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Quaternary ammonium compounds (QACs) are commonly used as disinfectants for industrial, medical, and residential applications. However, adverse health outcomes have been reported. Therefore, biocompatible disinfectants must be developed to reduce these adverse effects. In this context, QACs with various alkyl chain lengths (C12–C18) were synthesized by reacting QACs with the counterion silane. The antimicrobial activities of the novel compounds against four strains of microorganisms were assessed. Several in vivo assays were conducted on Drosophila melanogaster to determine the toxicological outcomes of Si-QACs, followed by computational analyses (molecular docking, simulation, and prediction of skin sensitization). The in vivo results were combined using a cheminformatics approach to understand the descriptors responsible for the safety of Si-QAC. Si-QAC-2 was active against all tested bacteria, with minimal inhibitory concentrations ranging from 13.65 to 436.74 ppm. Drosophila exposed to Si-QAC-2 have moderate-to-low toxicological outcomes. The molecular weight, hydrophobicity/lipophilicity, and electron diffraction properties were identified as crucial descriptors for ensuring the safety of the Si-QACs. Furthermore, Si-QAC-2 exhibited good stability and notable antiviral potential with no signs of skin sensitization. Overall, Si-QAC-2 (C14) has the potential to be a novel disinfectant. [Display omitted] • New silane quaternary ammonium disinfectants were synthesized. • The antimicrobial effect depends on alkyl chain length and the presence of silane. • Mutagenicity/genotoxicity were observed on low alkyl chain compounds. • From in vivo / in silico data one compound (Si-QAC2) was selected as a promising disinfectant. • In silico data detect crucial descriptors to guarantee the safety of Si-QAC. [ABSTRACT FROM AUTHOR]

Although the use of synthetic amorphous silica (SAS) is steady increasing, scarce information exists on its potential health risk. In particular few and conflictive data exist on its genotoxicity. To fill in this gap we have used Drosophila melanogaster as in vivo model test organism to detect the genotoxic activity of different SAS with different primary sizes (6, 15, 30 and 55 nm). The wing-spot assay and the comet assay in larvae haemocytes were used, and the obtained results were compared with those obtained with the microparticulated form (silicon dioxide). All compounds were administered to third instar larvae at concentrations ranging from 0.1 to 10 mM. No significant increases in the frequencies of mutant spots were observed in the wing-spot assay with any of the tested compounds. On the other hand, significant dose-dependent increases in the levels of primary DNA damage, measured by the comet assay, were observed for all the SAS evaluated but mainly when high doses (5 and 10 mM) were used. These in vivo results contribute to increase the database dealing with the potential genotoxic risk associated to SAS nanoparticles exposure. [ABSTRACT FROM AUTHOR]