Перевод заглавия: Синтез, масс-спектроскопическое определение и исследование теорией функционала плотности Gd-эндоэдральных комплексов фуллеренолов C82
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
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 C82 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, A. A.; Tomilin, F. N.; Томилин, Феликс Николаевич; Pomogaev, V. A.; Vnukova, N. G.; Внукова, Наталья Григорьевна; Churilov, G. N.; Чурилов, Григорий Николаевич; Kudryasheva, N. S.; Tchaikovskaya, O. N.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Avramov, P. V.; 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]