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Spectromicroscopy of C₆₀ and azafullerene C₅₉N: Identifying surface adsorbed water.

ABSTRACT: C₆₀ fullerene crystals may serve as important catalysts for interstellar organic chemistry. To explore this possibility, the electronic structures of free-standing powders of C₆₀ and (C₅₉N)₂ azafullerenes are characterized using X-ray microscopy with near-edge X-ray adsorption fine structure (NEXAFS) spectroscopy, closely coupled with density functional theory (DFT) calculations. This is supported with X-ray photoelectron spectroscopy (XPS) measurements and associated core-level shift DFT calculations. We compare the oxygen 1s spectra from oxygen impurities in C₆₀ and C₅₉N, and calculate a range of possible oxidized and hydroxylated structures and associated formation barriers. These results allow us to propose a model for the oxygen present in these samples, notably the importance of water surface adsorption and possible ice formation. Water adsorption on C₆₀ crystal surfaces may prove important for astrobiological studies of interstellar amino acid formation.

SUBMITTER: Erbahar D

PROVIDER: S-EPMC5066267 | biostudies-literature | 2016 Oct

REPOSITORIES: biostudies-literature

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Spectromicroscopy of C60 and azafullerene C59N: Identifying surface adsorbed water.

Erbahar Dogan D Susi Toma T Rocquefelte Xavier X Bittencourt Carla C Scardamaglia Mattia M Blaha Peter P Guttmann Peter P Rotas Georgios G Tagmatarchis Nikos N Zhu Xiaohui X Hitchcock Adam P AP Ewels Chris P CP

Scientific reports 20161017

C60 fullerene crystals may serve as important catalysts for interstellar organic chemistry. To explore this possibility, the electronic structures of free-standing powders of C60 and (C59N)2 azafullerenes are characterized using X-ray microscopy with near-edge X-ray adsorption fine structure (NEXAFS) spectroscopy, closely coupled with density functional theory (DFT) calculations. This is supported with X-ray photoelectron spectroscopy (XPS) measurement ...[more]

PMID: 27748425

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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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Spectromicroscopy of C₆₀ and azafullerene C₅₉N: Identifying surface adsorbed water.

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Spectromicroscopy of C<sub>60</sub> and azafullerene C<sub>59</sub>N: Identifying surface adsorbed water.

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Spectromicroscopy of C60 and azafullerene C59N: Identifying surface adsorbed water.

Publications

Spectromicroscopy of C&lt;sub&gt;60&lt;/sub&gt; and azafullerene C&lt;sub&gt;59&lt;/sub&gt;N: Identifying surface adsorbed water.

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OmicsDI is part of the ELIXIR infrastructure

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Spectromicroscopy of C₆₀ and azafullerene C₅₉N: Identifying surface adsorbed water.

Spectromicroscopy of C<sub>60</sub> and azafullerene C<sub>59</sub>N: Identifying surface adsorbed water.