Intermolecular Interaction and Complex Formation of Cytoflavin Components: IR Spectroscopy and Molecular Modeling

Pavel A. Zhulidin orcid (Login required)
Yuri Gagarin State Technical University of Saratov, Russian Federation

Pavel D. Filin
Yuri Gagarin State Technical University of Saratov, Russian Federation

Inna L. Plastun
Yuri Gagarin State Technical University of Saratov, Russian Federation

Ruslan Yu. Yakovlev
RTA Research Center LLC, Moscow, Russian Federation


Paper #9225 received 15 Jan 2025; revised manuscript received 17 Feb 2025; accepted for publication 19 Feb 2025; published online 30 Apr 2025.

DOI: 10.18287/JBPE25.11.020303

Abstract

IR spectra of intermolecular complexes of the main active components of cytoflavin: succinic acid, nicotinamide and inosine are analyzed. The study focuses on interpreting the absorption band maxima associated with hydrogen bonding between the key functional groups of cytoflavin’s constituents. The IR spectra were calculated using density functional theory (DFT) with the B3LYP functional, while experimental IR spectra were recorded using the SpectrumTwo FTIR spectrometer. The results showed that succinic acid has the ability to interact effectively with both one and two nicotinamide molecules by forming stable hydrogen bonds, whereas in complexes with inosine, the strength of the hydrogen bonds is weaker. This suggests that inosine acts as a cofactor to increase the overall stability of the complex.

Keywords

succinic acid; nicotinamide; inosine; cytoflavin; density functional theory; IR spectrum

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