PubMed · 9919027
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N C Bitter. 1999. Bleaching agents.. https://doi.org/10.14219/jada.archive.1999.0011
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The objective of this study was to identify through quantum mechanical quantitative structure activity relationships (Q-QSARs) chemical structures in dental monomers that influence their mutagenicity. AMPAC, a semiempirical computer program that provides quantum mechanical information for chemical structures, was applied to three series of reference chemicals: a set of methacrylates, a set of aromatic and a set of aliphatic epoxy compounds. QSAR models were developed using this chemical information together with mutagenicity data (Salmonella TA 100, Ames Test). CODESSA, a QSAR program that calculates quantum chemical descriptors from information generated by AMPAC and statistically matches these descriptors with observed biological properties was used. QSARs were developed which had r2 values exceeding 0.90 for each study series. These QSARs were used to accurately predict the mutagenicity of BISGMA. a monomer commonly used in dentistry, and two epoxy monomers with developing use in dentistry, GY-281 and UVR-6105. The Q-QSAR quantum mechanical descriptors correctly predicted the level of mutagenicity for all three compounds. The descriptors in the correlation equation pointed to components of structure that may contribute to mutagenesis. The QSARs also provided 'dose windows' for testing mutagenicity, circumventing the need for extensive dose exploration in the laboratory. The Q-QSAR method promises an approach for biomaterials scientists to predict and avoid mutagenicity from the chemicals used in new biomaterial designs.
There is a considerable body of evidence to support the contention that the atmospheric Pb burden is now considerably greater than it was in the remote past. However, as there are a diversity of potential environmental pathways leading to Pb ingestion, it is not clear how atmospheric Pb levels relate to human exposure. It is necessary to establish a baseline for human exposure to Pb from natural sources in the pre-metallurgical past, with which contemporary exposure can be compared. This paper addresses this issue by comparing the Pb content of human dental enamel--an established proxy for Pb exposure--from modern and archaeological, pre-metallurgical individuals using thermal and plasma ionisation mass spectrometry. It is shown that mean Neolithic enamel Pb contents are approximately 0.31 +/- 0.04 ppm. These values are only one order of magnitude lower than previously reported data for the same tissues for modern juveniles, despite an established 400-fold increase in the atmospheric Pb burden. The results suggest that 'natural' exposure to Pb in food and water may have been higher than previously thought, and that the link between atmospheric Pb and human exposure warrants further investigation.
Determination of seven elements (Cu, Fe, Mg, Mn, Pb, Sr and Zn) in whole enamel and surface layers of extracted non-carious human teeth by FAAS, ETA AAS, ICP-AES and ICP-MS (Pb) is demonstrated. Techniques are described for obtaining whole enamel and its acid dissolution. Fifty microm width enamel layers from outer enamel surface to a 200 microm depth were successively etched in 1 mL of 3 M HClO4 for 3 min dissolution periods. Enamel samples were analyzed for populations under and over 20 years of age and enamel from Bronze Age teeth. Concentrations of microelements in the whole enamel and in the first surface layer (50 microm depth) were compared. With exception of Sr and Mg, all elements show significantly higher concentrations in the first layer than in whole enamel and higher concentration in teeth of individuals over 20 years, which demonstrate the cumulative effect of these elements. The Cu, Fe, Mn, Pb and Zn concentrations in four layers of erupted and non-erupted teeth decreased while Mg and Sr concentrations increased toward enamel-dentine junction. The concentrations of most elements were almost constant as they approached the 150 microm layer. This concentration gradient may result from interaction between saliva and teeth and supports the hypothesis that the surface de- and re-mineralization process is effective at most to 150 microm from the enamel surface.