Comprehensive Analysis of Density of States (DOS), UV-Visible, NMR Spectroscopy, and Molecular Electrostatic Potential (MEP) of RU-486 and its Derivatives (Ph, KOH, NO?, OH) in Relation to Their Effects on Breast Cancer

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dc.contributor.authorKEBİROĞLU, Mehmet Hanifi
dc.contributor.authorAK, Fermin
dc.date.accessioned2025-10-24T18:04:08Z
dc.date.available2025-10-24T18:04:08Z
dc.date.issued2025
dc.departmentMalatya Turgut Özal Üniversitesi
dc.description.abstractIn this study, a comprehensive analysis was conducted on RU-486 (Mifepristone) and its derivatives (Ph, KOH, NO?, OH), focusing on their potential effectiveness against breast cancer. The analysis included Density of States (DOS) optimization, UV-Visible spectroscopy, Nuclear Magnetic Resonance (NMR) spectroscopy, and Molecular Electrostatic Potential (MEP) mapping. The electronic structures and stabilities of these molecules were examined through DOS, revealing how different functional groups influence their electronic properties. UV-Visible spectroscopy identified shifts in absorption maxima, which correspond to changes in electronic transitions due to functionalization. NMR spectroscopy provided insights into the chemical environments of specific nuclei, offering detailed information on molecular geometry and electronic distribution. MEP analysis mapped the electrostatic potential across the molecular surfaces, pinpointing regions of electrophilic and nucleophilic reactivity. Collectively, these analyses have enhanced the understanding of the electronic properties, reactivity, and potential pharmaceutical applications of RU-486 and its derivatives in breast cancer treatment.
dc.identifier.doi10.53433/yyufbed.1578071
dc.identifier.endpage60
dc.identifier.issn1300-5413
dc.identifier.issn2667-467X
dc.identifier.issue1
dc.identifier.startpage46
dc.identifier.trdizinid1311066
dc.identifier.urihttps://doi.org/10.53433/yyufbed.1578071
dc.identifier.urihttps://search.trdizin.gov.tr/tr/yayin/detay/1311066
dc.identifier.urihttps://hdl.handle.net/20.500.12899/2672
dc.identifier.volume30
dc.indekslendigikaynakTR-Dizin
dc.language.isoen
dc.relation.ispartofYüzüncü Yıl Üniversitesi Fen Bilimleri Enstitüsü Dergisi
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzTR-Dizin_20251023
dc.subjectMEP
dc.subjectNMR
dc.subjectDOS
dc.subjectUV-Vis
dc.subjectRu-486
dc.titleComprehensive Analysis of Density of States (DOS), UV-Visible, NMR Spectroscopy, and Molecular Electrostatic Potential (MEP) of RU-486 and its Derivatives (Ph, KOH, NO?, OH) in Relation to Their Effects on Breast Cancer
dc.typeArticle

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