Search Results (849)

Traumatic skeletal muscle injury is a complex pathology caused by high-energy trauma to muscle tissue. Previously, a positive effect was established when C₆₀ fullerene was administered against the background of muscle ischemia, mechanical muscle injury, and other muscle dysfunctions, which probably protected the muscle tissue from damage caused by oxidative stress. Using tensiometry and biochemical analysis, the biomechanical parameters of skeletal muscle contraction and biochemical indices of the blood of rats 15 days after traumatic injury of the soleus muscle caused by myocyte destruction by compression were studied. The intraperitoneal administration of C₆₀ fullerene aqueous solution (C₆₀FAS) in a daily dose of 1 mg/kg improved its contractile function by 28–40 ± 2% and the values of the investigated biochemical indices of the animals’ blood by 15–34 ± 2% relative to the trauma group. The obtained results indicate the potential ability of C₆₀ fullerenes, as powerful antioxidants, to reduce the development of post-traumatic dysfunction of the soleus muscle. Full article

Confining protons into an enclosed carbon cage is expected to give rise to unique electronic properties for both the inner proton and the outer cage. In this work, we systematically investigated the geometric and electronic structures of cationic X⁺@C₆₀ (X⁺ = H⁺, H₃O⁺, and NH₄⁺), and their corresponding neutral species (X = H₂O, NH₃), by quantum chemical density functional theory calculations. We show that C₆₀ can trap H₂O, NH₃, H₃O⁺ and NH₄⁺ at the cage center and only slightly influence their geometries. The single proton clings to the inner wall of C₆₀, forming a C-H chemical bond. The encapsulated neutral species almost do not change the electronic structure of the C₆₀, while the internal cations have obvious effects. The charge transfer effect from the inner species to the C₆₀ cage was found for all X@C₆₀ (X = H₂O, NH₃) (about 0.0 e), X⁺@C₆₀ (X⁺ = H₃O⁺, NH₄⁺) (about 0.5 e) and H⁺@C₆₀ (about 1.0 e) systems. Encapsulating different forms of protons also regulates the fundamental physico-chemical properties of the hollow C₆₀, such as the HOMO-LUMO gaps, infrared spectra, and electrostatic potential, etc., which are discussed in detail. These findings provide a theoretical insight into protons’ applications, especially in energy. Full article

With the rapid development of lead-based perovskite solar cells, tin-based perovskite solar cells are emerging as a non-toxic alternative. Material engineering has been an effective approach for the fabrication of efficient perovskite solar cells. This paper summarizes the novel materials used in tin-based perovskite solar cells over the past few years and analyzes the roles of various materials in tin-based devices. It is found that self-assembling materials and fullerene derivatives have shown remarkable performance in tin-based perovskite solar cells. Finally, this article discusses design strategies for new materials, providing constructive suggestions for the development of innovative materials in the future. Full article

We study the relationship between the results of two qualitatively different semi-empirical models for photoionization cross sections, ${\sigma }_{n\mathsf{\ell }}$, of neutral atoms (A) and their cations ($A^{+}$) centrally encapsulated inside a fullerene anion, $C_N^q$, where q represents the negative excess charge on the shell. One of the semi-empirical models, broadly employed in previous studies, assumes a uniform excess negative charge distribution over the entire fullerene cage, by analogy with a charged metallic sphere. The other model, presented here, considers the quantum states of the excess electrons on the shell, determined by specific n and ℓ values of their quantum numbers. Remarkably, both models yield similar photoionization cross sections for the encapsulated species. Consequently, we find that the photoionization of the encapsulated atoms or cations inside the $C_N^q$ anion is influenced only slightly by the quantum states of the excess electrons on the fullerene cage. Furthermore, we demonstrate that the influence decreases even further as the size of the fullerene cage increases. All this holds true at least under the assumption that the encapsulated atom or cation is compact, i.e., its electron density remains primarily within itself rather than being drawn into the fullerene shell. This remarkable finding results from Hartree–Fock calculations combined with a popular modeling of the fullerene shell which is simulated by an attractive spherical annular potential. Full article

Nowadays, the development of devices based on organic materials is an interesting research challenge. The performance of such devices is strongly influenced by material selection, material properties, design, and the manufacturing process. Usually, buckminsterfullerene (C60) is employed as electron transport material in organic photovoltaic (OPV) devices due to its high mobility. However, considering its low solubility, there have been many attempts to replace it with more soluble non-fullerene compounds. In this study, bulk heterojunction thin films with various compositions of zinc phthalocyanine (ZnPc), a perylene diimide derivative, or C60 were prepared by matrix-assisted pulsed laser evaporation (MAPLE) technique to assess the influence of C60 replacement on fabricated heterostructure properties. The investigations revealed that the optical features and the electrical parameters of the organic heterostructures based on this perylene diimide derivative used as an organic acceptor were improved. An increase in the J_SC value (4.3 × 10⁻⁴ A/cm²) was obtained for the structures where the perylene diimide derivative acceptor entirely replaced C60 compared to the J_SC value (7.5 × 10⁻⁸ A/cm²) for the heterostructure fabricated only with fullerene. These results are encouraging, demonstrating the potential of non-fullerene compounds as electron transport material in OPV devices. Full article

The hybrid system BiVO₄/g-C₃N₄ is a prospective photocatalyst because of the favorable mutual alignment of the energy bands of both semiconductors. However, the path of the photocatalytic process is still unclear because of contradictory information in the literature on whether the mechanism of charge carrier separation at the BiVO₄/g-C₃N₄ interface is band-to-band or Z-scheme. In this work, we clarified this issue by comparative photocatalytic studies with the use of systems without a mediator and with different kinds of mediators including Au nanoparticles, fullerene derivatives, and the Fe³⁺/Fe²⁺ redox couple. Additionally, the charge transfer dynamics at the BiVO₄/g-C₃N₄ and BiVO₄/mediator/g-C₃N₄ interfaces were investigated by time-resolved photoluminescence (TRPL) measurements, while the influence of the mediator on the surface recombination of the charge carriers was verified by intensity-modulated photocurrent spectroscopy (IMPS). We proved that the charge carrier separation at the BiVO₄/g-C₃N₄ interface occurs according to the mechanism typical for a heterojunction of type II, while the incorporation of the mediator between BiVO₄ and g-C₃N₄ leads to the Z-scheme mechanism. Moreover, a very strong synergetic effect on caffeine (CAF) degradation rate was found for the system BiVO₄/Au/g-C₃N₄ in the presence of Fe³⁺ ions in the CAF solution. Full article

Fullerene is a cosmic material with a buckyball-like structure comprising 60 carbon atoms. It has attracted significant interest because of its outstanding antioxidant, antiviral, and antibacterial properties. Natural fullerene (NC60) in shungite meets the demand of biomedical fields to scavenge reactive oxygen species in many diseases. However, its hydrophobicity and poor solubility in water hinder its use as an antioxidant. In this study, highly water-dispersed and stable Pluronic-coated natural fullerene nanoaggregates (NC60/Plu) were prepared from various Pluronic polymers. The water dispersity and stability of NC60 were compared and optimized based on the characteristics of Pluronic polymers including F68, F127, L35, P123, and L81. In particular, NC60 coated with Pluronic F127 at a weight ratio of 1 to 5 showed excellent antioxidant effects both in situ and in vitro. This suggests that the high solubilization of NC60 in Pluronic polymers increases its chance of interacting with reactive oxygen radicals and improves radical scavenging activity. Thus, the optimized NC60/PF127 may be a novel biocompatible antioxidant for treating various diseases associated with oxidative stress. Full article

Coarse-grained molecular dynamics (CGMD) simulations were employed to investigate the effects of phospholipids on the aggregation of hydrophilic, modified carbon-nanoparticle fillers in cis-polyisoprene (cis-PI) composites. The MARTINI force field was applied to model dipalmitoylphosphatidylcholine (DPPC) lipids and hydrophilic modified fullerenes (HMFs). The simulations of DPPC in cis-PI composites show that the DPPC lipids self-assemble to form a reverse micelle in a rubber matrix. Moreover, HMF molecules readily aggregate into a cluster, in agreement with the previous studies. Interestingly, the mixture of the DPPC and HMF in the rubber matrix shows a cluster of HMF is encapsulated inside the DPPC reverse micelle. The HMF encapsulated micelles disperse well in the rubber matrix, and their sizes are dependent on the lipid concentration. Mechanical and thermal properties of the composites were analyzed by calculating the diffusion coefficients (D), bulk modulus (κ), and glass transition temperatures (T_g). The results suggest that DPPC acts as a plasticizer and enhances the flexibility of the HMF-DPPC rubber composites. These findings provide valuable insights into the design and process of high-performance rubber composites, offering improved mechanical and thermal properties for various applications. Full article

The photocatalytic decomposition of ammonia to produce N₂ and H₂ was achieved using single-walled carbon nanotube (SWCNT) nanohybrids. The physical modification of ferrocene-dye-encapsulated CNTs by amphiphilic C₆₀-dendron yielded nanohybrids with a dye/CNT/C₆₀ coaxial heterojunction. Upon irradiation with visible light, an aqueous solution of NH₃ and dye@CNT/C₆₀-dendron nanohybrids produced both N₂ and H₂ in a stoichiometric ratio of 1/3. The action spectra of this reaction clearly demonstrated that the encapsulated dye acted as the photosensitizer, exhibiting an apparent quantum yield (AQY) of 0.22% at 510 nm (the λ_max of the dye). This study reports the first example of dye-sensitized ammonia decomposition and provides a new avenue for developing efficient and sustainable photocatalytic hydrogen production systems. Full article

Hydrogen storage has been a bottleneck factor for the application of hydrogen energy. Hydrogen storage capacity for titanium-decorated boron-doped C₂₀ fullerenes has been investigated using the density functional theory. Different boron-doped C₂₀ fullerene absorbents are examined to avoid titanium atom clustering. According to our research, with three carbon atoms in the pentagonal ring replaced by boron atoms, the binding interaction between the Ti atom and C₂₀ fullerene is stronger than the cohesive energy of titanium. The calculated results revealed that one Ti atom can reversibly adsorb four H₂ molecules with an average adsorption energy of −1.52 eV and an average desorption temperature of 522.5 K. The stability of the best absorbent structure with a gravimetric density of 4.68 wt% has been confirmed by ab initio molecular dynamics simulations. These findings suggest that titanium-decorated boron-doped C₂₀ fullerenes could be considered as a potential candidate for hydrogen storage devices. Full article

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 sp^1.78 hybridization for carbons at the 1.42 Å bonds and more pyramidal sp^2.13 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. Full article

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. Full article

A large number of the thin-film organic structures (polyimides, 2-cyclooctylarnino-5-nitropyridine, N-(4-nitrophenyl)-(L)-prolinol, 2-(n-Prolinol)-5-nitropyridine) sensitized with the different types of the nano-objects (fullerenes, carbon nanotubes, quantum dots, shungites, reduced graphene oxides) are presented, which are studied using the holographic technique under the Raman–Nath diffraction conditions. Pulsed laser irradiation testing of these materials predicts a dramatic increase of the laser-induced refractive index, which is in several orders of the magnitude greater compared to pure materials. The estimated nonlinear refraction coefficients and the cubic nonlinearities for the materials studied are close to or larger than those known for volumetric inorganic crystals. The role of the intermolecular charge transfer complex formation is considered as the essential in the refractivity increase in nano-objects-doped organics. As a new idea, the shift of charge from the intramolecular donor fragment to the intermolecular acceptors can be proposed as the development of Janus particles. The energy losses via diffraction are considered as an additional mechanism to explain the nonlinear attenuation of the laser beam. Full article

Objectives: The primary objective of this research targeted the biochemical effects of SDT on human cervix carcinoma (HeLa) and mouse Lewis lung carcinoma (LLC) cells grown in 2D monolayer and 3D spheroid cell culture. Methods: HeLa and LLC monolayers and spheroids were treated with a 20 µM C₆₀-Ber for 24 h, followed by irradiation with 1 MHz, 1 W/cm² US. To evaluate the efficacy of the proposed treatment on cancer cells, assessments of cell viability, caspase 3/7 activity, ATP levels, and ROS levels were conducted. Results: Our results revealed that US irradiation alone had negligible effects on LLC and HeLa cancer cells. However, both monolayers and spheroids irradiated with US in the presence of the C₆₀-Ber exhibited a significant decrease in viability (32% and 37%) and ATP levels (42% and 64%), along with a notable increase in ROS levels (398% and 396%) and caspase 3/7 activity (437% and 246%), for HeLa monolayers and spheroids, respectively. Similar tendencies were observed with LLC cells. In addition, the anticancer effects of C₆₀-Ber surpassed those of C₆₀, Ber, or their mixture (C₆₀ + Ber) in both cell lines. Conclusions: The detected intensified ROS generation and ATP level drop point to mitochondria dysfunction, while increased caspase 3/7 activity points on the apoptotic pathway induction. The combination of 1 W/cm² US with C₆₀-Ber showcased a promising platform for synergistic sonodynamic chemotherapy for cancer treatment. Full article

Due to a rise in industrial pollutants in modern life, the climate and energy crisis have grown more widespread. One of the best ways to deal with dye degradation, hydrogen production, and carbon dioxide reduction issues is the photocatalytic technique. Among various methods, catalytic technology has demonstrated tremendous promise in recent years as a cheap, sustainable, and environmentally benign technology. The expeditious establishment of carbon-based metal nanoparticles as catalysts in the disciplines of materials and chemical engineering for catalytic applications triggered by visible light is largely attributed to their advancement. There have been many wonderful catalysts created, but there are still many obstacles to overcome, which include the cost of catalysts being reduced and their effectiveness being increased. Carbon-based materials exhibit a unique combination of characteristics that make them ideal catalysts for various reaction types. These characteristics include an exceptional electrical conductivity, well-defined structures at the nanoscale, inherent water repellency, and the ability to tailor surface properties for specific applications. This versatility allows them to be effective in diverse catalytic processes, encompassing organic transformations and photocatalysis. The emergence of carbon-based nanostructured materials, including fullerenes, carbon dots, carbon nanotubes, graphitic carbon nitride, and graphene, presents a promising alternative to conventional catalysts. This review focuses on the diverse functionalities of these materials within the realm of catalysis materials for degradation, hydrogen production, and carbon dioxide reduction. Additionally, it explores the potential for their commercialization, delving into the underlying mechanisms and key factors that influence their performance. It is anticipated that this review will spur more research to develop high-performance carbon-based materials for environmental applications. Full article