10.1021/es403950y.s001
Zhijiang Lu
Zhijiang
Lu
Jay Gan
Jay
Gan
Isomer-Specific
Biodegradation of Nonylphenol in River
Sediments and Structure-Biodegradability Relationship
American Chemical Society
2014
19 NP isomers
NP isomers
sediment
2014-01-21 00:00:00
Dataset
https://acs.figshare.com/articles/dataset/Isomer_Specific_Biodegradation_of_Nonylphenol_in_River_Sediments_and_Structure_Biodegradability_Relationship/2330473
Nonylphenol
(NP), a well-known environmental estrogen with numerous
isomers, is frequently found in surface water and sediments. Recent
studies showed that NP isomers exhibited different estrogenicity.
However, at present little information is available on its isomer-specific
degradation in the bed sediment, which is the primary sink of NP in
surface aquatic systems. In this study, we investigated the biodegradability
of 19 NP isomers in two river sediments under oxic and anoxic conditions.
Under oxic conditions, the half-lives of NP isomers in an upper river
sediment ranged from 0.9 to 13.2 d. Under reduced conditions, the
persistence of NP isomers generally increased, with negligible dissipation
under strongly reduced conditions. In the well-aerated sediment, NP
isomers with short side chain and/or bulky α-substituents were
found to be more recalcitrant to degradation. Moreover, when a total
of 57 molecular descriptors were examined, the degree of branching
as quantified by <i>I</i><sub>DW</sub>bar was found to result
in the best linear correlation with half-lives of NP isomers (<i>R</i><sup>2</sup> = 0.88). These results indicated that the
isomer-specificity of NP in environmental processes should be considered,
and that simple molecular descriptors may be used to identify the
more recalcitrant isomers, thus allowing prioritization in the evaluation
of environmental fate and risks of NP isomers.