Сибирский федеральный университет

Тип публикации: статья из журнала

Год издания: 2023

Идентификатор DOI: 10.1016/j.molstruc.2023.136471

Ключевые слова: agarose, Sulfated Agarose, sulfation, analysis, density functional theory

Аннотация: Agarose sulfates are bioactive modified polysaccharides important for application. To obtain the bioactive agarose derivatives and expand the range of their potential use, the modification with some functional groups is needed. Agarose sulfates exhibit the anticoagulant, hypolipidemic, and other-type bioactivity. In this study, different methods for preparation of agarose sulfates using nontoxic ammonium sulfamate are investigated. Several activators and catalysts of the process of sulfation with ammonium sulfamate are examined. It is shown that urea does not significantly activate ammonium sulfamate in the sulfation reaction, while potassium permanganate ensures a sulfur content of up to 13.2 wt% in the synthesized agarose sulfate. When Lewis acids (titanium and aluminum oxides) are used, the sulfur content in agarose sulfates can only reach 7.3 wt%. The catalysts with the Brønsted acid sites used in the synthesis of sulfated agarose can provide sulfur contents of up to 14.6 wt% in it. The incorporation of a sulfate group into the agarose molecule has been confirmed by elemental analysis and Fourier-transform infrared spectroscopy: the absorption bands at 1249 cm‒1 have been observed in the spectra. The X-ray diffraction and atomic force microscopy studies have revealed no ammonium sulfamate inclusions. According to the X-ray diffraction patterns, sulfation of agarose enhances its X-ray amorphism. It has been established from the atomic force microscopy images that the incorporation of a sulfate group into the agarose molecule changes the size of particles on the film surface from 42 to 80 nm. The theoretical examination of initial and sulfated agarose has been carried out within the density functional theory. The molecular geometry, vibration assignments, HOMO‒LUMO, molecular electrostatic potential maps, and electronic properties of the substances have been established by the quantum-chemical calculations in the framework of the density functional theory.

Журнал: Journal of Molecular Structure

Выпуск журнала: Т.1294, №Part 2

Номера страниц: 136471

ISSN журнала: 00222860

Издатель: Elsevier Science Publishing Company, Inc.

• Kazachenko Аleksandr S. (Institute of Chemistry and Chemical Technology, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences)
• Vasilyeva Natalya Yu. (Institute of Chemistry and Chemical Technology, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences)
• Akman Feride (Vocational School of Food, Agriculture and Livestock, University of Bingöl)
• Fetisova Olga Yu. (Institute of Chemistry and Chemical Technology, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences)
• Berezhnaya Yaroslava D. (Institute of Chemistry and Chemical Technology, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences)
• Karacharov Anton A. (Institute of Chemistry and Chemical Technology, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences)
• Issaoui Noureddine (Laboratory of Quantum and Statistical Physics (LR18ES18), Faculty of Sciences, University of Monastir)
• Borovkova Valentina S. (Institute of Chemistry and Chemical Technology, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences)
• Malyar Yuriy N. (Institute of Chemistry and Chemical Technology, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences)
• Ivanenko Timur (Institute of Chemistry and Chemical Technology, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences)

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