EVALUATION OF MOLECULAR INTERACTIONS OF VARIOUS ENDODONTIC IRRIGANTS USING PROTON NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY AND FOURIER TRANSFORM INFRARED SPECTROSCOPY

Kaval M. E., Baykara M., Uslu O., Kandemir Demirci G., Orhan E. O.

European Society of Endodontology 22nd biennial congress “Challenges, Opportunities and New perspectives in Endodontology” , Paris, Fransa, 3 - 06 Eylül 2025, sa.156, (Özet Bildiri)

  • Yayın Türü: Bildiri / Özet Bildiri
  • Basıldığı Şehir: Paris
  • Basıldığı Ülke: Fransa
  • Eskişehir Osmangazi Üniversitesi Adresli: Evet

Özet

AIM: to analyze the interactions between ethylenediaminetetraacetic acid (EDTA), citric acid (CA), glycolic

acid (GA), etidronic acid (HEDP) sodium hypochlorite (NaOCl) and chlorhexidine (CHX) utilizing

spectroscopic and chromatographic techniques.

Methodology: Experimental interactions were established using 17% EDTA, 17% GA, 17% CA, 17% HEDP,

along with 5.25% NaOCl and 2% CHX solutions. Proton (1H) and Carbon (13C) Nuclear Magnetic

Resonance Spectroscopy (NMR) were employed for characterization, adhering to pharmaceutical standards.

Functional bond alterations in organobiological compounds were analyzed using Fourier Transform Infrared

Spectroscopy (FT-IR). Metabolite structure changes following interactions were evaluated

chromatographically via Liquid Chromatography-Tandem Mass Spectrometry (LC-MS/MS). Hydrogen

potential measurements and data analysis were conducted (p<0.05).

Statistical analysis of hydrogen potential level changes revealed no significant difference in the

NaOCl+HEDP mixture compared to pure standards, while all other group comparisons showed significant

differences (p<0.05). Solid-phase precipitation reaction was not observed in the NaOCl interaction groups,

but physical precipitation occurred following CHX interactions with both EDTA and CA. Differences in peaks

and mass spectra for metabolite products were identified, with new metabolites being detailed through

LC-MS/MS. FT-IR analysis revealed carbon bond breaks in organocompaunds following interactions.

Changes in hydrogen bonds were demonstrated through NMR spectra.

Results: • Chemical interactions were observed between CHX and NaOCl solutions with the evaluated

chelating agents.

• Interactions between CHX or NaOCl with EDTA, GA, CA, and HEDP led to changes in precursor ionization,

solution polarization, or metabolite structures.

• Carbon bonds in EDTA and CA molecules broke during interactions with NaOCl or CHX, while minor

changes occurred in HEDP and GA.

• CHX molecule structure disintegrated during the interactions.