Exposure of Preconception Couples to Legacy and Emerging Per- and Polyfluoroalkyl Substances: Variations Within and Between Couples

Xiaotu Liu ◽  
Kai Luo ◽  
Jun Zhang ◽  
Hao Yu ◽  
Da Chen
2020 ◽  
Azhagiya Singam Ettayapuram Ramaprasad ◽  
Phum Tachachartvanich ◽  
Denis Fourches ◽  
Anatoly Soshilov ◽  
Jennifer C.Y. Hsieh ◽  

Perfluoroalkyl and Polyfluoroalkyl Substances (PFASs) pose a substantial threat as endocrine disruptors, and thus early identification of those that may interact with steroid hormone receptors, such as the androgen receptor (AR), is critical. In this study we screened 5,206 PFASs from the CompTox database against the different binding sites on the AR using both molecular docking and machine learning techniques. We developed support vector machine models trained on Tox21 data to classify the active and inactive PFASs for AR using different chemical fingerprints as features. The maximum accuracy was 95.01% and Matthew’s correlation coefficient (MCC) was 0.76 respectively, based on MACCS fingerprints (MACCSFP). The combination of docking-based screening and machine learning models identified 29 PFASs that have strong potential for activity against the AR and should be considered priority chemicals for biological toxicity testing.

2020 ◽  
Vol 1 (4) ◽  
Peizeng Yang ◽  
Yaye Wang ◽  
Junhe Lu ◽  
Viktor Tishchenko ◽  
Qingguo Huang ◽  

This study examined the degradation of perfluorooctanesulfonate (PFOS) in electrochemical oxidation (EO) processes in the presence of trichloroethylene (TCE). The EO experiment was performed in a gas-tight reactor using Magnéli phase titanium suboxide (Ti4O7) as the anode. The experimental data demonstrated that 75% of PFOS (2 μM) was degraded at 10 mA/cm2 current density in 30 min without TCE present in the solution, while the presence of 76 μM TCE apparently inhibited the degradation of PFOS, reducing its removal down to 53%. Defluorination ratio suggested that PFOS was significantly mineralized upon EO treatment, and it appeared to be not influenced by the presence of TCE. The respective pseudo-first order rate constants (kobs) of PFOS removal were 0.0471 and 0.0254 min-1 in the absence and presence of TCE. The degradation rates of both PFOS and TCE increased with current density rising from 2.5 to 20 mA/cm2. In the presence of TCE, chloride, chlorate, and perchlorate were formed that accounted for 79.7 %, 5.53%, and 1.51% of the total chlorine at 60 min. This work illustrates the promise of the Magnéli phase Ti4O7 electrode based electrochemical oxidation technology for degrading per- and polyfluoroalkyl substances (PFASs) and co-contaminants in groundwaters.

2021 ◽  
Vol 188 ◽  
pp. 116546
Charlie J. Liu ◽  
Timothy J. Strathmann ◽  
Christopher Bellona

2019 ◽  
Vol 127 (1) ◽  
pp. 014501 ◽  
Grace Patlewicz ◽  
Ann M. Richard ◽  
Antony J. Williams ◽  
Christopher M. Grulke ◽  
Reeder Sams ◽  

Guomao Zheng ◽  
Erika Schreder ◽  
Jennifer C. Dempsey ◽  
Nancy Uding ◽  
Valerie Chu ◽  

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