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Crystalline functionalized endohedral C₆₀ metallofullerides.

ABSTRACT: Endohedral metallofullerenes have been extensively studied since the first experimental observation of La@C₆₀ in a laser-vaporized supersonic beam in 1985. However, most of these studies have focused on metallofullerenes larger than C₆₀ such as (metal)@C₈₂, and there are no reported purified C₆₀-based monomeric metallofullerenes, except for [Li@C₆₀]⁺(SbCl₆)^- salt. Pure (metal)@C₆₀ compounds have not been obtained because of their extremely high chemical reactivity. One route to their stabilization is through chemical functionalization. Here we report the isolation, structural determination and electromagnetic properties of functionalized crystalline C₆₀-based metallofullerenes Gd@C₆₀(CF₃)₅ and La@C₆₀(CF₃)₅. Synchrotron X-ray single-crystal diffraction reveals that La and Gd atoms are indeed encapsulated in the I_h-C₆₀ fullerene. The HOMO-LUMO gaps of Gd@C₆₀ and La@C₆₀ are significantly widened by an order of magnitude with addition of CF₃ groups. Magnetic measurements show the presence of a weak antiferromagnetic coupling in Gd@C₆₀(CF₃)₃ crystals at low temperatures.

SUBMITTER: Nakagawa A

PROVIDER: S-EPMC6078994 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description: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".

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Crystalline functionalized endohedral C₆₀ metallofullerides.

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Crystalline functionalized endohedral C60 metallofullerides.

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Crystalline functionalized endohedral C₆₀ metallofullerides.