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полный	информационный	краткий

Поисковый запрос: (<.>S=ANTICOAGULANT<.>)

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Theoretical DFT interpretation of infrared spectra of biologically active arabinogalactan sulphated derivatives / A. S. Kazachenko, F. N. Tomilin, A. A. Pozdnyakova [et al.] // Chem. Pap. - 2020. - Vol. 74, Is. 11. - P. 4103-4113, DOI 10.1007/s11696-020-01220-3. - Cited References: 52. - The reported work was funded by RFBR and the government of Krasnoyarsk region according to the research project. 18-43-242003. The study was carried out using equipment of the Krasnoyarsk Regional Center of Research Equipment, Federal Research Center "Krasnoyarsk Science Center SB RAS". Publication was also partially supported by Project FSWM-2020-0033 of Russian Ministry of Science and Education.The authors are grateful to I.V. Korolkova for IR-spectra. . - ISSN 2585-7290. - ISSN 1336-9075

РУБ Chemistry, Multidisciplinary
Рубрики:
DENSITY-FUNCTIONAL THEORIES
ASTRAGALUS POLYSACCHARIDE
ANTICOAGULANT
Кл.слова (ненормированные):
Arabinogalactan -- Sulphated arabinogalactan -- FTIR-spectra -- Molecular structure -- Density functional theory
Аннотация: Arabinogalactan (AG) and sulphated arabinogalactans which are products of chemical modification of arabinogalactan polysaccharide with anticoagulant properties were studied by experimental infrared (IR) spectroscopy combined with density functional theory simulations. Mutual analysis of experimental and theoretical IR frequencies indicates that the discrepancies between experiment and theory is caused by the influence of –OH groups, which led to the energy shift and broadening of the absorption IR bands. It was found that theoretical and experimental spectra correspond well within the 3000–4000 cm−1 spectral region. Addition of sulphur group in AG structure causes hydroxyl group to become accessible for further sulphation. The difference between experimental and theoretical IR frequencies of sulphated AG derivatives is greater than that of the parent arabinogalactan due to the increase in the number of possible isomers and conformers.

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Держатели документа:
FRC Krasnoyarsk Sci Ctr SB RAS, Inst Chem & Chem Technol SB RAS, 50-24 Akademgorodok, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, 79 Svobodny Pr, Krasnoyarsk 660041, Russia.
FRC Krasnoyarsk Sci Ctr SB RAS, Kirensky Inst Phys SB RAS, 50-38 Akademgorodok, Krasnoyarsk 660036, Russia.
Natl Res Tomsk State Univ, Lenin Ave 36, Tomsk 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.

Доп.точки доступа:
Kazachenko, Aleksandr S.; Tomilin, F. N.; Томилин, Феликс Николаевич; Pozdnyakova, Anastasia A.; Vasilyeva, Natalia Yu; Malyar, Yuriy N.; Kuznetsova, Svetlana A.; Avramov, P. V.; Аврамов, Павел Вениаминович; RFBRRussian Foundation for Basic Research (RFBR); government of Krasnoyarsk region [18-43-242003]; Russian Ministry of Science and EducationMinistry of Education and Science, Russian Federation [FSWM-2020-0033]
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