http://dspace.nbuv.gov.ua:80/handle/123456789/4561 2026-04-23T07:48:48Z http://dspace.nbuv.gov.ua:80/handle/123456789/4670 Залежність між альфа-1-А-адреноблокувальною активністю та квантово-хімічними показниками похідних апорфіну Чекман, І.С.; Небесна, Т.Ю.; Бабіч, П.М. The quantitative structure-activity relationships for 19 aporphine derivatives are described, and the dependence between alpha-1-A-adrenoblocking properties of these substances and their quantum-chemical parameters is studied. All molecules were optimized by the molecular mechanical (MM+) and semi-empirical (PM3) methods. Regression analysis showed a functional relation between the alpha-1-A-adrenoblocking activity of aporphine derivatives and charges on atoms C8, C11, C4 and such topological descriptors as the total valence degree, topological diameter, total connectivity, and Wiener index. Alpha-1-A-adrenoblocking activity increases with the negative charge on carbon atoms C11 and C4. 2008-01-01T00:00:00Z http://dspace.nbuv.gov.ua:80/handle/123456789/4669 Молекулярная и электронная структуры фрагмента металлизированной ДНК-пары аденин-тимин с ионом цинка Рубин, Ю.В.; Белоус, Л.Ф.; Якуба, А.А. To study physical properties of fragments of metallic DNA (M-DNA), molecular and electronic structures and thermodynamic characteristics of the adenine-thymine pair with a Zn2+ ion (the ion was placed between nucleic acid bases) and of components forming this pair are calculated at the МР2/6–31 +G* level of theory. As well, the calculations were performed for adeni- ne-thymine-Zn2+-hydroxyl. It was revealed that the following bond lengths changed in investigated complexes: on the N3-C2-N1-C6-N10 fragment in the adenine, on С2-N3-C4-C5-C6-N1 fragment on the pyrimidine ring, and on C4-O8 in thymine, in comparison with neutral molecules. Charges on atoms changed at the same fragments. In the complexes calculated, the interaction energies of base pairs with Zn2+ are significantly higher than that of imino-proton with the AT pair or that of Zn2+ with its hydrate shell (6 water molecules). The HOMO and LUMO analyses of the ATZn+ triple complex and the AT pair showed the increase of sizes of the triple complex LUMO, which points to a possibility of the electron delocalization over the whole complex. 2008-01-01T00:00:00Z http://dspace.nbuv.gov.ua:80/handle/123456789/4668 Експресія антиапоптозних білків у тканинах колоректальної аденокарциноми при різних клінічних стадіях Хижняк, С.В.; Сорокіна, Л.В.; Осинський, Д.С.; Дьомін, Є.М.; Войціцький, В.М. The disbalance between the processes of cell division and cell death is the most inherent attribute of tumor cells. The aim of this work was to evaluate the expression levels of 3′-phosphoinositide-dependent protein kinase-1 (PDK 1) and antimitoptotic proteins Bcl-2 and Bcl-xL in the tumor tissues of surgically removed colorectal adenocarcinoma of different clinical stages. The estimated increased quantities of these signal proteins at the II-nd and IV-th carcinoma stages testify to the involvement of the precisely coordinated signal proteins to the processes of general programmed cell death inhibiting during the carcinogenesis. 2008-01-01T00:00:00Z http://dspace.nbuv.gov.ua:80/handle/123456789/4667 Экспериментальное обоснование термодинамического прогнозирования редокс-взаимодействия микроорганизмов с металлами-окислителями (Hg^2+, CrO4^2− и Cu^2+) Таширев, А.Б.; Матвеева, Н.А.; Таширева, А.А.; Романовская, В.А. The growth of chemoorganotrophic microorganisms at ultrahigh concentrations of toxic metals-oxidizers (Hg^2+, Cr4^O2− , and Cu^2+) is possible owing to a manifold increase in the concentration of metals (from 1 • 10−8 up to 1.0 mole/l) causes increasing their standard redox-potential (Eo) only by 200. . .400 mV, which stays in a zone of thermodynamic stability of water (−414 mV 6 Eh 6 +814 mV). Microorganisms of the granulated biocatalyst and Antarctic soil microorganisms are capable to grow in the presence of 500 . . . 1000 ppm Hg (II), 5000. . .60000 ppm Cr(VI), and 1000. . .10000 ppm Cu(II). High values of redox-potentials of Hg^2+, CrO4^2− , and Cu^2+ (+920 mV, +555 mV and +440 mV) predetermine the reduction of these metals by alive microorganisms. Microbial reduction of Hg^2+, CrO4^2− , and Cu^2+ leads to the formation of insoluble forms of metals and their sedimentation in solutions. Technogenic associations and the Antarctic soil microorganisms resistant to ultrahigh concentrations of these metals can be used for the development of new environment-protective technologies providing the purification of industrial waste waters from metals in any certain concentration or a wide range of concentrations. 2008-01-01T00:00:00Z