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

Автори A.G. Barylka, R.M. Balabai
Приналежність

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

Е-mail barilkaalena@gmail.com
Випуск Том 9, Рік 2017, Номер 6
Дати Одержано 14.08.2017, у відредагованій формі - 15.11.2017, опубліковано online - 24.11.2017
Посилання 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
Ключові слова Method of electron density functional, Pseudopotential method (2) , Paracetamol, Glycine, Water (10) , Ethanol.
Анотація 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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