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Background. A multicomponent evaluation of the oxidative consumption of salivary biomolecules by a tooth-whitening oral rinse preparation has been performed using high-resolution proton (1H) nuclear magnetic resonance spectroscopy (NMR). Methods. Unstimulated human saliva samples ( n = 12) were treated with aliquots of the oral rinse tested and 600 MHz 1H NMR spectra acquired on these samples demonstrated that hydrogen peroxide (H2O2) and/or peroxodisulphate (S2O8 2-) present in this product gave rise to the oxidative decarboxylation of the salivary electron-donor pyruvate (to acetate and CO2), and also oxidized methionine (a precursor to volatile sulphur compounds responsible for oral malodour), and malodourous trimethylamine to methionine sulphoxide and trimethylamine-N-oxide, respectively (reductions observed in the salivary concentrations of each biomolecular peroxide-scavenging agent were all extremely statistically significant, p < 0.005). Results. Experiments conducted on chemical model systems confirmed the consumption of pyruvate by this product, and also revealed that the amino acids cysteine and methionine were oxidatively transformed to cystine and methionine sulphoxide, respectively. Conclusions. High-field 1H NMR analysis provides much valuable molecular information regarding the fate of tooth-whitening oxidants in human saliva and permits an assessment of the mechanisms of action of oral healthcare products containing these agents. The biochemical and potential therapeutic significance of the results obtained are discussed. [ABSTRACT FROM AUTHOR]

Abstract: High-resolution 1H NMR spectroscopy demonstrated that addition of Co(II) ions to isolated human salivary supernatants (HSSs) gave rise to its complexation by a variety of biomolecules. The relative efficacies of these complexants/chelators in this context were classifiable by the influence of added Co(II) on their line-widths and chemical shift values, and also the added Co(II) concentration-dependence of these spectral modifications. Those which were most affected by the addition of this metal ion were lactate > formate ≈histidinate > succinate, this order reflecting the ability of these complexants to compete for the available Co(II) in terms of (1) thermodynamic equilibrium constants for the formation of their complexes and (2) their HSS concentrations. Since many of these HSS Co(II) complexants (particularly lactate, formate and histidine) serve as powerful OH scavengers, the results acquired indicate that any of this radical generated from the Co(II) source in such complexes via pseudo-Fenton reactions may be ‘site-specifically’ scavenged. The significance of these observations regarding the in vivo corrosion of cobalt-containing metal alloy dental prostheses (e.g., Co–Cr alloys), the availability of trace levels of this metal ion in human saliva, and cobalt toxicity, is discussed. [Copyright &y& Elsevier]