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Synthesis, Mass Spectroscopy Detection, and Density Functional Theory Investigations of the Gd Endohedral Complexes of C-82 Fullerenols / A. A. Shakirova, F. N. Tomilin, V. A. Pomogaev [et al.] // Computation. - 2021. - Vol. 9, Is. 5. - Ст. 58, DOI 10.3390/computation9050058. - Cited References:41. - The experimental results were funded by RFBR project No. 18-29-19003 MK. The quantum chemical study was funded by project 0721-2020-0033 of the Russian Ministry of Science and Education. The collaboration and coordination of Russian and Korean teams was supported by Collaborative NRF-RFBR grant (Korean ID: NRF-2019K2A9A1A06100125; Russian ID: Project No. 19-53-51005 NIFa RFFI-Korea) and NRF 2021R1A2C1010455 grant. . - ISSN 2079-3197

РУБ Mathematics, Interdisciplinary Applications
Рубрики:
ZETA VALENCE QUALITY
   BIOLOGICAL-ACTIVITY
   BASIS-SETS
   TOXICITY
Кл.слова (ненормированные):
endohedral fullerenes -- density functional theory -- antioxidant activity -- reactive oxygen species -- magnetic resonance imaging
Аннотация: Gd endohedral complexes of C-82 fullerenols were synthesized and mass spectrometry analysis of their composition was carried out. It was established that the synthesis yields a series of fullerenols Gd@C82Ox(OH)(y) (x = 0, 3; y = 8, 16, 24, 36, 44). The atomic and electronic structure and properties of the synthesized fullerenols were investigated using the density functional theory calculations. It was shown that the presence of endohedral gadolinium increases the reactivity of fullerenols. It is proposed that the high-spin endohedral fullerenols are promising candidates for application in magnetic resonance imaging.

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Держатели документа:
Siberian Fed Univ, Dept Biophys, Sch Engn Phys & Radio Elect, Sch Petr & Gas Engn, Pr Svobodny 79, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk Sci Ctr, Akad Gorodok 50, Krasnoyarsk 660036, Russia.
Natl Res Tomsk State Univ, Dept Phys, Lenina Ave 36, Toms 634050, Russia.
Kyungpook Natl Univ, Dept Chem, 80 Daehak Ro, Daegu 41566, South Korea.
Kyungpook Natl Univ, Green Nano Mat Res Ctr, 80 Daehak Ro, Daegu 41566, South Korea.
Russian Acad Sci, Siberian Branch, Inst Biophys, Krasnoyarsk Sci Ctr, Akad Gorodok 50-50, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Shakirova, Anastasia A.; Tomilin, Felix N.; Pomogaev, Vladimir A.; Vnukova, Natalia G.; Churilov, Grigory N.; Kudryasheva, Nadezhda S.; Tchaikovskaya, Olga N.; Ovchinnikov, Sergey G.; Avramov, Pavel V.; Tomilin, Felix; RFBRRussian Foundation for Basic Research (RFBR) [18-29-19003 MK]; Russian Ministry of Science and EducationMinistry of Education and Science, Russian Federation [0721-2020-0033]; Collaborative NRF-RFBR grant (Korean) [NRF-2019K2A9A1A06100125]; Collaborative NRF-RFBR grant (Russian) [19-53-51005 NIFa RFFI-Korea]; NRF [2021R1A2C1010455]

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Toxicity and Antioxidant Activity of Fullerenol C-60,C-70 with Low Number of Oxygen Substituents / E. S. Kovel, A. G. Kicheeva, N. G. Vnukova [et al.] // Int. J. Mol. Sci. - 2021. - Vol. 22, Is. 12. - Ст. 6382, DOI 10.3390/ijms22126382. - Cited References:93. - This research was funded by RFBR, N18-29-19003; RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science, N20-44-243001; and partly supported by the Program of the Federal Service for Surveillance on Consumer Rights Protection and HumanWellbeing, Fundamental Study 2020-2025 (Russian Federation). . - ISSN 1422-0067

РУБ Biochemistry & Molecular Biology + Chemistry, Multidisciplinary
Рубрики:
HUMIC SUBSTANCES
DETOXIFICATION PROCESSES
BIOLOGICAL-ACTIVITY
Кл.слова (ненормированные):
fullerenol -- toxicity -- antioxidant activity -- reactive oxygen species -- bioluminescent assay -- hormesis
Аннотация: Fullerene is a nanosized carbon structure with potential drug delivery applications. We studied the bioeffects of a water-soluble fullerene derivative, fullerenol, with 10-12 oxygen groups (F10-12); its structure was characterized by IR and XPS spectroscopy. A bioluminescent enzyme system was used to study toxic and antioxidant effects of F10-12 at the enzymatic level. Antioxidant characteristics of F10-12 were revealed in model solutions of organic and inorganic oxidizers. Low-concentration activation of bioluminescence was validated statistically in oxidizer solutions. Toxic and antioxidant characteristics of F10-12 were compared to those of homologous fullerenols with a higher number of oxygen groups:F24-28 and F40-42. No simple dependency was found between the toxic/antioxidant characteristics and the number of oxygen groups on the fullerene's carbon cage. Lower toxicity and higher antioxidant activity of F24-28 were identified and presumptively attributed to its higher solubility. An active role of reactive oxygen species (ROS) in the bioeffects of F10-12 was demonstrated. Correlations between toxic/antioxidant characteristics of F10-12 and ROS content were evaluated. Toxic and antioxidant effects were related to the decrease in ROS content in the enzyme solutions. Our results reveal a complexity of ROS effects in the enzymatic assay system.

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Держатели документа:
FRC KSC SB RAS, Inst Biophys SB RAS, Krasnoyarsk 660036, Russia.
FRC KSC SB RAS, Inst Phys SB RAS, Krasnoyarsk 660036, Russia.
FRC KSC SB RAS, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Inst Fundamental Biol & Biotechnol, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Kovel, Ekaterina S.; Kicheeva, Arina G.; Vnukova, Natalia G.; Churilov, Grigory N.; Stepin, Evsei A.; Kudryasheva, Nadezhda S.; Kovel, Ekaterina; RFBRRussian Foundation for Basic Research (RFBR) [N18-29-19003]; RFBR, Krasnoyarsk Territory; Krasnoyarsk Regional Fund of Science [N20-44-243001]; Program of the Federal Service for Surveillance on Consumer Rights Protection and Human Wellbeing, Fundamental Study 2020-2025 (Russian Federation)

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