title: Derivation of freshwater water quality criteria for dibutyltin dilaurate from measured data and data predicted using interspecies correlation estimate models.
abstract: Dibutyltin dilaurate (DBTL) is an organotin compound that has been widely detected in aquatic environments. However, the ecological risk assessment for DBTL is hard to perform due to the absence of water quality criteria (WQC) and lack of toxicity data. In this study, toxicity data were obtained from acute and chronic toxicity tests using aquatic species resident in China. Based on the species sensitivity distributions (SSDs) constructed from these test data, the acute water quality criterion (AWQC) and chronic water quality criterion (CWQC) were then derived to be 132 μg/L and 31.9 μg/L for DBTL. In order to valid the predicted data in the application to the protective criteria development and hazard assessment, the web-based interspecies correlation estimation (Web-ICE) system was used to estimate acute toxicities. Here two acute toxicity data groups for surrogate species were chosen from experimental data and QSAR Toolbox-predicted data separately, giving estimated data for prediction species using Web-ICE software. According to Kolmogorov-Smirnov test results, Web-ICE-based SSDs and measurement-based SSD were not significantly different. The results showed that the differences between measurement-based (132 μg/L) and Web-ICE-based AWQCs (39.7 μg/L and 58.5 μg/L) were statistically acceptable. Under certain conditions, it is therefore worth considering using the QSAR Toolbox plus Web-ICE method here to provide a beneficial supplement for developing preliminarily screen level toxicities in WQC when little or no relevant information are available. Besides, the geographic distribution of species was demonstrated not to be a significant factor in SSD establishment and WQC derivation.
authors.affiliation: Nanjing Institute of Environmental Sciences, Ministry of Environmental Protection, Nanjing 210042, China. Electronic address: 15195811701@163.com.
authors.forename: Shengxin
authors.initials: S
authors.lastname: Zhang
authors.affiliation: Nanjing Institute of Environmental Sciences, Ministry of Environmental Protection, Nanjing 210042, China. Electronic address: wanglei@nies.org.
authors.forename: Lei
authors.initials: L
authors.lastname: Wang
authors.affiliation: Nanjing Institute of Environmental Sciences, Ministry of Environmental Protection, Nanjing 210042, China. Electronic address: wangzhen@nies.org.
authors.forename: Zhen
authors.initials: Z
authors.lastname: Wang
authors.affiliation: Nanjing Institute of Environmental Sciences, Ministry of Environmental Protection, Nanjing 210042, China. Electronic address: fan_de_ling163@163.com.
authors.forename: Deling
authors.initials: D
authors.lastname: Fan
authors.affiliation: Nanjing Institute of Environmental Sciences, Ministry of Environmental Protection, Nanjing 210042, China. Electronic address: sll@nies.org.
authors.forename: Lili
authors.initials: L
authors.lastname: Shi
authors.affiliation: Nanjing Institute of Environmental Sciences, Ministry of Environmental Protection, Nanjing 210042, China. Electronic address: ljn@nies.org.
authors.forename: Jining
authors.initials: J
authors.lastname: Liu
mesh_terms: D000818:Animals; D059001:Aquatic Organisms / Q000187:drug effects; D002681:China; D005618:Fresh Water; D008962:Models, Theoretical; D009947:Organotin Compounds / Q000592:standards* / Q000633:toxicity; D013045:Species Specificity; D014874:Water Pollutants, Chemical / Q000592:standards* / Q000633:toxicity; D060753:Water Quality / Q000592:standards*
chemical_list: D009947:Organotin Compounds; D014874:Water Pollutants, Chemical; C010409:dibutyltin dilaurate
keywords: Aquatic quality criteria; Dibutyltin dilaurate; QSAR-Toolbox; Species sensitivity distribution; Web-based interspecies correlation estimations (Web-ICE)