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Ionic liquids (ILs) are considered as an alternative to traditional organic solvents due to their unique physical and chemical properties. On the one hand, they have promising solvating characteristics, on the other hand, they are considered as environmentally friendly "green" solvents. Recent studies of ILs toxicity however questioned the safety of ILs.

Inorganic nanomaterials have become one of the new areas of modern knowledge and technology and have already found an increasing number of applications. However, some nanoparticles show toxicity to living organisms, and can potentially have a negative influence on environmental ecosystems. While toxicity can be determined experimentally, such studies are time consuming and costly. Computational toxicology can provide an alternative approach and there is a need to develop methods to reliably assess Quantitative Structure-Property Relationships for nanomaterials (nano-QSPRs). Importantly, development of such models requires careful collection and curation of data. This article overviews freely available nano-QSPR models, which were developed using the Online Chemical Modeling Environment (OCHEM). Multiple data on toxicity of nanoparticles to different living organisms were collected from the literature and uploaded in the OCHEM database. The main characteristics of nanoparticles such as chemical composition of nanoparticles, average particle size, shape, surface charge and information about the biological test species were used as descriptors for developing QSPR models. QSPR methodologies used Random Forests (WEKA-RF), k-Nearest Neighbors and Associative Neural Networks. The predictive ability of the models was tested through cross-validation, giving cross-validated coefficients q = 0.58-0.80 for regression models and balanced accuracies of 65-88% for classification models. These results matched the predictions for the test sets used to develop the models. The proposed nano-QSPR models and uploaded data are freely available online at http://ochem.eu/article/103451 and can be used for estimation of toxicity of new and emerging nanoparticles at the early stages of nanomaterial development.

Metal-organic frameworks (MOFs) demonstrate unique properties, which are prospective for drug delivery, catalysis, and gas separation, but their biomedical applications might be limited due to their obscure interactions with the environment and humans. It is important to understand their toxic effect on nature before their wide practical application. In this study, HKUST-1 nanoparticles (Cu-nanoMOF, Cu3(btc)2, btc = benzene-1,3,5-tricarboxylate) were synthesized by the microwave (MW)-assisted ionothermal method and characterized by X-ray powder diffraction (XRD) and transmission electron microscopy (TEM) techniques. The embryotoxicity and acute toxicity of HKUST-1 towards embryos and adult zebrafish were investigated. To gain a better understanding of the effects of Cu-MOF particles towards Danio rerio (D. rerio) embryos were exposed to HKUST-1 nanoparticles (NPs) and Cu2+ ions (CuSO4). Cu2+ ions showed a higher toxic effect towards fish compared with Cu-MOF NPs for D. rerio. Both forms of fish were sensitive to the presence of HKUST-1 NPs. Estimated LC50 values were 2.132 mg/L and 1.500 mg/L for zebrafish embryos and adults, respectively. During 96 h of exposure, the release of copper ions in a stock solution and accumulation of copper after 96 h were measured in the internal organs of adult fishes. Uptake examination of the major internal organs did not show any concentration dependency. An increase in the number of copper ions in the test medium was found on the first day of exposure. Toxicity was largely restricted to copper release from HKUST-1 nanomaterials structure into solution.

Addition of capping agents like surfactants and polymers during the synthesis of nanoparticles may affect the stability and toxicity of dispersions of nanoparticles. This study revealed the impact of anionic, cationic, and amphoteric surfactants and a cationic polymer on the physical and chemical properties, stability and behavior of silver nanomaterials, as well as on the toxicity of nanosized silver particles with respect to zebrafish embryos. Some of the stabilizers applied were shown to significantly affect embryos of Danio rerio. Colloidal dispersions of stabilized silver nanoparticles were demonstrated to induce a complex mechanism of toxicity with respect to embryos of D. rerio, which is mainly explained by the toxicity of the organic ligand, while other parameters are somewhat inferior. The newly generated data on the toxicity of nanoparticles and their stabilizers with respect to D. rerio embryos reveal the complexity of the toxicity mechanism of nanoparticles impacting living systems. ARTICLE HISTORY

The use of different nanoparticles (NPs) is growing every year since discoveries of their unique properties. The wide use of nanomaterials has raised concerns about their safety and possible accumulation in the aquatic environment. Mussels are being considered as one of the most suitable organisms for bioaccumulation monitoring. Within our study, we focused on developing the method that can be applied in field studies of ecotoxicity and can be nondestructive and informative at early times of exposure, while at the same time being based on changes of physiological parameters of fresh water mussels. The changes in the cardiovascular and neural systems of mollusks (Anodonta anatina and Unio tumidus) were measured as biomarkers of toxic effects. Different monometallic and bimetallic NPs, silicon NPs with various ligands were applied as test substances. Changes in cardiovascular and neural functions were in good correlation with accumulation tests for all tested NPs.

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Surface modification of nanoparticles with different stabilizers is one of the most widely used methods to improve their stability and applicability. Silver nanoparticle (AgNPs) dispersions with biologically active stabilizers have great potential as plant protection products with synergetic antimicrobial properties and sufficient stability in terms of field application. The obtained AgNPs dispersions have the ability to enhance growth, increase yield and give better protection to various crops. At the same time, it is important to determine the fate, stability, and ecotoxicity of the applied nanosized products. The toxic effects of AgNPs dispersions and their constituents, organic stabilizers and additives, were evaluated using a phenotypic sea urchin embryo assay. Certain AgNPs dispersions with organic stabilizers demonstrated sufficient stability, even in seawater. The toxicity of the AgNPs decreased with the increasing tendency to agglomerate in seawater. Furthermore, the applied stabilizers were hazardous towards sea urchin embryos. They caused pronounced embryo abnormalities at 0.25–2.6 mg/L concentrations. AgNPs exhibited a lethal effect at concentrations that were equal to the MLC or exceeded the MEC of their stabilizers. Silver ions were more toxic towards sea urchin embryos than AgNPs.