The chemical activity of Juglone in different phases as a protective agent

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dc.contributor.authorGökalp F.
dc.date.accessioned2021-01-14T18:11:13Z
dc.date.available2021-01-14T18:11:13Z
dc.date.issued2021
dc.departmentKKÜ
dc.description.abstractJuglone has a powerful antioxidant and antimicrobial effects due to the main active phenolic compound in the leaves and shell of a walnut. The aim of the current investigation is to determine the effect of Juglon (5-Hydroxy, 1, 4-naphthoquinone) in several phases as a natural agent. The electronic structures of Juglone (5-Hydroxy, 1, 4-naphthoquinone) has been studied by first-principles methods that contain electronic correlation and spin-orbital corrections. DFT, RB3LYP methods were used for the theoretical calculations by using 6?31+g(d,p) functional base. Juglone in the blood is a quite reactive substance while comparing the other phases (water, methanol, ethanol). Our theoretical results have determined the stability order, especially in the blood phase. The result of this calculation indicates that the stability of Juglone in water is the most. Juglone in blood phase acts as a radical scavenger and antimicrobial agent due to being unstable properties. In this study, Juglone, an important phytochemical in different phase solutions has been investigated by the theoretical application. The results of the molecular placement results, the most stable structure of Juglone, as the antiinflammatory and antiviral agent are the most important parameters for the experimental studies in finding the precursor compounds. © 2020 Elsevier B.V.en_US
dc.description.sponsorshipBAP-2016/016,2017/019en_US
dc.description.sponsorshipThe calculations have been carried out in the Computing Center and Gaussian 09 W programs of Kırıkkale University. This study has been supported by the Scientific Research Projects of Kırıkkale University ( BAP-2016/016,2017/019 ).en_US
dc.identifier.doi10.1016/j.jfluchem.2020.109701
dc.identifier.issn0022-1139
dc.identifier.scopus2-s2.0-85098091890
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1016/j.jfluchem.2020.109701
dc.identifier.urihttps://hdl.handle.net/20.500.12587/12917
dc.identifier.volume242en_US
dc.identifier.wosWOS:000609574500009
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier B.V.en_US
dc.relation.ispartofJournal of Fluorine Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAnti-inflammatory agenten_US
dc.subjectBlooden_US
dc.subjectDFTen_US
dc.subjectJugloneen_US
dc.subjectRadical scavengeren_US
dc.titleThe chemical activity of Juglone in different phases as a protective agenten_US
dc.typeArticle

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