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Newly Identified Semivolatile Organic Chemicals in Deciduous Tooth Crowns

机译：新鉴定的乳牙冠中的半挥发性有机化学物质

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Most prior studies of semivolatile organic chemicals (SVOC) in pulverized teeth have investigated specific targeted chemicals using chromatographic methods with comparison to analytical standards of these chemicals. We applied a more exploratory approach to identify previously unstudied SVOC which sequester in teeth. This was accomplished using two-dimensional gas chromatography time-of-flight mass spectrometry (GCxGC-TOF MS) to tentatively identify the mass spectra of semivolatile compounds present in a pulverized shed tooth crown from six children. We then verified the tentative identifications, quantified the confirmed concentrations in the teeth against analytical standards of some of those compounds, and tabulated important physical-chemical properties of the confirmed chemicals which were stored in these teeth. Many of the confirmed compounds found by GCxGC-TOF MS in the six teeth are used in consumer products, including sunscreens (benzophenone, homosalate, oxybenzone), the widely-used antibacterial triclosan and it photo-degradation product 2,4-dichlorophenol, the flame retardant triphenyl phosphate, the plasticizer dibutyl phthalate, the teething analgesic benzocaine, the widely-used antioxidant butylated hydroxytoluene, and benzyl benzoate. The confirmed SVOC possess great diversity in melting and boiling points, octanol-water partition coefficient (log Kow), vapor pressure, Henry's law constant, and dissociation constants, suggesting that numerous SVOC in the circulation possess properties amenable to tooth sequestration.
机译：以前，大多数有关粉状牙齿中半挥发性有机化学物质（SVOC）的研究已经使用色谱方法与这些化学物质的分析标准进行了比较，研究了特定的目标化学物质。我们采用了一种更具探索性的方法来确定以前未被研究的，SVOC螯合在牙齿中的情况。这是通过使用二维气相色谱飞行时间质谱仪（GCxGC-TOF MS）初步确定了来自六个孩子的粉状脱落牙冠中存在的半挥发性化合物的质谱图来完成的。然后，我们验证了初步鉴定结果，根据某些化合物的分析标准对牙齿中确定的浓度进行了量化，并列出了存储在这些牙齿中的已确认化学物质的重要物理化学性质。由GCxGC-TOF MS在六颗牙齿中发现的许多已确认的化合物都用于消费产品，包括防晒霜（二苯甲酮，高纯酸盐，氧苯酮），广泛使用的抗菌三氯生及其光降解产物2,4-二氯苯酚，阻燃剂磷酸三苯酯，增塑剂邻苯二甲酸二丁酯，出牙止痛苯佐卡因，广泛使用的抗氧化剂丁基化羟基甲苯和苯甲酸苄酯。证实的SVOC在熔点和沸点，辛醇-水分配系数（log Kow），蒸气压，亨利定律常数和解离常数方面具有很大的差异，这表明循环中的许多SVOC具有适合于牙齿螯合的特性。

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