Influence of Ethanol and Water on Physical and Chemical Processes of Splitting of Paracetamol and Glycine

Автор(ы) A.G. Barylka, R.M. Balabai

Kryvyi Rih Pedagogical University, 54, Gagarin Ave., 50085 Kryvyi Rih, Ukraine

Выпуск Том 9, Год 2017, Номер 6
Даты Получено 14.08.2017, в отредактированной форме – 15.11.2017, опубликовано online – 24.11.2017
Ссылка A.G. Barylka, R.M. Balabai, J. Nano- Electron. Phys. 9 No 6, 06022 (2017)
DOI 10.21272/jnep.9(6).06022
PACS Number(s) 61.46. + w, 71.15.Mb, 73.22. – f, 73.63. – b
Ключевые слова Method of electron density functional, Pseudopotential method (2) , Paracetamol, Glycine, Water (10) , Ethanol.
Аннотация It was found that the redistribution of electric charges in the vicinity of the atoms in the molecules of paracetamol and glycine after the supply of the molecules of water and ethanol. On charts of the electron density distribution of valence electrons was recorded "trickling" electrons in the region of space between the molecule and the solvent molecules of the drug. Recorded the formation of surface chemical compounds that may lead to the disintegration of the drug molecule into radicals. This is clearly seen in the model structures, consisting of paracetamol and water or ethanol.

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