@article{Liu-2020-Key,
title = "Key Physicochemical Properties Dictating Gastrointestinal Bioaccessibility of Microplastics-Associated Organic Xenobiotics: Insights from a Deep Learning Approach",
author = {Liu, Xinlei and
Gharasoo, Mehdi and
Shi, Yu and
Sigmund, Gabriel and
H{\"u}ffer, Thorsten and
Lin, Xin and
Wang, Yongfeng and
Ji, Rong and
Hofmann, Thilo and
Chen, Wei},
journal = "Environmental Science {\&} Technology, Volume 54, Issue 19",
volume = "54",
number = "19",
year = "2020",
publisher = "American Chemical Society (ACS)",
url = "https://gwf-uwaterloo.github.io/gwf-publications/G20-37001",
doi = "10.1021/acs.est.0c02838",
pages = "12051--12062",
abstract = "A potential risk from human uptake of microplastics is the release of plastics-associated xenobiotics, but the key physicochemical properties of microplastics controlling this process are elusive. Here, we show that the gastrointestinal bioaccessibility, assessed using an in vitro digestive model, of two model xenobiotics (pyrene, at 391-624 mg/kg, and 4-nonylphenol, at 3054-8117 mg/kg) bound to 18 microplastics (including pristine polystyrene, polyvinyl chloride, polyethylene terephthalate, polypropylene, thermoplastic polyurethane, and polyethylene, and two artificially aged samples of each polymer) covered wide ranges: 16.1-77.4{\%} and 26.4-83.8{\%}, respectively. Sorption/desorption experiments conducted in simulated gastric fluid indicated that structural rigidity of polymers was an important factor controlling bioaccessibility of the nonpolar, nonionic pyrene, likely by inducing physical entrapment of pyrene in porous domains, whereas polarity of microplastics controlled bioaccessibility of 4-nonylphenol, by regulating polar interactions. The changes of bioaccessibility induced by microplastics aging corroborated the important roles of polymeric structures and surface polarity in dictating sorption affinity and degree of desorption hysteresis, and consequently, gastrointestinal bioaccessibility. Variance-based global sensitivity analysis using a deep learning neural network approach further revealed that micropore volume was the most important microplastics property controlling bioaccessibility of pyrene, whereas the O/C ratio played a key role in dictating the bioaccessibility of 4-nonylphenol in the gastric tract.",
}
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<abstract>A potential risk from human uptake of microplastics is the release of plastics-associated xenobiotics, but the key physicochemical properties of microplastics controlling this process are elusive. Here, we show that the gastrointestinal bioaccessibility, assessed using an in vitro digestive model, of two model xenobiotics (pyrene, at 391-624 mg/kg, and 4-nonylphenol, at 3054-8117 mg/kg) bound to 18 microplastics (including pristine polystyrene, polyvinyl chloride, polyethylene terephthalate, polypropylene, thermoplastic polyurethane, and polyethylene, and two artificially aged samples of each polymer) covered wide ranges: 16.1-77.4% and 26.4-83.8%, respectively. Sorption/desorption experiments conducted in simulated gastric fluid indicated that structural rigidity of polymers was an important factor controlling bioaccessibility of the nonpolar, nonionic pyrene, likely by inducing physical entrapment of pyrene in porous domains, whereas polarity of microplastics controlled bioaccessibility of 4-nonylphenol, by regulating polar interactions. The changes of bioaccessibility induced by microplastics aging corroborated the important roles of polymeric structures and surface polarity in dictating sorption affinity and degree of desorption hysteresis, and consequently, gastrointestinal bioaccessibility. Variance-based global sensitivity analysis using a deep learning neural network approach further revealed that micropore volume was the most important microplastics property controlling bioaccessibility of pyrene, whereas the O/C ratio played a key role in dictating the bioaccessibility of 4-nonylphenol in the gastric tract.</abstract>
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%0 Journal Article
%T Key Physicochemical Properties Dictating Gastrointestinal Bioaccessibility of Microplastics-Associated Organic Xenobiotics: Insights from a Deep Learning Approach
%A Liu, Xinlei
%A Gharasoo, Mehdi
%A Shi, Yu
%A Sigmund, Gabriel
%A Hüffer, Thorsten
%A Lin, Xin
%A Wang, Yongfeng
%A Ji, Rong
%A Hofmann, Thilo
%A Chen, Wei
%J Environmental Science & Technology, Volume 54, Issue 19
%D 2020
%V 54
%N 19
%I American Chemical Society (ACS)
%F Liu-2020-Key
%X A potential risk from human uptake of microplastics is the release of plastics-associated xenobiotics, but the key physicochemical properties of microplastics controlling this process are elusive. Here, we show that the gastrointestinal bioaccessibility, assessed using an in vitro digestive model, of two model xenobiotics (pyrene, at 391-624 mg/kg, and 4-nonylphenol, at 3054-8117 mg/kg) bound to 18 microplastics (including pristine polystyrene, polyvinyl chloride, polyethylene terephthalate, polypropylene, thermoplastic polyurethane, and polyethylene, and two artificially aged samples of each polymer) covered wide ranges: 16.1-77.4% and 26.4-83.8%, respectively. Sorption/desorption experiments conducted in simulated gastric fluid indicated that structural rigidity of polymers was an important factor controlling bioaccessibility of the nonpolar, nonionic pyrene, likely by inducing physical entrapment of pyrene in porous domains, whereas polarity of microplastics controlled bioaccessibility of 4-nonylphenol, by regulating polar interactions. The changes of bioaccessibility induced by microplastics aging corroborated the important roles of polymeric structures and surface polarity in dictating sorption affinity and degree of desorption hysteresis, and consequently, gastrointestinal bioaccessibility. Variance-based global sensitivity analysis using a deep learning neural network approach further revealed that micropore volume was the most important microplastics property controlling bioaccessibility of pyrene, whereas the O/C ratio played a key role in dictating the bioaccessibility of 4-nonylphenol in the gastric tract.
%R 10.1021/acs.est.0c02838
%U https://gwf-uwaterloo.github.io/gwf-publications/G20-37001
%U https://doi.org/10.1021/acs.est.0c02838
%P 12051-12062
Markdown (Informal)
[Key Physicochemical Properties Dictating Gastrointestinal Bioaccessibility of Microplastics-Associated Organic Xenobiotics: Insights from a Deep Learning Approach](https://gwf-uwaterloo.github.io/gwf-publications/G20-37001) (Liu et al., GWF 2020)
ACL
- Xinlei Liu, Mehdi Gharasoo, Yu Shi, Gabriel Sigmund, Thorsten Hüffer, Xin Lin, Yongfeng Wang, Rong Ji, Thilo Hofmann, and Wei Chen. 2020. Key Physicochemical Properties Dictating Gastrointestinal Bioaccessibility of Microplastics-Associated Organic Xenobiotics: Insights from a Deep Learning Approach. Environmental Science & Technology, Volume 54, Issue 19, 54(19):12051–12062.
