Cyanobacterial blooms are a global ecological problem that directly threatens human health and crop safety. Cyanobacteria have toxic effects on aquatic microorganisms, which could drive the... Show moreCyanobacterial blooms are a global ecological problem that directly threatens human health and crop safety. Cyanobacteria have toxic effects on aquatic microorganisms, which could drive the selection for resistance genes. The effect of cyanobacterial blooms on the dispersal and abundance of antibiotic-resistance genes (ARGs) of concern to human health remains poorly known. We herein investigated the effect of cyanobacterial blooms on ARG composition in Lake Taihu, China. The numbers and relative abundances of total ARGs increased obviously during a Planktothrix bloom. More pathogenic microorganisms were present during this bloom than during a Planktothrix bloom or during the non-bloom period. Microcosmic experiments using additional aquatic ecosystems (an urban river and Lake West) found that a coculture of Microcystis aeruginosa and Planktothrix agardhii increased the richness of the bacterial community, because its phycosphere provided a richer microniche for bacterial colonization and growth. Antibiotic-resistance bacteria were naturally in a rich position, successfully increasing the momentum for the emergence and spread of ARGs. These results demonstrate that cyanobacterial blooms are a crucial driver of ARG diffusion and enrichment in freshwater, thus providing a reference for the ecology and evolution of ARGs and ARBs and for better assessing and managing water quality. Show less
It is a daunting challenge to predict toxicity and accumulation of rare earth metals (REMs) in different exposure scenarios (e.g., varying water chemistry and metal combinations). Herein, we... Show moreIt is a daunting challenge to predict toxicity and accumulation of rare earth metals (REMs) in different exposure scenarios (e.g., varying water chemistry and metal combinations). Herein, we investigated the toxicity and uptake of La and Ce in the presence of various levels of Ca, Mg, Na, K, and at different pH values, as well as the combined effects of La and Ce in wheat Triticum aestivum. Major cations (Ca2+ and Mg2+) significantly mitigated the toxicity and accumulation of La3+/Ce3+. Toxicity and uptake of La, Ce, and La-Ce mixtures could be well quantified by the multi-metal biotic ligand model (BLM) and by the Langmuir-type uptake model with the consideration of the competitive effects of Ca2+ and Mg2+, with more than 85.1% of variations explained. The derived binding constants of Ca, Mg, La, and Ce to wheat root were respectively 3.87, 3.59, 6.97, and 6.48 on the basis of toxicity data, and 3.23, 2.84, 6.07, and 5.27 on the basis of uptake data. The use of the alternative WHAM-F-tox approach, requiring fewer model parameters than the BLM but with similar Akaike information criterion (AIC) values, successfully predicted the toxicity and accumulation of La/Ce as well as toxicity of La-Ce mixtures, with at least 76.4% of variations explained. However, caution should be taken when using this approach to explain the uptake of La-Ce mixtures. Our results provided promising tools for delineating REMs toxicity/uptake in the presence of other toxicity-modifying factors or in mixture scenarios. Show less
Due to the large amount of chemical substances on the market, fast and reproducible screening is essential to prioritize chemicals for further evaluation according to highest concern. We here... Show moreDue to the large amount of chemical substances on the market, fast and reproducible screening is essential to prioritize chemicals for further evaluation according to highest concern. We here evaluate the performance of structural similarity models that are developed to identify potential substances of very high concern (SVHC) based on structural similarity to known SVHCs. These models were developed following a systematic analysis of the performance of 112 different similarity measures for varying SVHC-subgroups. The final models consist of the best combinations of fingerprint, similarity coefficient and similarity threshold, and suggested a high predictive performance (≥80%) on an internal dataset consisting of SVHC and non-SVHC substances. However, the application performance on an external dataset was not evaluated. Here, we evaluated the application performance of the developed similarity models with a 'pseudo-external assessment' on a set of substances (n = 60-100 for the varying SVHC-subgroups) that were putatively assessed as SVHC or non-SVHC based upon consensus scoring using expert elicitations (n = 30 experts). Expert scores were direct evaluations based on structural similarity to the most similar SVHCs according to the similarity models, and did not consider an extensive evaluation of available data. The use of expert opinions is particularly suitable as this is exactly the intended purpose of the chemical similarity models: a quick, reproducible and automated screening tool that mimics the expert judgement that is frequently applied in various screening applications. In addition, model predictions were analyzed via qualitative approaches and discussed via specific examples, to identify the model's strengths and limitations. The results indicate a good statistical performance for carcinogenic, mutagenic or reprotoxic (CMR) and endocrine disrupting (ED) substances, whereas a moderate performance was observed for (very) persistent, (very) bioaccumulative and toxic (PBT/vPvB) substances when compared to expert opinions. For the PBT/vPvB model, particularly false positive substances were identified, indicating the necessity of outcome interpretation. The developed similarity models are made available as a freely-accessible online tool. In general, the structural similarity models showed great potential for screening and prioritization purposes. The models proved to be effective in identifying groups of substances of potential concern, and could be used to identify follow-up directions for substances of potential concern. Show less
Functionalized high-aspect-ratio silver nanowires (AgNWs) have been recognized as one of the most promising alternatives for fabricating products, with their use ranging from electronic devices to... Show moreFunctionalized high-aspect-ratio silver nanowires (AgNWs) have been recognized as one of the most promising alternatives for fabricating products, with their use ranging from electronic devices to biomedical fields. Given concerns on the safety of AgNWs, there is an urgent need to investigate the relation between intrinsic properties of AgNWs and their toxicity. In this study, lettuce was exposed for either 6 or 18 d to different AgNWs to determine how the size/aspect ratio and coating of AgNWs affect the contributions of the dissolved and particulate Ag to the overall phytotoxicity and uptake kinetics. We found that the uncoated AgNW (39 nm diameter × 8.4 µm length) dissolved fastest of all AgNWs investigated. The phytotoxicity, uptake rate constants, and bioaccumulation factors of the PVP-coated AgNW (43 nm diameter × 1.8 µm length) and the uncoated AgNW (39 nm diameter × 8.4 µm length) were similar, and both were higher than that of the PVP-coated AgNW with the larger diameter(65 nm diameter × 4.4 µm length). These results showed that the diameter of the AgNWs predominantly affected toxicity and Ag accumulation in plants. Particulate Ag was found to be the predominant driver/descriptor of overall toxicity and Ag accumulation in the plants rather than dissolved Ag for all AgNWs tested. The relative contribution of dissolved versus particulate Ag to the overall effects was influenced by the exposure concentration and the extent of dissolution of AgNWs. This work highlights inherent particulate-dependent effects of AgNWs in plants and suggests that toxicokinetics should explicitly be considered for more nanomaterials and organisms, consequently providing more realistic input information for their environmental risk assessment. Show less
Chemistry describes transformation of matter with reaction equations and corresponding rate constants. However, accurate rate constants are not always easy to get. Here we focus on radical... Show moreChemistry describes transformation of matter with reaction equations and corresponding rate constants. However, accurate rate constants are not always easy to get. Here we focus on radical oxidation reactions. Analysis of over 500 published rate constants of hydroxyl radicals led us to hypothesize that a modified linear free-energy relationship (LFER) could be used to predict rate constants speedily, reliably and accurately. LFERs correlate the Gibbs activation-energy with the Gibbs energy of reaction. We calculated the latter as the sum of one-electron transfer and, if appropriate, proton transfer. We parametrized specific transition state effects to orbital delocalizability and the polarity of the reactant. The calculation time for 500 reactions is less than 8 hours on a standard desktop-PC. Rate constants were also calculated for hydrogen and methyl radicals; these controls show that the predictions are applicable to a broader set of oxidizing radicals. An accuracy of 30–40% (standard deviation) with reference to reported experimental values was found suitable for the screening of complex chemical systems for possibly relevant reactions. In particular, potentially relevant reactions can be singled out and scrutinized in detail when prioritizing chemicals for environmental risk assessment. Show less
Titanium dioxide nanoparticles (nano-TiO2) are widely used in consumer products, raising environmental and health concerns. An overview of the toxic effects of nano-TiO(2)on human and environmental... Show moreTitanium dioxide nanoparticles (nano-TiO2) are widely used in consumer products, raising environmental and health concerns. An overview of the toxic effects of nano-TiO(2)on human and environmental health is provided. A meta-analysis is conducted to analyze the toxicity of nano-TiO(2)to the liver, circulatory system, and DNA in humans. To assess the environmental impacts of nano-TiO2, aquatic environments that receive high nano-TiO(2)inputs are focused on, and the toxicity of nano-TiO(2)to aquatic organisms is discussed with regard to the present and predicted environmental concentrations. Genotoxicity, damage to membranes, inflammation and oxidative stress emerge as the main mechanisms of nano-TiO(2)toxicity. Furthermore, nano-TiO(2)can bind with free radicals and signal molecules, and interfere with the biochemical reactions on plasmalemma. At the higher organizational level, nano-TiO(2)toxicity is manifested as the negative effects on fitness-related organismal traits including feeding, reproduction and immunity in aquatic organisms. Bibliometric analysis reveals two major research hot spots including the molecular mechanisms of toxicity of nano-TiO(2)and the combined effects of nano-TiO(2)and other environmental factors such as light and pH. The possible measures to reduce the harmful effects of nano-TiO(2)on humans and non-target organisms has emerged as an underexplored topic requiring further investigation. Show less
