Investigation on the relationship between bioconcentration factor and distribution coefficient based on class-based compounds: The factors that affect bioconcentration

Wang, Yu; Wen, Yuezhong; Li, Jin J.; He, Jia; Qin, Wei C.; Su, Li Ming; Zhao, Yuan H.

doi:10.1016/j.etap.2014.07.003

Cited by 30 publications

(14 citation statements)

References 24 publications

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“…The hydrophobicity is the principal driving force of bioconcentration for these organic chemicals to fish. Linear relationships have been observed between log BCF and log K OW for many neutral hydrophobic organic compounds in fish bioconcentration [ 37 ]. This indicates that log BCF can well be predicted from log K OW for most of neutral hydrophobic organic compounds.…”

Section: Discussionmentioning

confidence: 99%

“…The uptake phase should run for 28 days unless it can be demonstrated that equilibrium has been reached earlier [ 38 ]. The uptake times of highly hydrophobic chemicals from water can be even longer [ 37 ]. The insufficiency of exposure duration can lead to the acute toxicities being very different from the sub-acute or chronic toxicities for a chemical to the studied species.…”

Section: Discussionmentioning

confidence: 99%

“…The bioconcentration potentials of hydrophilic compounds (e.g. log K OW < 0) are significantly under-estimated from the linear log BCF- log K OW equation [ 37 , 39 ]. At lower K OW , the BCF does not continue to decrease with decreasing log K OW because of internal water/external water partitioning.…”

Section: Discussionmentioning

confidence: 99%

“…However, some chemicals can be ionized in the toxicity test with more than 50% ionization at the studied pH ( Table 1 ). Investigation on the bioconcentration for ionizable compounds shows that although non-ionized form makes main contribution to BCF, the ionized form also makes partly contribution to BCF [ 37 ]. In other words, the apparent/true BCF of an ionizable compound should be less than the predicted BCF developed from neutral compounds.…”

Section: Discussionmentioning

confidence: 99%

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Comparison of Toxicities to Vibrio fischeri and Fish Based on Discrimination of Excess Toxicity from Baseline Level

Wang

Huang

et al. 2016

PLoS ONE

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Investigations on the relationship of toxicities between species play an important role in the understanding of toxic mechanisms to environmental organisms. In this paper, the toxicity data of 949 chemicals to fish and 1470 chemicals to V. fischeri were used to investigate the modes of action (MOAs) between species. The results show that although there is a positive interspecies correlation, the relationship is poor. Analysis on the excess toxicity calculated from toxic ratios (TR) shows that many chemicals have close toxicities and share the same MOAs between the two species. Linear relationships between the toxicities and octanol/water partition coefficient (log KOW) for baseline and less inert compounds indicate that the internal critical concentrations (CBRs) approach a constant both to fish and V. fischeri for neutral hydrophobic compounds. These compounds share the same toxic mechanisms and bio-uptake processes between species. On the other hand, some hydrophilic compounds exhibit different toxic effects with greatly different log TR values between V. fischeri and fish species. These hydrophilic compounds were identified as reactive MOAs to V. fischeri, but not to fish. The interspecies correlation is improved by adding a hydrophobic descriptor into the correlation equation. This indicates that the differences in the toxic ratios between fish and V. fischeri for these hydrophilic compounds can be partly attributed to the differences of bioconcentration between the two species, rather than the differences of reactivity with the target macromolecules. These hydrophilic compounds may more easily pass through the cell membrane of V. fischeri than the gill and skin of fish, react with the target macromolecules and exhibit excess toxicity. The compounds with log KOW > 7 exhibiting very low toxicity (log TR < –1) to both species indicate that the bioconcentration potential of a chemical plays a very important role in the identification of excess toxicity and MOAs.

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Section: Discussionmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

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Comparison of Toxicities to Vibrio fischeri and Fish Based on Discrimination of Excess Toxicity from Baseline Level

Wang

Huang

et al. 2016

PLoS ONE

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“…The barrier of algal cell membranes can obstruct the bio‐uptake of long chain compounds and large compounds with log K OW > 6, resulting in the outliers with log(TR) < −1. Investigation on the bioconcentration in fish shows that highly hydrophobic (e.g., log K OW > 6) and long chain compounds cannot easily pass through the physical barrier of organisms , leading to the bioconcentration factor (BCF) being over‐estimated from the linear prediction model (i.e., log(BCF) = 0.6598 log K OW − 0.333). Although this observation is based on the relationship of log(BCF) − log K OW in fish, the lower toxicity to both fish and algae for long chain and highly hydrophobic compounds suggests that algal cell membranes can obstruct compounds entering the cells, leading to their observed toxicity being much lower than the predicted baseline toxicity.…”

Section: Resultsmentioning

confidence: 99%

Comparison of Chemical Toxicity to Different Algal Species Based on Interspecies Correlation, Species Sensitivity, and Excess Toxicity

Wang

et al. 2016

CLEAN Soil Air Water

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Although algal toxicity is species dependent, it is not clear if compounds share the same modes of action (MOAs) among algal species. Investigations on the algal toxicity to six species show that Pseudokirchneriella subcapitata is the most sensitive species and its toxicity is significantly related to Dunaliella tertiolecta toxicity, but relates poorly to other algal species. The excess toxicity calculated from a baseline model shows that most of the compounds share the same MOAs among different species, but some share different MOAs. Anilides show excess toxicity to P. subcapitata, but not to other species; they are predicted as reactive compounds to P. subcapitata, but narcotics to other algal species. On the other hand, although hydroxyquinones and phenylureas show greater toxicity to P. subcapitata than to any other algal species, they are predicted as reactive compounds to all algal species because of excess toxicity to all species. Development of any quantitative structure-activity relationship model should be based on a single algal species because algal toxicity is species dependent. Several outliers have been observed, such as acids and highly hydrophobic chemicals with long chains. Their toxicities are over-estimated from linear baseline models because of over-estimated logK OW for ionized acids and obstruction of algal cell membranes for long chain compounds.

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Bioremediation of Microalgae-Based Pesticides

Martínez-Burgos,

Pozzan,

da Silva Vale

et al. 2024

Environmental Science and Engineering

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Investigation on the relationship between bioconcentration factor and distribution coefficient based on class-based compounds: The factors that affect bioconcentration

Cited by 30 publications

References 24 publications

Comparison of Toxicities to Vibrio fischeri and Fish Based on Discrimination of Excess Toxicity from Baseline Level

Comparison of Toxicities to Vibrio fischeri and Fish Based on Discrimination of Excess Toxicity from Baseline Level

Comparison of Chemical Toxicity to Different Algal Species Based on Interspecies Correlation, Species Sensitivity, and Excess Toxicity

Bioremediation of Microalgae-Based Pesticides

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