Facing billions of tons of pollutants entering the ocean each year, aquatic toxicity is becoming a crucial endpoint for evaluating chemical adverse effects on ecosystems. Notably, huge amount of toxic chemicals at environmental relevant doses can cause potential adverse effects. However, chronic aquatic toxicity effects of chemicals are much scarcer, especially at population level. Rotifers are highly sensitive to toxicants even at chronic low-doses and their communities are usually considered as effective indicators for assessing the status of aquatic ecosystems. Therefore, the no observed effect concentration (NOEC) for population abundance of rotifers were selected as endpoints to develop machine learning models for the prediction of chemical aquatic chronic toxicity. In this study, forty-eight binary models were built by eight types of chemical descriptors combined with six machine learning algorithms. The best binary model was 1D & 2D molecular descriptors – random trees model (RT) with high balanced accuracy (BA) (0.83 for training and 0.83 for validation set), and Matthews correlation coefficient (MCC) (0.72 for training set and 0.67 for validation set). Moreover, the optimal model identified the primary factors (SpMAD_Dzp, AMW, MATS2v) and filtered out three high alerting substructures [c1cc(Cl)cc1, CNCO, CCOP(=S)(OCC)O] influencing the chronic aquatic toxicity. These results showed that the compounds with low molecular volume, high polarity and molecular weight could contribute to adverse effects on rotifers, facilitating the deeper understanding of chronic toxicity mechanisms. In addition, forecast models had better performances than the common models embedded into ECOSAR software. This study provided insights into structural features responsible for the toxicity of different groups of chemicals and thereby allowed for the rational design of green and safer alternatives.

The aim of the present study was to assess the risks of four different pharmaceutical active compounds (PhACs; diazepam, metformin, omeprazole and simvastatin). Acute and chronic toxicities were studied using the bacterium Aliivibrio fischeri and the microalgae Pseudokirchneriella subcapitata; while the repellency and attractiveness were assessed by avoidance tests with juvenile Cypirinus carpio using a multi-compartmented exposure system. Omeprazole was found to be an acutely toxic drug (EC₅₀: 0.015 mg/L), while the other PhACs, except simvastatin, showed some chronic toxicity. Regarding avoidance, simvastatin and omeprazole induced an escape response for 50% of the fish population at 0.032 and 0.144 mg/L, respectively; contrarily, diazepam was attractive, even at lethal concentrations, representing a dangerous trap for organisms. The toxicity of the PhACs seemed not to be directly related to their repellency; and the mode of action seems to determine the repellency or attractiveness of the chemicals. Contamination by PhACs is of concern due to the environmental disturbance they might cause, either due to their acute and chronic toxicity (at the individual level), repellency (at the ecosystem level: loss of local biodiversity) or attraction to potentially lethal levels.

Thermal discharge and heatwaves under climate change may increase water temperature. In this study, the individual and combined effect of elevated temperature and cadmium (Cd) toxicity on somatic growth and reproduction of Daphnia magna was evaluated using a simplified dynamic energy budget model (DEBtox). The model predicted that the maximum body length (Lₘ) would be shorter (3.705 mm) at an elevated temperature of 25 °C than at 20 °C (3.974 mm), whereas the maximum reproduction rate (R˙m) would be higher at 25 °C (5.735) than at 20 °C (5.591). The somatic growth and reproduction of D. magna were significantly (p < 0.05) reduced with increasing Cd concentrations, and the reduction was greater at 25 than at 20 °C. Potentiation of Cd toxicity by elevated temperature was correctly simulated by assuming four toxicological modes of action influencing assimilation, somatic maintenance and growth, and reproduction. Overall, the population growth rate of D. magna was expected to decrease linearly with increasing Cd concentrations, and the decrease was expected to be higher at 25 than at 20 °C. These findings suggest a significant ecological risk of toxic metals at elevated temperature, with a mechanistic interpretation of the potentiation effect using a DEBtox modeling approach.

Several environmental pollutants, including pesticides, herbicides and persistent organic pollutants play an important role in the development of chronic diseases. However, most studies have examined environmental pollutants toxicity in target organisms or using a specific toxicological test, losing the real effect throughout the ecosystem. In this sense an integrative environmental risk of pollutants assessment, using different model organisms is necessary to predict the real impact in the ecosystem and implications for target and non-target organisms.The objective of this study was to use alachlor, a chloroacetanilide herbicide responsible for chronic toxicity, to understand its impact in target and non-target organisms and at different levels of biological organization by using several model organisms, including membranes of dipalmitoylphosphatidylcholine (DPPC), rat liver mitochondria, bacterial (Bacillus stearothermophilus), plant (Lemna gibba) and mammalian cell lines (HeLa and neuro2a).Our results demonstrated that alachlor strongly interacted with membranes of DPPC and interfered with mitochondrial bioenergetics by reducing the respiratory control ratio and the transmembrane potential. Moreover, alachlor also decreased the growth of B. stearothermophilus and its respiratory activity, as well as decreased the viability of both mammalian cell lines. The values of TC₅₀ increased in the following order: Lemna gibba < neuro2a < HeLa cells < Bacillus stearothermophilus. Together, the results suggest that biological membranes constitute a putative target for the toxic action of this lipophilic herbicide and point out the risks of its dissemination on environment, compromising ecosystem equilibrium and human health.

There is limited information regarding the toxicity of the trace element thallium (Tl) to aquatic biota, most of which assesses acute toxicity and bioaccumulation. The relative lack of chronic Tl toxicity data compromises the establishment of water quality criteria for this trace metal. In the presented work, chronic toxicity endpoints (final body weight (a proxy measure of growth), survival, and reproduction) and Tl body burden were measured in the freshwater crustacean Daphnia magna during a 21-day exposure to dissolved Tl. Thallium caused complete mortality in daphnids between exposure concentrations of 424 and 702 μg L⁻¹. In contrast with previously published work examining acute Tl toxicity, exposure to Tl for 21 days was not associated with changes in whole-body potassium concentration. This was despite a 710-fold increase in Tl body burden in animals exposed to 424 μg L⁻¹ relative to the control. Median effect concentrations (EC₅₀’s) for growth and reproduction (total neonates produced), were 1.6 (95% confidence interval: 1.0–3.1) and 11.1 (95% confidence interval: 5.5–21.8) μg Tl L⁻¹, respectively. A no observable effect concentration (NOEC) of 0.9 μg Tl L⁻¹ for growth, and a NOEC range of 0.9–83 μg Tl L⁻¹ for a variety of reproductive metrics, was measured. A lowest observable effect concentration (LOEC) of 8.8 μg Tl L⁻¹ was determined for the effects of Tl on growth and most of the reproductive endpoints examined. These data indicate that under controlled laboratory conditions D. magna is significantly less sensitive to Tl than the species on which the current Canadian Council of Ministers of the Environment regulatory guideline value of 0.8 μg L⁻¹ is based.

In ecological risk assessment, acute to chronic ratio (ACR) uncertainty factors are routinely applied to acute mortality benchmarks to estimate chronic toxicity thresholds. To investigate variability of aquatic ACRs, we first compiled and compared 56 and 150 pairs of acute and subchronic/chronic growth/reproductive toxicity data for fishes (Pimephales promelas (53), Danio rerio (2), and Oryzias latipes (1)) and the crustacean Daphnia magna, respectively, for 172 chemicals with different modes of action (MOA). We found that there were only significant relationships between P. promelas acute median lethal concentrations and growth lowest-observed effect concentrations for class 1 (nonpolar narcosis) chemicals, though significant relationships were demonstrated for D. magna to all Verhaar et al. MOA classes (Class 1: nonpolar narcosis, Class 2: polar narcosis, Class 3: reactive chemicals, and Class 4: AChE inhibitors and estrogenics). Probabilistic ecological hazard assessment using chemical toxicity distributions was subsequently employed for each MOA class to estimate acute and chronic thresholds, respectively, to identify MOA and species specific ecological thresholds of toxicological concern. Finally, novel MOA and species specific ACRs using both chemical toxicity distribution comparison and individual ACR probability distribution approaches were identified using representative MOA and chemical categories. Our data-driven approaches and newly identified ACR values represent robust alternatives to application of default ACR values, and can also support future research and risk assessment and management activities for other chemical classes when toxicity information is limited for chemicals with specific MOAs within invertebrates and fish.

The removal of antibiotics has attracted much attention due to their extremely high adverse impacts on the environment. However, the potential risks of degradation intermediates are seldom reported. In this work, the influence of different factors on the electro-catalytic degradation efficiency of tetracycline hydrochloride (TCH) by the prepared carbon nanotubes/agarose/indium tin oxide (CNTs/AG/ITO) electrode was investigated. Under optimal conditions (10 wt% CNTs dosage, pH = 7), the maximum degradation efficiency for TCH (10 mg L⁻¹) reached up to 96% within 30 min treatment with 4 V potential. Superoxide anions (•O₂⁻) played an important role in the electro-catalytic degradation. Totally 10 degradation intermediates were identified using HPLC-MS/MS, and the degradation pathway was proposed. Toxicities of the parent antibiotic and the identified intermediates were calculated using the ECOSAR (Ecological Structure Activity Relationship) program in EPISuite, and results showed that more toxic intermediates were generated. The maximal chronic toxicity for green algae of the intermediate increased 1439.92 times. Furthermore, antimicrobial activity was further verified by disk agar biocidal tests with Escherichia coli ATCC25922 and higher biotoxicity intermediates compared with parent compounds were confirmed to be formed. Therefore, more attention should be paid on the potential risk of degradation intermediates in the treatment of wastewater containing antibiotics.

This study aimed to investigate the effect of mono-(2-ethylhexyl) phthalate (MEHP), one of the major phthalate metabolites that are widespread in aquatic environments, on reproductive dysfunction, particularly on endocrine activity in adult male and female zebrafish. For 21 days, the zebrafish were exposed to test concentrations of MEHP (0, 2, 10, and 50 μg/mL) that were determined based on the effective concentrations (ECx) for zebrafish embryos. Exposure to 50 μg/mL MEHP in female zebrafish significantly decreased the number of ovulated eggs as well as the hepatic VTG mRNA abundance when those of the control group. Meanwhile, in female zebrafish, the biosynthetic concentrations of 17β-estradiol (E2) and the metabolic ratio of androgen to estrogen were remarkably increased in all MEHP exposed group compared with those in the control group, along with the elevated levels of cortisol. However, no significant difference was observed between these parameters in male zebrafishes. Therefore, exposure to MEHP causes reproductive dysfunction in female zebrafishes and this phenomenon can be attributed to the alteration in endocrine activities. Moreover, the reproductive dysfunction in MEHP-exposed female zebrafishes may be closely associated with stress responses, such as elevated cortisol levels. To further understand the effect of MEHP on the reproductive activities of fish, follow-up studies are required to determine the interactions between endocrine activities and stress responses. Overall, this study provides a response biomarker for assessing reproductive toxicity of endocrine disruptors that can serve as a methodological approach for an alternative to chronic toxicity testing.

Microplastics (<5 mm) are distributed ubiquitously in natural environments. The majority of microplastics in aquatic environments are shown to have rough surfaces due to various weathering processes (secondary microplastics; SMP), while laboratory studies predominantly utilise pristine microplastics (primary microplastics; PMP). Here we present the results from a study comparing the chronic effects of pristine PMP and artificially weathered SMP to three different Cladoceran species (Daphnia magna, Daphnia pulex, Ceriodaphnia dubia). We assessed the impact of PMP and SMP on reproductive output using various measured parameters, including time of first brood, size of first brood, size of first three broods, cumulative number of neonates, total number of broods and terminal length of test animals. Our results show that reproductive output of all species declined in a dose-dependent manner. The No Observed Effect Concentration (NOEC) was less than the lowest tested concentration (102 p/mL) for at least one measured endpoint for all species and both PMP and SMP. Further, it was inferred that species sensitivity varied inversely with body size for most endpoints, resulting in C. dubia being the most sensitive species; and D. magna being the least sensitive species under study. In addition, PMP appeared to have greater toxic potential as compared to SMP. This study is the first to directly compare the chronic toxicity of both pristine and weathered microplastic particles on three freshwater toxicological model organisms. Our results indicate that sensitivity in reproduction and growth to microplastics may differ between species and type of microplastic exposed; highlighting the importance of using multiple species and structural types of particles.

Integrated compensatory responses of physiological systems towards homeostasis are generally overlooked when it comes to analysing alterations in biochemical parameters indicative of such processes. Here an hypothesis-driven multivariate analysis accounting for interactive multibiomarker responses was used to investigate effects of long-term exposure of Carcinus maenas to Hazardous and Noxious Substances (HNS). Adult male crabs were exposed to low and high post-spill levels of acrylonitrile (ACN) or aniline (ANL) for 21d. Bioaccumulation, feeding behaviour, and biomarkers related to mode-of-action (MoA) (detoxification, neurotransmission and energy production) were evaluated over time. Distinct temporal patterns of response to low and high exposure concentrations were depicted, with a main set of interactive multibiomarker predictors identified for each HNS (five for ACN and three for ANL), useful to follow coupled evolvement of biomarker responses. ACN caused peripheral neurotoxic effects coupled with enhanced biotransformation and significant oxidative damage particularly relevant in gills. ANL elicited alterations in central neurotransmission affecting ventilation coupled with very low levels of oxidative damage in gills. Results indicate chronic toxicity data are determinant to improve HNS hazard assessment if the aim is to obtain reliable risk calculations, and develop effective predictive models avoiding overestimation but sufficiently protective. Accounting for multibiomarker interactions brought otherwise overlooked information about C. maenas responses and MoA of ACN and ANL.