Nuclear Magnetic Resonance and Quantum Chemical Calculations of Ca+2 Doped Norepinephrine Molecule by Using DFT and HF Methods

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dc.contributor.authorYILMAZ, MÜCAHIT
dc.contributor.authorKEBİROĞLU, Mehmet Hanifi
dc.date.accessioned2025-10-24T18:03:46Z
dc.date.available2025-10-24T18:03:46Z
dc.date.issued2024
dc.departmentMalatya Turgut Özal Üniversitesi
dc.description.abstractNorepinephrine plays an important role in many processes such as stress response, attention, alertness, blood pressure regulation, neurotransmission and emotional states. In this study, the molecule was optimized in order to get knowledge about the formation of the Ca+2 doped norepinephrine complex and the functions of norepinephrine in neurotransmission or other cellular processes by interacting with calcium. Quantum mechanical calculations such as FT-IR, Nuclear Magnetic Resonance (NMR), HO-MO-LUMO structure with the energy level diagram, UV-visible absorption, The density of states (DOS) of the optimized molecule were performed. The physical and chemical structure characteristics of the norepinephrine molecule and the change of its structural properties by molecular bonding with Ca+2 were investigated.
dc.identifier.doi10.29132/ijpas.1376725
dc.identifier.endpage11
dc.identifier.issn2149-0910
dc.identifier.issue1
dc.identifier.startpage1
dc.identifier.trdizinid1246512
dc.identifier.urihttps://doi.org/10.29132/ijpas.1376725
dc.identifier.urihttps://search.trdizin.gov.tr/tr/yayin/detay/1246512
dc.identifier.urihttps://hdl.handle.net/20.500.12899/2414
dc.identifier.volume10
dc.indekslendigikaynakTR-Dizin
dc.language.isoen
dc.relation.ispartofInternational Journal of Pure and Applied Sciences
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzTR-Dizin_20251023
dc.subjectKimya
dc.subjectAnalitik
dc.subjectSpektroskopi
dc.subjectKimya
dc.subjectUygulamalı
dc.subjectKimya
dc.subjectTıbbi
dc.subjectBiyokimya ve Moleküler Biyoloji
dc.subjectFizikokimya
dc.subjectHF
dc.subjectNMR
dc.subjectDFT
dc.subjectFT-IR
dc.subjectUV- Vis
dc.titleNuclear Magnetic Resonance and Quantum Chemical Calculations of Ca+2 Doped Norepinephrine Molecule by Using DFT and HF Methods
dc.typeArticle

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