Modification of PBDEs (BDE-15, BDE-47, BDE-85 and BDE-126) biological toxicity, bio-concentration, persistence and atmospheric long-range transport potential based on the pharmacophore modeling assistant with the full factor experimental design
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- 作者：Long Jianga ; b ; kaveykikiy@163.com" class="auth_mail" title="E-mail the corresponding author ; Yu Lia ; b ; liyuxx8@hotmail.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：Polybrominated diphenyl ethers ; Pharmacophore models ; Full factor experimental design ; Persistent organic pollutant properties ; Substituent characteristics
- 刊名：Journal of Hazardous Materials
- 出版年：2016
- 出版时间：15 April 2016
- 年：2016
- 卷：307
- 期：Complete
- 页码：202-212
- 全文大小：2612 K
文摘
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Four POP properties were simultaneously considered for regulation.
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A full factor environmental design was applied to a region in each PBDE to examine the substituent characteristics.
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Modified compounds based on the target PBDEs presented significant improvements in all four POP properties.
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The most important property among all of properties is the hydrophobic group.