Investigations of the most active compound as antidental caries between chemical constituents of miswak
Joint Authors
Jasim, Salah al-Din
Ali, Naba. B.
Source
Issue
Vol. 25, Issue 1 العلوم الصرفة و الهندسية (30 Jun. 2022), pp.31-36, 6 p.
Publisher
Publication Date
2022-06-30
Country of Publication
Iraq
No. of Pages
6
Main Subjects
Abstract EN
The present study deals with quantum calculations to investigate some chemical descriptors of the main components of miswak extract to evaluate the most potent agents that used as anti dental caries between all the chemical components present in this plant.
The chemical descriptors such as HOMO, LUMO, Energy gap, softness, hardness and electrophilicity was used as indicators to evaluate the activity of each component.
Using hyperchem-8 package, density functional theory (DFT) was used as quantum method at the basis set L631G* with B3LYP function as the exchange–correlation.
It can be concluded that benzyl isothiocyanate is considered as the potent agent that prevent dental careis due to the comparison of several chemical descriptors studied by DFT method.
American Psychological Association (APA)
Jasim, Salah al-Din& Ali, Naba. B.. 2022. Investigations of the most active compound as antidental caries between chemical constituents of miswak. Journal of Dohuk University،Vol. 25, no. 1 العلوم الصرفة و الهندسية, pp.31-36.
https://search.emarefa.net/detail/BIM-1595275
Modern Language Association (MLA)
Jasim, Salah al-Din& Ali, Naba. B.. Investigations of the most active compound as antidental caries between chemical constituents of miswak. Journal of Dohuk University Vol. 25, no. 1 Pure and Engineering Sciences (2022), pp.31-36.
https://search.emarefa.net/detail/BIM-1595275
American Medical Association (AMA)
Jasim, Salah al-Din& Ali, Naba. B.. Investigations of the most active compound as antidental caries between chemical constituents of miswak. Journal of Dohuk University. 2022. Vol. 25, no. 1 العلوم الصرفة و الهندسية, pp.31-36.
https://search.emarefa.net/detail/BIM-1595275
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references: p. 34-36
Record ID
BIM-1595275