containing endofullerenes the conditions of formation of nanoproducts in plasma conditions, in solutions and at their crystallization are discussed.

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Journal articles on the topic 'Fullerenes'

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