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New fullerene derivatives keep attracting attention of chemists due to their possible applications. Fullerene adducts with saturated polycyclic hydrocarbons represent one of the promising classes of fullerene compounds but still have rare examples. To enhance molecular diversity of fullerene derivatives in this direction, we have synthesized the representatives of C60–bicyclo[2.2.1]heptanes. For this purpose, we first produced the unsubstituted organic hydrazones from various bicyclo[2.2.1]heptane derivatives and then used the organic precursors in the reactions with C60. New homofullerenes and methanofullerenes with one bicyclo[2.2.1]heptane fragment have been obtained under metal-complex catalysis conditions at the fullerene C60:hydrazone molar ratio equal to 1:1.5. If fullerene C60:hydrazone ratio was 1:10, homofullerenes with six bicyclo[2.2.1]heptane fragments were synthesized, which can be isomerized into methanofullerenes when boiling in o-dichlorobenzene. [ABSTRACT FROM AUTHOR]

This study aims to employ the deconvolution method to investigate the thermal oxidation kinetics of fullerene C60 under non-isothermal conditions where STA (TGA-DSC) with various heating rates was used. Results revealed that the oxidation rate curves consisting of two overlapped peaks are composed of three steps deconvoluted by the Frazer-Suzuki function. Afterward, the kinetic analyses were conducted for each step to determine kinetic parameters. The kinetic model F1 (first-order reaction; g(α) = −ln(1-α)) was identified for steps (I) and (II) with E ≈ 115 and 108 kJ mol−1 and lnA = 12.2, and 11.4 min−1, respectively, and the model R3 (contracting sphere model; g (α) = 1-(1-α)1/3) was determined as the rate-controlling mechanism of step (III), with E ≈ 122 kJ mol−1 and lnA = 13.8 min−1. Electron microscopes like FESEM and TEM were employed to confirm the models obtained for the oxidation process. The results obtained in the case of fullerene C60, with presented thermal oxidation kinetic analyses based on the deconvolution method, indicate that this method can be regarded as a very valuable technique for studying thermal stabilities and complex oxidation kinetics of solid nanomaterials. [ABSTRACT FROM AUTHOR]

In this work, two thin hybrid composites based on organic-like fullerenes (bucky balls C60) and inorganic compounds of lithium cobalt oxide (LiCoO2) were prepared. The composites were synthesized by a combined method of ion sputtering and evaporation. The prepared samples were sandwiched between 2 gold electrodes and subjected to charging at an applied small voltage. After each charging process, the samples were analyzed using two appropriate methods—the surface morphology was monitored using AFM (Atomic Force Microscopy), and lithium depth concentration profiles were measured using NDP (Neutron Depth Profiling). The results of the measurements showed that both types of composite experienced significant changes both in the surface morphology and especially in the depth distribution of lithium. The test confirmed the expectation that the unusual hybrid combination of organic and inorganic phases is electrochemically active and exhibits characteristics of Li battery behavior. [ABSTRACT FROM AUTHOR]

Fullerene molecules have been intensively studied over the past few decades due to their unique chemical and physical properties, which have great potential in a wide range of applications. In this article, the formation and aging of C60 colloids in the xylene/ethanol system is considered. The peculiarities of these processes are studied by the methods of refractometry, optical absorption, Raman spectroscopy and dynamic light scattering (DLS). It has been experimentally established that the formation of colloidal particles in a C60/xylene/ethanol mixture depends on the volume content of the components and the storage time of the solution. The time required to achieve stability of self-organization of solute molecules in a C60/xylene/ethanol mixture is discussed. [ABSTRACT FROM AUTHOR]

A comparative study of the temperature stability of a full-formula motor oil, Mobil Ultra SAE 10W-40, doped with two carbon nanoadditives (nanotubes and fullerenes) is presented. The optimum concentrations of the compared nanoadditives in terms of friction coefficients, as well as the optimum concentrations in terms of the amount of heat released during friction, have been preliminarily established. It was found that doping the studied oil with fullerene increases the critical temperature by 10–15°C, and alloying this oil with carbon nanotubes increases the critical temperature by 20–25°C. [ABSTRACT FROM AUTHOR]

The first experience of virtual free-radical polymerization of a set of vinyl monomers within the framework of the digital twins (DTs) concept (Polymers 2023, 15, 2999) is extended to methyl methacrylate, copolymerized with small additives of stable radicals such as fullerene C60 and TEMPO. A set of elementary reactions, covering the initial stage of the polymerization, is considered. The calculations, encompassing about 30 DTs, were carried out using a semi-empirical version of the unrestricted two-determinant Hartree-Fock approximation. The main energy and spin-density parameters of the ground state of DTs are determined. The barrier profiles of the decomposition of three DTs were calculated laying the foundation for determining the activation energy of the studied processes. The decisive role of spins in the formation of transition states is confirmed. A drastic difference in the copolymerization with fullerene C60 and TEMPO is established. The obtained virtual kinetic data are in a full consent with experimental reality. [ABSTRACT FROM AUTHOR]

Among C60's diverse functionalities, its potential application in CO2 sequestration has gained increasing interest. However, the processes involved are sensitive to the molecule's electronic structure, aspects of which remain debated and require greater precision. To address this, we performed structural optimization of fullerene C60 using the QM MP2/6–31G* method. The nonplanarity of the optimized icosahedron is characterized by two types of dihedral angles: 138° and 143°. The 120 dihedrals of 138° occur between two hexagons intersecting at C–C bonds of 1.42 Å, while the 60 dihedrals of 143° are observed between hexagons and pentagons at C–C bonds of 1.47 Å. NBO analysis reveals less pyramidal sp1.78 hybridization for carbons at the 1.42 Å bonds and more pyramidal sp2.13 hybridization for the 1.47 Å bonds. Electrostatic potential charges range from −0.04 a.u. to 0.04 a.u. on the carbon atoms. Second-order perturbation analysis indicates that delocalization interactions in the C–C bonds of 1.42 Å (143.70 kcal/mol) and 1.47 Å (34.98 kcal/mol) are 22% and 38% higher, respectively, than those in benzene. MP2/Def2SVP calculations yield a correlation energy of 13.49 kcal/mol per electron for C60, slightly higher than the 11.68 kcal/mol for benzene. However, the results from HOMO-LUMO calculations should be interpreted with caution. This study may assist in the rational design of fullerene C60 derivatives for CO2 reduction systems. [ABSTRACT FROM AUTHOR]

Featured Application: Use of renewable energies with nanotechnology. Installation of flat solar collectors (FSCs) has been increasing due to the zero cost of renewable energy. However, the performance of this equipment is limited by the area, the material and the thermophysical properties of the working fluid. To improve the properties of the fluid, metal and metal oxide nanoparticles have mainly been used. This paper presents the performance assessment of the FSCs using simple and hybrid carbon nanofluids of low thermal capacity. Energy and mass balance modeling was performed for this study. A parametric analysis was conducted to examine the impact of key variables on the performance of the solar collectors using simple graphite and fullerene nanofluids, as well as hybrid metal–oxide–carbon nanofluids. From the results of heat transfer in FSCs, using graphite and fullerene nanofluids, it can be concluded that adding these nanoparticles improves the convection coefficient by 40% and 30%, respectively, with 10% nanoparticles. The graphite and fullerene nanoparticles can enhance the efficiency of FSCs by 2% and 1.5% more than base fluid. As the decrease in efficiency using fullerene with magnesium oxide is less than 0.2%, fullerene hybrid nanofluids could still be used in FSCs. [ABSTRACT FROM AUTHOR]

Currently, there exists conflicting data regarding the biological activity of unmodified fullerene C60. Various sources report its toxicity, geroprotective activity, and potential interaction with DNA. Contradictory findings regarding the toxicity of C60 may arise from the use of toxic solvents, as well as the influence of bioavailability and bioactivity on the preparation conditions of C60 suspensions. Furthermore, the microbiota of experimental animals can impact geroprotective activity results by releasing surfactants that facilitate substance penetration through the cell membrane. In this study, we selected conditions for solubilizing fullerene C60 in a solution of surfactin, a surfactant of bacterial origin, as well as in a 2% aqueous solution of TWEEN 80, employing ultrasound. Through bioluminescent analysis using lux biosensors in Escherichia coli MG1655, we observed that C60 in surfactin reduced induced genotoxic and oxidative stress. Given that surfactin enhances membrane permeability to fullerene C60, suspensions of fullerene in designated concentrations of surfactin can be regarded as a DNA protector and antioxidant, warranting further investigation as a promising component of novel drugs. [ABSTRACT FROM AUTHOR]

Fullerene C60 exhibits potent antioxidant anti-inflammatory activities as well as anticancer activities. In this study using 60 Wistar albino female rats (n = 60, 8 weeks old), they rats were divided into 4 groups, including 15 rats each. The groups were arranged as follows: (i) Control Group: Group fed with standard diet; (ii) C60 Group: C60 (1.7 mg/kg bw, oral gavage); (iii) DMBA (7,12-dimethylbenz[a]anthracene) Group: DMBA (45 mg/kg bw, oral gavage); (iv) C60 and DMBA Group: C60 (1.7 mg/kg bw, oral gavage) and DMBA (45 mg/kg bw, oral gavage) group. DMBA increased the malondialdehyde levels in muscle tissue, while decreasing GSH and CAT levels; however, treatment with fullerene C60 reversed these effects. In addition, the oral administration of fullerene C60 increased caspase-3 and Nrf-2 protein expression and significantly decreased Bcl-2, NF-κB, TNF-α, COX-2 and p38α (MAPK) protein expression in C60 + DMBA compared to the DMBA group. Moreover, histopathological imaging revealed that the oral administration of fullerene C60 decreases inflammatory cells, edema formation, and hydropic degeneration in the muscles. Taken together, the results of the present study indicated that fullerene C60 nanoparticle provides effective protection by preventing muscle tissue damage. [ABSTRACT FROM AUTHOR]

Background. Fullerenes, one of the allotropic forms of carbon, are the focus of intensive research in nanobio­technology. Due to their unique physicochemical properties, there is growing interest in using them to enhance plant productivity and provide protection against various stresses. However, data on the effects of fullerenes on different plants are often contradictory. Objective. To investigate the effect of colloidal water-soluble fullerene C60 on various stages of tomato deve­lopment. Methods. The study examined the influence of fullerene C60 (0–50 µg/ml) on the seed germination of the Money Maker cv. and the growth and development of seedlings and adult plants. For this purpose, morphophysiological parameters such as shoot and root length, number of lateral and adventitious roots, fresh weight, accumulation of photosynthetic pigments, and nitric oxide (II) were assessed. Results. Both positive and some phytotoxic effects of fullerene C60 on tomatoes were observed. Specifically, inhibition of seedling growth and a decrease in chlorophyll b and carotenoid content in adult plants were noted. Positive effects included an increased seed germination rate, higher fresh weight, greater length and number of adventitious roots in tomatoes grown in the presence of fullerene C60, and a higher nitric oxide (II) content in adult plants, which may contribute to enhanced stress resistance. Conclusions. Fullerene C60 at a concentration of 25 μg/ml has a predominantly positive effect on tomato development and may be considered a promising nanomaterial for plant biotechnology.

Two BODIPY‐C60‐peptide assemblies were synthesized by CuAAC reactions of BODIPY‐C60 dyads and a helical peptide functionalized with a terminal alkyne group and an azide group, respectively. The helical peptide within these assemblies was functionalized at its other end by a disulfide group, allowing formation of self‐assembled monolayers (SAMs) on gold surfaces. Characterizations of these SAMs, as well as those of reference molecules (BODIPY‐C60‐alkyl, C60‐peptide and BODIPY‐peptide), were carried out by PM‐IRRAS and cyclic voltammetry. BODIPY‐C60‐peptide SAMs are more densely packed than BODIPY‐C60‐alkyl and BODIPY‐peptide based SAMs. These findings were attributed to the rigid peptide helical conformation along with peptide‐peptide and C60‐C60 interactions within the monolayers. However, less dense monolayers were obtained with the target assemblies compared to the C60‐peptide, as the BODIPY entity likely disrupts organization within the monolayers. Finally, electron transfer kinetics measurements by ultra‐fast electrochemistry experiments demonstrated that the helical peptide is a better electron mediator in comparison to alkyl chains. This property was exploited along with those of the BODIPY‐C60 dyads in a photo‐current generation experiment by converting the resulting excited and/or charge separated states from photo‐illumination of the dyad into electrical energy. [ABSTRACT FROM AUTHOR]

The existence of the N→C dative bonds in the complexes between N-containing molecules and fullerenes have been verified both theoretically and experimentally. However, finding stable N→C dative bonds is still a highly challenging task. In this work, we investigated computationally the N→C dative bonds in the complexes formed by fullerene C60 with 1,2,5-chalcogenadiazoles, 2,1,3-benzochalcogenadiazoles, and 1,2,4,5-chalcogenatriazoles, respectively. It was found that the N→C dative bonds are formed along with the formation of the N–Ch···C (Ch = S, Se, Te) chalcogen bonds. In the gas phase, from S-containing complexes through Se-containing complexes to Te-containing complexes, the intrinsic interaction energies become more and more negative, which indicates that the N–Ch···C chalcogen bonds can facilitate the formation of the N→C dative bonds. The intrinsic interaction energies are compensated by the large deformation energy of fullerene C60. The total interaction energies of Te-containing complexes are negative, while both total interaction energies of the S-containing complexes and Se-containing complexes are positive. This means that the N→C dative bonds in the Te-containing complexes are more easily observed in experiments in comparison with those in the S-containing complexes and Se-containing complexes. This study provides a new theoretical perspective on the experimental observation of the N→C dative bonds in complexes involving fullerenes. Further, the formation of stable N→C dative bonds in the complexes involving fullerenes can significantly change the properties of fullerenes, which will greatly simulate and expand the application range of fullerenes. [ABSTRACT FROM AUTHOR]

Purpose: This paper aims to solve the problems molybdenum disulfide (MoS2) nanosheets suffer from inadequate dispersion stability and form a weak lubricating film on the friction surface, which severely limits their application as lubricant additives. Design/methodology/approach: MoS2/C60 nanocomposites were prepared by synthesizing molybdenum disulfide (MoS2) nanosheets on the surface of hydrochloric acid-activated fullerenes (C60) by in situ hydrothermal method. The composition, structure and morphology of MoS2/C60 nanocomposites were characterized. Through the high-frequency reciprocating tribology test, its potential as a lubricant additive was evaluated. Findings: MoS2/C60 nanocomposites that were prepared showed good dispersion in dioctyl sebacate (DOS). When 0.5 Wt.% MoS2/C60 was added, the friction reduction performance and wear resistance improved by 54.5% and 62.7%, respectively. Originality/value: MoS2/C60 composite nanoparticles were prepared by in-situ formation of MoS2 nanosheets on the surface of C60 activated by HCl through hydrothermal method and were used as potential lubricating oil additives. Peer review: The peer review history for this article is available at: https://publons.com/publon/10.1108/ILT-10-2023-0321/ [ABSTRACT FROM AUTHOR]

In this article, a comprehensive methodology has been developed to study the lubricity of oils with solid micro/nanoadditives, including mathematical models that allow estimating the temperature during shear and variable speed in the layer. The dynamic temperature gradient across the thickness, the variable thickness, the friction moment, and the temperature are calculated. [ABSTRACT FROM AUTHOR]

Results are given for a kinetic study of the synthesis of a new fullerene derivative containing a diterpene fragment obtained using HPLC and subsequent mathematical modelling. Kinetic and activation parameters were found for the cyclopropanation of fullerene using the Bingel procedure and a reaction mechanism was proposed. The optimal synthesis conditions were found to entail a slight excess of a chlorine‑containing cyclopropanation agent and carrying out the reaction at room temperature. [ABSTRACT FROM AUTHOR]

A method has been developed for the synthesis of new fused 1,4-benzoxazine monoadducts of fullerene C60 by the reaction with 2-aminophenols (2-aminophenol, 2-amino-4-methylphenol, 3-amino-[1,1′-bi-phenyl]-4-ol) in the presence of LiOH and Pb(OAc)4. A probable reaction mechanism has been proposed. [ABSTRACT FROM AUTHOR]

In order to maximally reduce the toxicity of fullerenol (the first derivative of C60, FD-C60), and increase its biomedical efficiency, the second derivative SD-C60 (3HFWC, Hyper-Harmonized Hydroxylated Fullerene Water Complex) was created. Several different methods were applied in the comparative characterization of FD-C60 and SD-C60 with the same OH groups in their core. FD-C60 as an individual structure was about 1.3 nm in size, while SD-C60 as an individual structure was 10–30 nm in size. Based on ten physicochemical methods and techniques, FD-C60 and SD-C60 were found to be two different substances in terms of size, structure, and physicochemical properties; FD-C60, at 100 °C, had endothermic characteristics, while SD-C60, at 133 °C, had exothermic characteristics; FD-C60 did not have water layers, while SD-C60 had water layers; the zeta potential of FD-C60 was −25.85 mV, while it was −43.29 mV for SD-C60. SD-C60 is a promising substance for use in cosmetics and pharmaceuticals. [ABSTRACT FROM AUTHOR]

The cost of treatment of antibiotic-resistant pathogens is on the level of tens of billions of dollars at the moment. It is of special interest to reduce or solve this problem using antimicrobial coatings, especially in hospitals or other healthcare facilities. The bacteria can transfer from medical staff or contaminated surfaces to patients. In this paper, we focused our attention on the antibacterial and antibiofouling activities of two types of photodynamic polyurethane composite films doped with carbon polymerized dots (CPDs) and fullerene C60. Detailed atomic force, electrostatic force and viscoelastic microscopy revealed topology, nanoelectrical and nanomechanical properties of used fillers and composites. A relationship between the electronic structure of the nanocarbon fillers and the antibacterial and antibiofouling activities of the composites was established. Thorough spectroscopic analysis of reactive oxygen species (ROS) generation was conducted for both composite films, and it was found that both of them were potent antibacterial agents against nosocomial bacteria (Klebsiela pneumoniae, Proteus mirabilis, Salmonela enterica, Enterococcus faecalis, Enterococcus epidermis and Pseudomonas aeruginosa). Antibiofouling testing of composite films indicated that the CPDs/PU composite films eradicated almost completely the biofilms of Pseudomonas aeruginosa and Staphylococcus aureus and about 50% of Escherichia coli biofilms. [ABSTRACT FROM AUTHOR]

Installation of flat solar collectors (FSCs) has been increasing due to the zero cost of renewable energy. However, the performance of this equipment is limited by the area, the material and the thermophysical properties of the working fluid. To improve the properties of the fluid, metal and metal oxide nanoparticles have mainly been used. This paper presents the performance assessment of the FSCs using simple and hybrid carbon nanofluids of low thermal capacity. Energy and mass balance modeling was performed for this study. A parametric analysis was conducted to examine the impact of key variables on the performance of the solar collectors using simple graphite and fullerene nanofluids, as well as hybrid metal–oxide–carbon nanofluids. From the results of heat transfer in FSCs, using graphite and fullerene nanofluids, it can be concluded that adding these nanoparticles improves the convection coefficient by 40% and 30%, respectively, with 10% nanoparticles. The graphite and fullerene nanoparticles can enhance the efficiency of FSCs by 2% and 1.5% more than base fluid. As the decrease in efficiency using fullerene with magnesium oxide is less than 0.2%, fullerene hybrid nanofluids could still be used in FSCs.

Among C60’s diverse functionalities, its potential application in CO2 sequestration has gained increasing interest. However, the processes involved are sensitive to the molecule’s electronic structure, aspects of which remain debated and require greater precision. To address this, we performed structural optimization of fullerene C60 using the QM MP2/6–31G* method. The nonplanarity of the optimized icosahedron is characterized by two types of dihedral angles: 138° and 143°. The 120 dihedrals of 138° occur between two hexagons intersecting at C–C bonds of 1.42 Å, while the 60 dihedrals of 143° are observed between hexagons and pentagons at C–C bonds of 1.47 Å. NBO analysis reveals less pyramidal sp1.78 hybridization for carbons at the 1.42 Å bonds and more pyramidal sp2.13 hybridization for the 1.47 Å bonds. Electrostatic potential charges range from −0.04 a.u. to 0.04 a.u. on the carbon atoms. Second-order perturbation analysis indicates that delocalization interactions in the C–C bonds of 1.42 Å (143.70 kcal/mol) and 1.47 Å (34.98 kcal/mol) are 22% and 38% higher, respectively, than those in benzene. MP2/Def2SVP calculations yield a correlation energy of 13.49 kcal/mol per electron for C60, slightly higher than the 11.68 kcal/mol for benzene. However, the results from HOMO-LUMO calculations should be interpreted with caution. This study may assist in the rational design of fullerene C60 derivatives for CO2 reduction systems.

The spin theory of fullerenes is taken as a basis concept to virtually exhibit a peculiar role of C60 fullerene in the free radical polymerization of vinyl monomers. Virtual reaction solutions are filled with the initial ingredients (monomers, free radicals, and C60 fullerene) as well as with the final products of a set of elementary reactions, which occurred in the course of the polymerization. The above objects, converted to the rank of digital twins, are considered simultaneously under the same conditions and at the same level of the theory. In terms of the polymerization passports of the reaction solutions, a complete virtual picture of the processes considered is presented. [ABSTRACT FROM AUTHOR]

This study aimed to investigate the effects of fullerene C60 on rat liver tissue in a liver ischemia reperfusion injury (IRI) model under sevoflurane anesthesia to evaluate the ability of nanoparticles to prevent hepatic complications. A total of 36 adult female Wistar Albino rats were divided into six groups, each containing six groups as follows: sham group (Group S), fullerene C60 group (Group FC60), ischemia-reperfusion group (Group IR), ischemia-reperfusion-sevoflurane group (Group IR-Sevo), ischemia-reperfusion-fullerene C60 group (Group IR-FC60), and ischemiareperfusion- fullerene C60-sevoflurane group (Group IR-FC60-Sevo). Fullerene C60 100 mg/kg was administered to IR-FC60 and IR-FC60-Sevo groups. In the IR group, 2 h of ischemia and 2 h of reperfusion were performed. At the end of reperfusion, liver tissues were removed for biochemical assays and histopathological examinations. Hepatocyte degeneration, sinusoidal dilatation, prenecrotic cells, and mononuclear cell infiltration in the parenchyma were significantly higher in Group IR than in all other groups. Thiobarbituric acid reactive substances levels were significantly higher in Group IR than in the other groups, and the lowest thiobarbituric acid reactive substances level was in Group IR-FC60 than in the other groups, except for Groups S and FC60. Catalase and Glutathione-S-transferase activities were reduced in the IR group compared to all other groups. Fullerene C60 had protective effects against liver IR injury in rats under sevoflurane anesthesia. The use of fullerene C60 could reduce the adverse effects of IRI and the associated costs of liver transplantation surgery. [ABSTRACT FROM AUTHOR]

To enhance the efficiency of automotive engines, a comprehensive understanding of friction generation within their components is paramount. Moreover, extensive global research efforts have been dedicated to nanoparticles, leading to the emergence of nanolubricants. In this study, an investigation was conducted focused on the piston ring–cylinder tribological interaction using fullerenes as additives. This is a very important issue since the friction forces can be significantly reduced. In order to solve this problem, a 2D CFD approach was implemented, taking into account a roughness model and temperature variations. The obtained results clearly show a friction reduction using fullerenes as additives compared to both synthetic and monograde oils. Furthermore, using fullerene oils, the performance of the compression piston ring system is improved due to friction reduction and the change of the temperature distribution. This study is beyond SOTA, since there is a limited contribution in the field of such nanolubricants in compression piston ring system. It is evident that the friction force is reduced by 42% compared to synthetic oils, showing a perspective on more tribologically efficient internal combustion engines. [ABSTRACT FROM AUTHOR]

The human body contains 60–70% water, depending on age. As a body fluid, it is not only a medium in which physical and chemical processes take place, but it is also one of the active mediators. Water is the richest substance with non-covalent hydrogen bonds. Water molecules, by themselves (in vacuum), are diamagnetic but when organized into clusters, they become diamagnetic or paramagnetic. Also, biomolecules (DNA, collagen, clathrin, and other proteins) have non-covalent hydrogen bonds in their structure. The interaction, as well as signal transmission, between water and biomolecules is achieved through the vibrations of covalent and non-covalent hydrogen bonds, which determine the state and dynamics of conformational changes in biomolecules. Disruptive conformational changes in biomolecules, cells, and tissues lead to their dysfunctionality, so they are a frequent cause of many disorders and diseases. For example, the rearrangement of hydrogen bonding due to mitochondrial disease mutation in cytochrome bc1 disturbs heme bH redox potential and spin state. In order to prevent and repair the dysfunctional conformational changes, a liquid substance was developed based on the second derivative of the C60 molecule (SD-C60), which has classical and quantum properties. The characterization of SD-C60 by UV-VIS-NIR, FTIR, TEM, and AFM/MFM was performed and it is shown that SD-C60 water layers generate vibrations with near-zero phase dispersion which are transmitted through Fibonacci's water chains to biomolecules. In comparison with previously published SD-C60 derivate (3HFWC, size until 10 nm, and 1–5 water layers), the improved formulation (3HFWC-W, size 10–25 nm, and 6–9 water layers) showed multiplied cytotoxic activity against melanoma cell lines of different aggressiveness. Apart from this, the mode of action was preserved and based on an induction of senescence rather than cell death. Importantly, high selectivity towards malignant phenotypes was detected. Observed effects can be ascribed to a machinery of hydrogen bonds, which are generated in SD-C60 and transmitted through water to biomolecules. This approach may open a new field in science and healthcare—a "water-based nanomedicine". [ABSTRACT FROM AUTHOR]

The results of this experiment showed the effect of hybrid nanostructures (HNS) based on amino acid derivatives of fullerene C60 and derivatives of vitamin B12 (T1, T2) on the growth of wheat (Triticum aestivum L.) seeds in laboratory. Seeds treated with distilled water were used as the control (T0). Seeds treated by complexes T1–T3 pump spraying at the concentration of 10−5 M increased germination to 10–14%, while shoots height increased to 21–34% compared to the control. Treatment with these complexes enabled plants to survive water stress. The relative water content RWC in these samples was 11–21% higher than in the control. The results obtained demonstrate the possibility of using these hybrid compounds to achieve better seedlings and increase the drought resistance of wheat. [ABSTRACT FROM AUTHOR]

The existence of the N→C dative bonds in the complexes between N-containing molecules and fullerenes have been verified both theoretically and experimentally. However, finding stable N→C dative bonds is still a highly challenging task. In this work, we investigated computationally the N→C dative bonds in the complexes formed by fullerene C60 with 1,2,5-chalcogenadiazoles, 2,1,3-benzochalcogenadiazoles, and 1,2,4,5-chalcogenatriazoles, respectively. It was found that the N→C dative bonds are formed along with the formation of the N–Ch···C (Ch = S, Se, Te) chalcogen bonds. In the gas phase, from S-containing complexes through Se-containing complexes to Te-containing complexes, the intrinsic interaction energies become more and more negative, which indicates that the N–Ch···C chalcogen bonds can facilitate the formation of the N→C dative bonds. The intrinsic interaction energies are compensated by the large deformation energy of fullerene C60. The total interaction energies of Te-containing complexes are negative, while both total interaction energies of the S-containing complexes and Se-containing complexes are positive. This means that the N→C dative bonds in the Te-containing complexes are more easily observed in experiments in comparison with those in the S-containing complexes and Se-containing complexes. This study provides a new theoretical perspective on the experimental observation of the N→C dative bonds in complexes involving fullerenes. Further, the formation of stable N→C dative bonds in the complexes involving fullerenes can significantly change the properties of fullerenes, which will greatly simulate and expand the application range of fullerenes.

ABSTRACTThis study aimed to investigate the effects of fullerene C60 on rat liver tissue in a liver ischemia reperfusion injury (IRI) model under sevoflurane anesthesia to evaluate the ability of nanoparticles to prevent hepatic complications. A total of 36 adult female Wistar Albino rats were divided into six groups, each containing six groups as follows: sham group (Group S), fullerene C60 group (Group FC60), ischemia-reperfusion group (Group IR), ischemia-reperfusion-sevoflurane group (Group IR-Sevo), ischemia-reperfusion-fullerene C60 group (Group IR-FC60), and ischemia-reperfusion-fullerene C60-sevoflurane group (Group IR-FC60-Sevo). Fullerene C60 100 mg/kg was administered to IR-FC60 and IR-FC60-Sevo groups. In the IR group, 2 h of ischemia and 2 h of reperfusion were performed. At the end of reperfusion, liver tissues were removed for biochemical assays and histopathological examinations. Hepatocyte degeneration, sinusoidal dilatation, prenecrotic cells, and mononuclear cell infiltration in the parenchyma were significantly higher in Group IR than in all other groups. Thiobarbituric acid reactive substances levels were significantly higher in Group IR than in the other groups, and the lowest thiobarbituric acid reactive substances level was in Group IR-FC60 than in the other groups, except for Groups S and FC60. Catalase and Glutathione-S-transferase activities were reduced in the IR group compared to all other groups. Fullerene C60 had protective effects against liver IR injury in rats under sevoflurane anesthesia. The use of fullerene C60 could reduce the adverse effects of IRI and the associated costs of liver transplantation surgery.

Fullerene C60 is known to have particularly strong antioxidant ability to protect against oxidative stress-induced dysfunctions and tissue damage. In this study, the preventive effects of C60 were investigated in rats that caused eye tissue damage with 7,12-dimethylbenz[a]anthracene (DMBA). 60 Wistar albino female rats were used in the study. Groups: (i) Control Group: Group fed with standard diet; (ii) C60 Group: Fullerene C60 (1.7 mg/kg bw, oral gavage) given group; (iii) DMBA Group: The group given DMBA (45 mg/kg bw, oral gavage); (iv) C60 + DMBA Group: Fulleren C60 (1.7 mg/kg bw, oral gavage) and DMBA (45 mg/kg bw, oral gavage) group. Each group included 15 female rats and the study continued for 16 weeks. The protein levels were determined by western blotting and the biochemistry parameters were determined with spectrophotometric assays in rat eye tissue homogenates. Compared to the DMBA given group in the eye tissue, a decrease was observed in MDA levels and IL-1α and COX-2 protein expression levels, and an increase in GSH level, CAT activity and caspase-3, HO-1, p53 and Beclin-1 expression levels in the C60 given groups. Our results show that fullerene C60 protects eye tissue from oxidative damage and reduces inflammation via trigging HO-1 expression. [ABSTRACT FROM AUTHOR]

The objective of this investigation was to investigate the protective effects of fullerene C60 nanoparticle against pancreatic damage experimentally induced by 7,12-dimethylbenz [a] anthracene (DMBA) in female rats. Fullerene C60 nanoparticle was administered to rats 5 times a week by oral gavage (o.g) at 1.7 mg/kg bw 7 days after DMBA administration. 60 Wistar albino female rats divided to four groups; Groups: (1) Control group: Fed with standard diet; (2) Fullerene C60 group: Fullerene C60 (1.7 mg/kg bw); (3) DMBA group: DMBA (45 mg/kg bw); (4) Fullerene C60 + DMBA group: Fullerene C60 (1.7 mg/kg bw) and DMBA (45 mg/kg bw). Lipid peroxidation malondialdehyde (MDA), catalase activity (CAT) and glutathione (GSH) levels in pancreatic tissue were determined by spectrophotometer. Protein expression levels of p53, HO-1, p38-α (MAPK), Nrf-2, NF-κB and COX-2 in pancreatic tissue were determined by western blotting technique. In our findings, compared to the group given DMBA, MDA levels and p38-α, NF-κB and COX-2 levels decreased, CAT activity, GSH level, total protein density and p53, HO-1, Nrf-2 levels in the groups given fullerene C60 nanoparticle an increase in expression levels was observed. Our results showed that fullerene C60 nanoparticle may be more beneficial in preventing pancreatic damage. Graphical Abstract [ABSTRACT FROM AUTHOR]

Carbon nanoallotropes, namely, graphene, fullerene and their derivatives, single- and multiwalled nanotubes, cause the great interest to researchers and their using not only in industry, medicine, pharmacy, but also in agriculture. There is a large number of literary data on the effect of carbon nanomaterials against the plant organism, not only as xenobiotics, but their use in crop production, namely, as: growth and development regulators; substances to increase the resistance of various crops to abiotic stress; targeted means for the delivery of fertilizers, plant protection means; stimulators of the accumulation of pharmaceutically active compounds. Research data are contradictory, as they differ in terms of the type of plant and the stage of its ontogenesis, the peculiarities of its cultivation, the type of nanoallotropes of carbon, the dose, method and duration of exposure, the size and purity of nanoparticles. At high concentrations, carbon nanoparticles cause toxic effects, which are accompanied by an impact on the processes of plant growth and development, inhibition of photosynthetic processes, and the induction of oxidative stress. At the same time, at low and moderate concentrations, carbon nanoparticles mainly stimulate the germination of seeds, the growth and development of vegetative parts of the plant and roots, improve the efficiency of photosynthesis, and contribute to both the protection of the plant from the effects of stressful environmental conditions and the accumulation of pharmaceutically valuable compounds. The presented review summarizes the data of the latest scientific research on the effect of carbon nanoallotropes on the plant organism and the possibility of their use as regulators of stress resistance in the cultivation of agricultural crops. [ABSTRACT FROM AUTHOR]

This article compares machine learning methods and a numerical method of determination of the doped lubricating layer with experimental data. Based on the sweep method, the one-dimensional Fourier heat equation with boundary and initial conditions is solved. As a result of comparing numerical and predictive data with experiments, it can be concluded that machine learning models are better at predicting results compared to numerical data. [ABSTRACT FROM AUTHOR]

The surface plasmon resonance of gold nanoparticles causes visible light absorption and scattering effects that may be used in optical coatings for eliminating blue light emission from display monitors, for blocking UV light, and for decorative applications. This study examines the achievement of functional properties provided by gold nanoparticles in a commercially established C60 fullerene-coated eyewear product. The gold nanoparticles used were sourced from recycling rapid lateral flow tests (LFIA), which use gold nanoparticles as test markers. After the gold's recovery, Ultrasonic Spray Pyrolysis (USP) with freeze-drying was used for the synthesis of new gold nanoparticles, to be used in optical coatings. The gold nanoparticles were examined with SEM, TEM, DLS, zeta potential, BET, and Vis-NIR for characterising their shapes and sizes, as is required for determination of the surface plasmon resonance effect. After applying the newly produced gold nanoparticles with fullerene C60 in a combined coating for eyewear lenses, the absorption and transmission of the lenses were determined for establishing changes in the coating's functionality. The results show that enhancing the fullerene C60 coating with gold nanoparticles improves light absorption and reflectance for blue and UV light further, which may be evaluated as beneficial for the eyewear user, as the reduction in eye strain is increased due to the coating. [ABSTRACT FROM AUTHOR]

The 13C NMR chemical shifts of fullerene C60 exo-derivatives were calculated using quantum chemical hybrid functionals combined with Pople, Dunning correlation-consistent, and def2-TZVP split valence basis sets taking into account the solvent effect (polarizable continuum model). A relationship between theoretical and experimental 13C NMR chemical shifts (CSs) is assessed quantitatively to select a functional/basis set combination. It is found that the CAM-B3LYP/6-31G and M06L/6-31G combinations have the best convergence with experimental data in modeling the 13С NMR CSs of sp3 fullerene carbon atoms in С60 derivatives, whereas X3LYP/6-31G and CAM-B3LYP/6-31G(d) in modeling the 13С NMR CSs of their sp2 fullerene carbon atoms. [ABSTRACT FROM AUTHOR]

Introduction. A vaccine against hepatitis C has not yet been developed. Recombinant proteins and plasmids encoding hepatitis C virus (HCV) proteins, the components of candidate vaccines, induce a weak immune response and require the use of adjuvants. The aim of the work was to study the adjuvant action of an aqueous solution of fullerene C60 during immunization of mice with HCV recombinant protein NS5B (rNS5B) that is an RNA-dependent RNA polymerase, or with NS5B-encoding pcNS5B plasmid. Materials and methods. An aqueous solution of dispersed fullerene (dnC60) was obtained by ultrafiltration. C57BL/6 mice were immunized with rNS5B subcutaneously, pcNS5B intramuscularly mixed with different doses of dnC60 three times, then the humoral and cellular response to HCV was evaluated. Results. Mice immunization with rNS5B in a mixture with dnC60 at doses of 250 g/mouse significantly induced humoral response: a dose-dependent increase in IgG1 antibody titers was 720 times higher than in the absence of fullerene. There was no increase in the cellular response to rNS5B when administered with dnC60. The humoral response to DNA immunization was weak in mice of all groups receiving pcNS5B. The cellular response was suppressed when the plasmid was injected in a mixture with dnC60. Conclusions. Dispersed fullerene dnC60 is a promising adjuvant for increasing the immunostimulating activity of weakly immunogenic proteins including surface and other HCV proteins, important for a protective response. Further research is needed to enhance the ability of dnC60 to boost the cellular immune response to the components of the candidate vaccine.

The permeability of a C60 fullerite in a simple cubic phase for natural gas components is investigated. The classical molecular dynamics methods and the Monte Carlo method are used to study the physical effects appearing in the case where the particles pass through a thin layer of a crystalline fullerite. A discrete model of atom-atom interactions is used to take into account the mutual influence of the elements of the system (fullerenes and penetrating particles). The influence of the incoming particle velocities on the permeability is shown, and a characteristic factor affecting the permeability of the crystalline system is determined. [ABSTRACT FROM AUTHOR]

The influence of nanoparticles of hydrated C60 fullerene and its N-monoamino acid derivatives on the oxidative metabolism and growth of the mycelial biomass of basidiomycetes during their submerged cultivation was studied. It was found that the supplementation of culture media with nanoparticles of the studied compounds at their final concentration range of 10−7 to 10−11 M significantly increased the resulting biomass, while the severity of the effect in this concentration range changed slightly. That prompted the use of nanomolar concentrations of compounds as reasonable. The most pronounced stimulating effect (an increase in biomass of about 240% with respect to control) was observed when culturing Laetiporus sulphureus, the intrinsically high level of oxidative metabolism of which was significantly lowered by the presence of the studied additives. It was shown that the growth-enhancing action of nanoparticles of fullerene C60 and its derivatives could not be attributed to photochemical reactions, particularly fullerene photoexcitation. Fullerene and its derivatives manifest a growth regulatory effect on bio-objects from different kingdoms of the living world (plants and fungi), which is indicative of these compounds' mechanism of action based on a direct impact on fundamental, universal for all living beings, biophysical processes, primarily chain free-radical oxidation. [ABSTRACT FROM AUTHOR]

The objective of this study was to evaluate the effect of fullerene C60 nanoparticles against 7,12-dimethylbenz[a]anthracene (DMBA)-induced lung tissue damage in rats. 60 Wistar albino (8 weeks old) female rats were assigned into four groups: Control Group (C), Fullerene C60, DMBA, and Fullerene C60+DMBA. The rats in the DMBA and Fullerene C60+DMBA groups were administered DMBA (45 mg/kg bw, oral gavage). The rats in Fullerene C60, and Fullerene C60+DMBA groups were administered with Fullerene C60 (1.7 mg/kg bw, oral gavage). Expression levels of cytochrome-C, caspase-3, beclin-1, IL-1α, HO-1 and p53 proteins in lung tissue were determined by western blotting, lipid peroxidation malondialdehyde (MDA) analyzes, glutathione (GSH), glutathione peroxidase (GSH-Px), catalase activity (CAT) and total protein levels were determined by spectrophotometer. In addition, lung tissues were evaluated by histopathologically. Fullerene C60 reduced the increasing of MDA and IL-1α protein expression levels and attenuated histopathological changes in lung. Moreover, fullerene C60 enhanced the protein expression of cytochrome-C, caspase-3, beclin-1, HO-1, and p53, which were decreased in the DMBA group. Fullerene C60 has strong biological activity that it might be an effective approach for lung damage. [ABSTRACT FROM AUTHOR]

The features of hydrogen sorption by a wide range of nanostructures — fullerite C60, carbon nanotubes, graphene structures, nanodispersed carbon, including Pd-containing nanoclusters, ordered silicon-oxide-based nanostructures (the MCM-41 family) and silicon-oxide aerogel — have been reviewed. Special attention is given to the sorption characteristics of carbon nanostructures that have been exposed to various modifying treatments (oxidation, gamma-ray irradiation in gas atmosphere, action of pulsed high frequency gas discharge). Two mechanisms of physical low-temperature sorption of hydrogen have been revealed to predominate in such nanostructures in different temperature intervals. At the lowest temperatures (8–12 K), the sorption can actually proceed without thermal activation: it is realized through the tunnel motion of hydrogen molecules along the nanostructure surfaces. The periodic structure of the potential relief, allowed by the surface frame of carbon and silicon-oxide nanostructures, along the rather low interpit barriers are beneficial for the formation of low-dimensional (including quantum) hydrogen-molecule systems practically without thermally activated diffusion. In such nanostructures, the hydrogen diffusion coefficients are actually independent of temperature at 8–12 K. At higher temperatures (12–295 K), a thermally activated mechanism of hydrogen diffusion prevails. The periodic structure of fullerite C60 contains periodic interstitial cavities, separated by rather low potential barriers. Their sizes are sufficient to accommodate impurity hydrogen molecules and, thus, allow diffusion processes, which can also have a tunnel nature. It is shown that gamma-irradiation and high-frequency gas discharge processing increase markedly the quantity of hydrogen strongly bonded to carbon nanostructures. [ABSTRACT FROM AUTHOR]

The cost of treatment of antibiotic-resistant pathogens is on the level of tens of billions of dollars at the moment. It is of special interest to reduce or solve this problem using antimicrobial coatings, especially in hospitals or other healthcare facilities. The bacteria can transfer from medical staff or contaminated surfaces to patients. In this paper, we focused our attention on the antibacterial and antibiofouling activities of two types of photodynamic polyurethane composite films doped with carbon polymerized dots (CPDs) and fullerene C60. Detailed atomic force, electrostatic force and viscoelastic microscopy revealed topology, nanoelectrical and nanomechanical properties of used fillers and composites. A relationship between the electronic structure of the nanocarbon fillers and the antibacterial and antibiofouling activities of the composites was established. Thorough spectroscopic analysis of reactive oxygen species (ROS) generation was conducted for both composite films, and it was found that both of them were potent antibacterial agents against nosocomial bacteria (Klebsiela pneumoniae, Proteus mirabilis, Salmonela enterica, Enterococcus faecalis, Enterococcus epidermis and Pseudomonas aeruginosa). Antibiofouling testing of composite films indicated that the CPDs/PU composite films eradicated almost completely the biofilms of Pseudomonas aeruginosa and Staphylococcus aureus and about 50% of Escherichia coli biofilms.

In order to maximally reduce the toxicity of fullerenol (the first derivative of C60, FD-C60), and increase its biomedical efficiency, the second derivative SD-C60 (3HFWC, Hyper-Harmonized Hydroxylated Fullerene Water Complex) was created. Several different methods were applied in the comparative characterization of FD-C60 and SD-C60 with the same OH groups in their core. FD-C60 as an individual structure was about 1.3 nm in size, while SD-C60 as an individual structure was 10–30 nm in size. Based on ten physicochemical methods and techniques, FD-C60 and SD-C60 were found to be two different substances in terms of size, structure, and physicochemical properties; FD-C60, at 100 °C, had endothermic characteristics, while SD-C60, at 133 °C, had exothermic characteristics; FD-C60 did not have water layers, while SD-C60 had water layers; the zeta potential of FD-C60 was −25.85 mV, while it was −43.29 mV for SD-C60. SD-C60 is a promising substance for use in cosmetics and pharmaceuticals.

[Display omitted] The dimensional characteristics of nanoparticles of N -mono- substituted amino acid derivatives of fullerene C 60 (AAFDs) in aqueous colloidal solutions, determined by dynamic light scattering (DLS) and small-angle X-ray scattering (SAXS), were compared. The DLS data on the dimensional characteristics of fullerene C 60 and AAFD nanoparticles, obtained at scattering angles of 90° and 173°, are close in values with a correlation coefficient of 0.89, and the SAXS data indicate that AAFDs form ordered structures in solution. Based on the results of DLS and the ability of fullerene and AAFDs to inhibit peroxyl radicals, it can be concluded that varying the concentrations of the studied compounds in the range from 10-7 to 10-3 m does not affect the degree of aggregation of their nanoparticles. [ABSTRACT FROM AUTHOR]

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. [ABSTRACT FROM AUTHOR]

In this study, the impacts of different non-polar organic solvents on nonlinear optical response of fullerene C60 have been investigated. Linear properties of C60 fullerene have been synthesized with two different concentrations of 3% and 6% wt in non-polar organic solvents including toluene and xylene and then characterized using UV–VIS spectroscopy. The band gap of C60 fullerene in non-polar solvents including toluene and xylene has been found to be 2.9 eV, 2.96 eV and 2.86 eV, 2.87 eV for 3% wt and 6% concentrations, respectively. Raman spectrum for solid C60 with 272 cm−1, 430 cm−1, 496 cm−1, 704 cm−1, 772 cm−1, 1422 cm−1, 1467 cm−1, and 1573 cm−1 shifting and scanning transmission electron microscopy (STEM) were recorded for C60 in xylene with the dimension range 100–500 nm. Nonlinear optical responses of C60 fullerene in non-polar organic solvents have also been investigated using fs laser z-scan technique. Real and imaginary parts of third-order nonlinear susceptibility have been investigated and nonlinear absorption coefficient (β), nonlinear refractive index (n 2) and third-order nonlinear optical susceptibility ( χ (3) ) values for the samples have been calculated to be on the orders of 10–10 cm/W, 10–16 cm2/W and 10–13 esu, respectively. Obtained numerical results of these values can be concluded to be promising case for the optical limiters as compatibility with the literature. [ABSTRACT FROM AUTHOR]

Catalytic thermolysis is considered to be an effective process for viscosity reduction, the conversion of high-molecular components of oil (resins and asphaltenes) into light hydrocarbons, and the desulfurization of hydrocarbons. In this paper, we conducted non-catalytic and catalytic thermolysis of a heavy oil sample isolated from the Ashalcha oil field (Tatarstan, Russia) at a temperature of 250 °C. Fullerene C60 nanoparticles were applied to promote selective low-temperature thermolytic reactions in the heavy oil, which increase the depth of heavy oil upgrading and enhance the flow behavior of viscous crude oil. In addition, the influence of water content on the performance of heavy oil thermolysis was evaluated. It was found that water contributes to the cracking of high-molecular components such as resins and asphaltenes. The destruction products lead to the improvement of group and fractional components of crude oil. The results of the experiments showed that the content of asphaltenes after the aquatic thermolysis of the heavy oil sample in the presence of fullerene C60 was reduced by 35% in contrast to the initial crude oil sample. The destructive hydrogenation processes resulted in the irreversible viscosity reduction of the heavy oil sample from 3110 mPa.s to 2081 mPa.s measured at a temperature of 20 °C. Thus, the feasibility of using fullerene C60 as an additive in order to increase the yield of light fractions and reduce viscosity is confirmed. [ABSTRACT FROM AUTHOR]

The present study aimed to investigate the therapeutic effect of fullerene C60 nanoparticle against heart tissue damage caused by 7,12-dimethylbenz [a] anthracene (DMBA) in female rats. Female Wistar albino rats, 8 weeks old (n = 60) weighing around (150 ± 10 g) were used for the study. These rats were divided into 4 groups and each group included 15 rats. Groups: (i) Control Group: Fed with standard diet; (ii) C60 Group: C60 (1.7 mg/kg bw, oral gavage); (iii) DMBA Group: DMBA (45 mg/kg bw, oral gavage); (iv) C60 and DMBA Group: C60 (1.7 mg/kg bw, oral gavage) and DMBA (45 mg/kg bw, oral gavage) group. Malondialdehyde (MDA) analysis, catalase activity (CAT), and glutathione (GSH) in heart tissue were determined by spectrophotometer. In addition, heart tissue DNA damage was investigated. Caspase-3, p53, HO-1, COX-2, and TNF-α protein expression levels in heart tissue were determined by western blotting. As a result, Caspase-3, p53, HO-1 protein expression, GSH levels and CAT activity increased, COX-2, TNF-α protein expression, and MDA levels were significantly decreased in the C60 + DMBA group compared to the DMBA group. Therefore, the fullerene C60 nanoparticle may be a promising and effective therapy for the treatment of heart diseases associated with inflammation. [ABSTRACT FROM AUTHOR]