Detection of Heavy Metal Contamination by Vibrational Spectroscopy: A Combined Theoretical and Experimental Study

Heavy metal infiltration into connective tissues remains a notable yet under-explored issue in biomaterials research. In this study, we employed Fourier Transform Infrared (FTIR) spectroscopy to investigate potential mercury-induced changes in dentin, with an emphasis on the attenuation of thiol (–SH) vibrational signatures as a key indicator. High-resolution spectra, combined with chemometric preprocessing, enabled the detection of subtle perturbations in sulfur-containing amino acid residues. A reduction in thiol band intensity tentatively suggests mercury interactions with sulfhydryl groups, implying possible disruptions in protein conformation and the dentin organic matrix. Small but consistent shifts in amide I and II regions further point to collateral effects on dentinal proteins. To minimize confounding factors, we utilized selective reference spectra and limited elemental mapping, supporting the specificity of these observed alterations to localized mercury presence. While the initial results indicate a correlation between mercury exposure and diminished thiol peaks, additional data and systematic validation are needed to confirm these findings and clarify their broader clinical significance.