Journal of Physical Chemistry and Functional Materials

Yazarlar: ["Mücahit YILMAZ", "Hanifi KEBİROGLU"]

Konular:-

DOI:10.54565/jphcfum.1201785

Anahtar Kelimeler:Serotonin (5-HT),K-Serotonin (K-5-HT),DFT,HF,FT-IR,UV-vis,NMR,HOMO-LUMO,DOS

Özet: In 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.

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