Theoretical EPR Study of 6-Mercaptopurine

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dc.contributor.authorTasdemir, Halil Ugur
dc.contributor.authorTurkkan, Ercan
dc.date.accessioned2024-02-23T14:17:04Z
dc.date.available2024-02-23T14:17:04Z
dc.date.issued2017
dc.departmentNEÜen_US
dc.description32nd International Physics Congress of Turkish-Physical-Society (TPS) -- SEP 06-09, 2016 -- Bodrum, TURKEYen_US
dc.description.abstract6-Mercaptopurine is important antineoplastics agent and it is used for immuno suppressive and anti inflammatory. Experimental EPR parameters of 6-Mercaptopurine molecules powder were studied in the literature. The aim of this study EPR parameters of 6 Mercaptopurine molecules were calculated with theoretical calculations and define the possible radicals of 6 Mercaptopurine molecules. Firstly the X-ray structure of 6-Mercaptopurine molecules were found in the literature (1). EPR parameters and possible radicals of 6 Mercaptopurine molecules were calculated from this X-ray structure. Possible radicals of gamma-irradiated 6-Mercaptopurine molecules were constituted. EPR parameters of possible radicals were calculated with 1331XP/6-31.1++ G (d,p) basis set in MT methods for 6 Mercaptopurine molecules.en_US
dc.description.sponsorshipTurkish Phys Socen_US
dc.identifier.doi10.1063/1.4976363
dc.identifier.isbn978-0-7354-1483-9
dc.identifier.issn0094-243X
dc.identifier.scopus2-s2.0-85016081826en_US
dc.identifier.urihttps://doi.org/10.1063/1.4976363
dc.identifier.urihttps://hdl.handle.net/20.500.12452/12934
dc.identifier.volume1815en_US
dc.identifier.wosWOS:000435205100019en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherAmer Inst Physicsen_US
dc.relation.ispartofProceedings Of The Turkish Physical Society 32nd International Physics Congress (Tps32)en_US
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subject[Keyword Not Available]en_US
dc.titleTheoretical EPR Study of 6-Mercaptopurineen_US
dc.typeConference Objecten_US

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