Investigation of K-Serotonin Structure Using Nuclear Magnetic Resonance by Quantum Chemical Methods

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dc.contributor.authorYılmaz, Mücahit
dc.contributor.authorKebiroglu, Hanifi
dc.date.accessioned2026-08-12T15:12:37Z
dc.date.issued2022
dc.departmentFırat Üniversitesi
dc.description.abstractIn this study, the K-Serotonin structure formed by adding potassium to Serotonin (5-HT) was investigated by quantum chemical methods. 5-hydroxytryptamine is a neurotransmitter that affects mood, making people feel happy and energetic. 5-HT and 5-HT-potassium were optimized with some base sets to find the optimal band gap using the density function theory (DFT) and Hartree-Fock (HF) method. The most suitable DFT/LanL2DZ was selected for the structure with and without additives. By calculating the values for 5-HT and K-5-HT, the effects of potassium on 5-HT binding were compared.
dc.identifier.doi10.54565/jphcfum.1201785
dc.identifier.endpage55
dc.identifier.issn2651-3080
dc.identifier.issn2651-3080
dc.identifier.issue2
dc.identifier.startpage49
dc.identifier.urihttps://doi.org/10.54565/jphcfum.1201785
dc.identifier.urihttps://hdl.handle.net/11508/30355
dc.identifier.volume5
dc.language.isoen
dc.publisherNiyazi BULUT
dc.relation.ispartofJournal of Physical Chemistry and Functional Materials
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_DergiPark_20260511
dc.subjectMetrology
dc.subjectApplied and Industrial Physics
dc.subjectMetroloji
dc.subjectUygulamalı ve Endüstriyel Fizik
dc.subjectChemical Engineering
dc.subjectKimya Mühendisliği
dc.titleInvestigation of K-Serotonin Structure Using Nuclear Magnetic Resonance by Quantum Chemical Methods
dc.typeArticle

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