MyExposome, Inc., Corvallis, OR, USA.
Environmental and Molecular Toxicology Department, Oregon State University, Corvallis, OR, USA.
J Expo Sci Environ Epidemiol. 2022 Mar;32(2):268-279. doi: 10.1038/s41370-021-00332-6. Epub 2021 May 5.
Silicone personal samplers are increasingly being used to measure chemical exposures, but many of these studies do not attempt to calculate environmental concentrations.
Using measurements of silicone wristband uptake of organic chemicals from atmospheric exposure, create log K and k predictive models based on empirical data to help develop air equivalency calculations for both volatile and semi-volatile organic compounds.
An atmospheric vapor generator and a custom exposure chamber were used to measure the uptake of organic chemicals into silicone wristbands under simulated indoor conditions. Log K models were evaluated using repeated k-fold cross-validation. Air equivalency was compared between best-performing models.
Log K and log k estimates calculated from uptake data were used to build predictive models from boiling point (BP) and other parameters (all models: R = 0.70-0.94). The log K models were combined with published data and refined to create comprehensive and effective predictive models (R: 0.95-0.97). Final estimates of air equivalency using novel BP models correlated well over an example dataset (Spearman r = 0.984) across 5-orders of magnitude (<0.05 to >5000 ng/L).
Data from silicone samplers can be translated into air equivalent concentrations that better characterize environmental concentrations associated with personal exposures and allow direct comparisons to regulatory levels.
硅树脂个人采样器越来越多地被用于测量化学暴露，但许多此类研究并未尝试计算环境浓度。
使用从大气暴露中测量的硅树脂腕带对有机化学品的摄取量，根据经验数据创建 log K 和 k 预测模型，以帮助开发挥发性和半挥发性有机化合物的空气等效计算。
使用大气蒸汽发生器和定制暴露室，在模拟室内条件下测量有机化学物质进入硅树脂腕带的吸收情况。使用重复 k 折交叉验证评估 log K 模型。比较最佳表现模型之间的空气等效性。
从摄取数据计算出的 log K 和 log k 估计值用于从沸点 (BP) 和其他参数构建预测模型（所有模型：R = 0.70-0.94）。log K 模型与已发表的数据结合并进行了改进，以创建全面有效的预测模型（R：0.95-0.97）。使用新的 BP 模型对空气等效性的最终估计在一个示例数据集上相关性很好（Spearman r = 0.984），跨越 5 个数量级（<0.05 至>5000ng/L）。
硅树脂采样器的数据可以转化为空气等效浓度，更好地描述与个人暴露相关的环境浓度，并允许与监管水平进行直接比较。
