Insights into pesticide toxicity against aquatic organism: QSTR models on Daphnia Magna

He, Lujue; Xiao, Keya; Zhou, Cong; Li, Guanglong; Yang, Hong-Chang; Li, Zhong; Cheng, Jiagao

doi:10.1016/j.ecoenv.2019.02.014

Cited by 54 publications

(14 citation statements)

References 49 publications

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“…The general population may be exposed to pesticide residues in foods and drinking water [ 5 ]. The agrochemical toxicity to non-target aquatic organisms is an important part of chemical ecological risk management [ 6 ]. In water bodies, pesticides are exposed to aquatic organisms in mixtures varying in composition over time [ 7 ].…”

Section: Introductionmentioning

confidence: 99%

Multiple Screening of Pesticides Toxicity in Zebrafish and Daphnia Based on Locomotor Activity Alterations

et al. 2020

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Pesticides are widely used to eradicate insects, weed species, and fungi in agriculture. The half-lives of some pesticides are relatively long and may have the dire potential to induce adverse effects when released into the soil, terrestrial and aquatic systems. To assess the potential adverse effects of pesticide pollution in the aquatic environment, zebrafish (Danio rerio) and Daphnia magna are two excellent animal models because of their transparent bodies, relatively short development processes, and well-established genetic information. Moreover, they are also suitable for performing high-throughput toxicity assays. In this study, we used both zebrafish larvae and water flea daphnia neonates as a model system to explore and compare the potential toxicity by monitoring locomotor activity. Tested animals were exposed to 12 various types of pesticides (three fungicides and 9 insecticides) for 24 h and their corresponding locomotor activities, in terms of distance traveled, burst movement, and rotation were quantified. By adapting principal component analysis (PCA) and hierarchical clustering analysis, we were able to minimize data complexity and compare pesticide toxicity based on locomotor activity for zebrafish and daphnia. Results showed distinct locomotor activity alteration patterns between zebrafish and daphnia towards pesticide exposure. The majority of pesticides tested in this study induced locomotor hypo-activity in daphnia neonates but triggered locomotor hyper-activity in zebrafish larvae. According to our PCA and clustering results, the toxicity for 12 pesticides was grouped into two major groups based on all locomotor activity endpoints collected from both zebrafish and daphnia. In conclusion, all pesticides resulted in swimming alterations in both animal models by either producing hypo-activity, hyperactivity, or other changes in swimming patterns. In addition, zebrafish and daphnia displayed distinct sensitivity and response against different pesticides, and the combinational analysis approach by using a phenomic approach to combine data collected from zebrafish and daphnia provided better resolution for toxicological assessment.

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Section: Introductionmentioning

confidence: 99%

Multiple Screening of Pesticides Toxicity in Zebrafish and Daphnia Based on Locomotor Activity Alterations

et al. 2020

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“…QSPR employs regression statistics using algorithms, such as artificial neural networks, ( Deeb et al, 2011 ; Song et al, 2017 ), machine learning ( Bushdid et al, 2018 ; Cheng and Ng, 2019 ; Zheng et al, 2019 ), and partial least square ( Deeb et al, 2011 ; T. Stanton, 2012 ), with predictive variables usually selected from a few thousand molecular descriptors based on mathematical and statistical tools ( Mansouri et al, 2018 ; Lee et al, 2019 ; Fioressi et al, 2020 ). A large number of articles related to QSPR were published per year and QSPR has gained importance in a wide range of fields, such as drug design, pesticide design, and environmental toxicology ( Roy et al, 2018 ; Yang et al, 2018 ; Zhu et al, 2018 ; He et al, 2019 ; Khan et al, 2019 ; Zhu et al, 2020a ). For example, predicting the ADME/Tox of drug candidates before synthesis can significantly reduce the cost and time of drug development and increase the success rate ( Cheng et al, 2013 ; Dickson et al, 2017 ; Zhu et al, 2018 ).…”

Section: Introductionmentioning

confidence: 99%

Thermodynamics-Based Model Construction for the Accurate Prediction of Molecular Properties From Partition Coefficients

2021

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Developing models for predicting molecular properties of organic compounds is imperative for drug development and environmental safety; however, development of such models that have high predictive power and are independent of the compounds used is challenging. To overcome the challenges, we used a thermodynamics-based theoretical derivation to construct models for accurately predicting molecular properties. The free energy change that determines a property equals the sum of the free energy changes (ΔGFs) caused by the factors affecting the property. By developing or selecting molecular descriptors that are directly proportional to ΔGFs, we built a general linear free energy relationship (LFER) for predicting the property with the molecular descriptors as predictive variables. The LFER can be used to construct models for predicting various specific properties from partition coefficients. Validations show that the models constructed according to the LFER have high predictive power and their performance is independent of the compounds used, including the models for the properties having little correlation with partition coefficients. The findings in this study are highly useful for applications in drug development and environmental safety.

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“…Because of the characteristics of easy cultivation, short life cycle and high sensitivity to pollutants, D. magna is a good model organism for the evaluation of aquatic environment pollution (He et al, 2019;Tkaczyk et al, 2021). D. magna has been used to assess the acute toxic effects of MTP or CTP (Yang et al, 2017), while many adverse effects are not well characterized.…”

Section: Introductionmentioning

confidence: 99%

Combined Toxicity and Toxicity Persistence of Antidepressants Citalopram and Mirtazapine to Zooplankton Daphnia Magna

Dong

et al. 2021

Preprint

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Citalopram (CTP) and mirtazapine (MTP) are two typical psychoactive drugs used for the depression treatment. As emerging pollutants, CTP and MTP has been given widely concern because they are active substances for organisms. Therefore, the ecotoxicological risks of aquatic organisms should be paid more attention to. In this study, the effects of CTP and MTP on the feeding behavior, heartbeat, nutritional enzymes and related gene transcriptions of Daphnia magna were investigated under single and mixed environmental stress. Meanwhile, the recovery of exposed D. magna was studied to analyze the toxic persistence of those pollutants. After 24-hexposure, the ingestion rate decreased by 34.2% and 21.5%, in the group of C-H and Mix-H respectively. After 24-h recovery, the feeding behavior of D. magna was stimulated by compensatory stimulation. In exposure period, the heartbeat rate of D. magna increased by 132.3%, 69%, 111.9%, 139.4%, and 92.4%, in the group of C-L, C-H, M-L, M-H and Mix-L respectively, and was recovered during the recovery period. The activity of α-amylase (AMS) and trypsin were significantly changed in most of the exposed daphnia, both in the exposure period and recovery period. CTP/MTP exposure stimulated transcription of the α-amylase gene. M-H and Mix-H exposure inhibited transcription of the trypsin gene and other stimulated transcriptions. After 24-h recovery, the stimulative or inhibitory effects were alleviated. There were different responses between gene transcription and enzyme activity. In conclusion, our results highlighted the toxic effects of single and mixed pollution of CTP and MTP on feeding, heartbeat, enzymes and genes of D. magna.

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Insights into pesticide toxicity against aquatic organism: QSTR models on Daphnia Magna

Cited by 54 publications

References 49 publications

Multiple Screening of Pesticides Toxicity in Zebrafish and Daphnia Based on Locomotor Activity Alterations

Multiple Screening of Pesticides Toxicity in Zebrafish and Daphnia Based on Locomotor Activity Alterations

Thermodynamics-Based Model Construction for the Accurate Prediction of Molecular Properties From Partition Coefficients

Combined Toxicity and Toxicity Persistence of Antidepressants Citalopram and Mirtazapine to Zooplankton Daphnia Magna

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