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

Abstract

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.

Keywords

• Serotonin (5-HT)
• K-Serotonin (K-5-HT)
• DFT
• HF
• FT-IR
• UV-vis
• NMR
• HOMO-LUMO
• DOS

References

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