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Supramolecular interaction of caffeine molecules with each other, water molecules and oxygen atoms in the cobalt, cadmium and magnesium perrhenates of caffeineстатья Тезисы
Дата последнего поиска статьи во внешних источниках: 1 апреля 2020 г.
- Авторы: Konstantin German, Mikhail Grigoriev, Nadezhda Legkodimova, German Eduard
- Журнал: Nuclear Medicine and Biology
- Том: 73
- Номер: Supplimentary 1
- Год издания: 2019
- Издательство: Elsevier BV
- Местоположение издательства: Netherlands
- Первая страница: S26
- Последняя страница: S26
- DOI: 10.1016/S0969-8051(19)30261-6
- Аннотация: Recently the antitumor and radiosensitizing drugs being caffeine derivatives that penetrate easily through blood brain barrier have been developed. They are effective with radiation and chemotherapy treatment for cases of brain tumors [1]. Results of these studies has shown the caffeine derivatives as perspective source for receiving therapeutic agents to be used in a combined therapy for primary and metastatic brain tumors. Anyhow the mechanism of caffeine interaction was not clear. To provide the proper understanding of caffeine action the precise structural data are necessary. To increase the accuracy of the structural date and to simulate the interaction of caffeine with tetraoxidoanion and hydration water molecules the synthesis of caffeine cobalt hexahydrate perrhenate was carried out from saturated water solutions and the single crystal thus obtained were subjected to X-ray structural study at Bruker KAPPA APEX II diffractometer. Supramolecular interactions of caffeine molecules with each other, water molecules and oxygen atoms of tetraoxidoanions as in a new compound of M(H2O)6[ReO4]2.caffeine (M = Co, Cd, Mg) are analyzed in this study through comparison of the new precise structural data with quantum chemical analyses. The reasons for alterable orientation of caffeine molecules to each other and for the H-bonds network formation have been evaluated.
- Добавил в систему: Герман Константин Эдуардович