自我们课题组2006年提出筛选和发现新型持久性有机污染物研究计划以来，相继从我国环境介质中发现溴代阻燃剂TBC、全氟碘烷类化合物PFIs、苯并三唑类紫外线吸收剂BZTs三大类11种新型污染物。本课题拟在前期工作基础上，结合定量结构效应-关系（QSPRs）等理论模型在快速筛选及高分辨质谱仪器在结构鉴定上的优势，从污水处理厂底泥等复杂环境介质中寻找尚未发现的潜在POPs污染物。通过我国常用化工产品数据库的建立和QSPRs模型对化合物物化性质的预测，将数据库中的化合物物化性质与POPs定义标准进行高通量比对；对复杂环境介质中非极性、极性等成分进行前处理预分离，结合模型预测得到的高符合度候选化合物，使用高分辨质谱鉴别其环境存在性；对鉴别存在的化合物进行污染区域实地调研，定量回答该化合物的区域分布、迁移和生物蓄积等环境行为是否符合POPs特征，从而为我国未知污染物的管理和控制提供基础数据。

Our research group begun researches on screening and identification of unknown contaminants with characteristics similar to typical persistent organic pollutants (POPs) since 2006, and eleven potential contaminants in three chemical categories have been identified in the environment in China, including an brominated flame retardant Tris-(2, 3-dibromopropyl) isocyanurate (TBC), Polyfluorinated Iodine Alkanes (PFIs) and Benzotriazole UV Stablizers (BZTs). In this project proposal, we aim to further develop a robust strategy combining the high-throughput screening features of quantitative structure-property relationship (QSPR) modeling and accurate molecular-structure information provided by high resolution mass spectrometry (HRMS), and try to identify unknown contaminants with POPs characteristics in complex environmental matrixes such as sewage sludge in wastewater treatment plant in China. By establishing database of commonly produced and used chemicals (CP&Us) in China and predicting the physical-chemical properties of CP&Us in the established database, characteristics of numbers of CP&Us could be matched with the POPs criterion quickly for checking persistent, bioaccumulation and long-range transport potentials. Besides, multiple compositions such as polar and non-polar components in complex matrixes could be previously separated by pretreatment processes, and HRMS could help identify the existence of the highly-matched candidates in the above model screening procedures. Moreover, a field research would be held in typical contamination sites and the monitoring data could help revealing whether the spatial distribution, transport and bioaccumulation behaviors of the identified contaminants could match the POPs criterion, and thus provide basic scientific data for managing and controlling unknown chemical contaminations in the environment in China.