Liver toxicity of quantum dots varies with size, concentration, and other structural as well as experimental parameters. For modeling hepatotoxicity, the eclectic data associated with cadmium containing quantum dots have been used in the creation of quasiSMILES for their representation. The core diameter is normalized for wider applicability and the index of the ideality of correlation is applied to construct the better quantitative features toxicity relationship models. Total eight splits are created and the best model is obtained through split 1 with better prediction criteria of validation set objects. The values of all statistical criteria used in the quality determination of a QSAR model are within the specified range for all the eight toxicity models developed here. Factors like TGA ligand and 0.6-0.7 nm diameter are favorable for liver toxicity while L-cysteine ligand and 0.5-0.6 nm core diameter are helpful in the reduction of toxicity. Further, the intelligent consensus modeling process forms a total of 40 individual and 20 consensus models and the best individual and consensus models are \'Good\' in MAE-based criteria. The consensus modeling enhances the prediction ability as well as the accuracy of the developed models and increases the applicability space of the built models for hepatotoxicity prediction of quantum dots.

The assessment of cytotoxicity of quantum dots is very essential for environmental and health risk analysis. In the present work we have modelled HeLa cell cytotoxicity of sixty one CdSe quantum dots with ZnS shell as a function of its experimental conditions and molecular construction using quasiSMILES representations. The index of ideality of correlation helps in the building of ten statistically significant models having good fitting ability with value of R2 ranging from 0.8414 to 0.9609 for the training set. The split 5 model is rated as the best model with values of R2, Q2F1, Q2F2 and Q2F3 as 0.8964, 0.8267, 0.8264 and 0.8777 respectively for the calibration set. The extraction of features causing increase and decrease of cytotoxicity of quantum dots indicates importance of neutral surface charge, surface modified with protein, 72 h exposure time, combination of MTT assay with surface protein in decreasing the cytotoxicity. Amphiphilic polymer, polyol ligand with neutral charge, 0.5 - 0.6 nm quantum dot diameter with lipid ligand and unmodified positively charged surface are grouped in toxicity enhancer features. Further, consensus modelling using split 5 and 8 patterns enhances the prediction quality by increasing the R2val to 0.9361 and 0.9656 respectively.

Nanometals are manufactured to particle sizes with diameters in the nanometer range and are included in a variety of consumer and health products. There is a lack of information regarding potential effects of these materials on aquatic organisms. Amphibians are regarded as environmental sentinels and demonstrate an exquisite sensitivity to thyroid hormone action, a hormone that is essential for human health. This present study assessed the effect of exposure to nanometals on stress and thyroid hormone signaling in frog tissue using a cultured tail fin biopsy (C-fin) assay derived from Rana catesbeiana tadpoles. The C-fin assay maintains tissue complexity and biological replication while multiple chemical responses can be assessed from the same individual. We tested the ability of nanosilver (0.06 μg/L-5.5 mg/L), quantum dots (0.25 μg/L-22 mg/L), and nanozinc oxide (0.19-10 mg/L) to alter gene expression in the presence or absence of 3,3\',5\'-triiodothyronine (T(3)) using quantitative real-time polymerase chain reaction. Results were compared to exposure to micrometer-silver, silver nitrate, and micrometer-cadmium telluride. Nanosilver (≥2.75 mg/L) and quantum dots (≥0.22 mg/L) altered the expression of transcripts linked to T(3)- and stress-mediated pathways, while nanozinc oxide had no effect. Lower concentrations of nanosilver (0.6 to 550 μg/L) perturbed T(3)-mediated signaling while not inducing cell stress. The observed effects were orders of magnitude below acute toxicity levels and occurred at or below the current North American water quality guidelines for metals, underscoring the need for evaluating nanoparticles separately from their constituent chemicals.