Combined Toxic Effects of Polar and Nonpolar Chemicals on Human Hepatocytes (HepG2) Cells by Quantitative Property - Activity Relationship Modeling

Abstract

We determined the toxicity of mixtures of ethyl acetate (EA), isopropyl alcohol (IPA), methyl ethyl ketone (MEK), toluene (TOL) and xylene (XYL) with half-maximal effective concentration (EC50) values obtained using human hepatocytes cells. According to these data, quantitative property-activity relationships (QPAR) models were successfully proposed to predict the toxicity of mixtures by multiple linear regressions (MLR). The leave-one-out cross validation method was used to find the best subsets of descriptors in the learning methods. Significant differences in physico-chemical properties such as boiling point (BP), specific gravity (SG), Reid vapor pressure (rVP) and flash point (FP) were observed between the single substances and the mixtures. The EC50 of the mixture of EA and IPA was significantly lower than that of contained TOL and XYL. The mixture toxicity was related to the mixing ratio of MEK, TOL and XYL (MLR equation EC50 = 3.3081 − 2.5018 × TOL − 3.2595 × XYL − 12.6596 × MEK × XYL), as well as to BP, SG, VP and FP (MLR equation EC50 = 1.3424 + 6.2250 × FP − 7.1198 × SG × FP − 0.03013 × rVP × FP). These results suggest that QPAR-based models could accurately predict the toxicity of polar and nonpolar mixtures used in rotogravure printing industries.

Toxicity and Hazards of Biodegradable and Non-Biodegradable Sunscreens to Aquatic Life of Quintana Roo, Mexico

“…The sensitivity of the zooplankton species studied ranged between LC 50 values of 1.00E-01 g/L and 6.7E+00 g/L. It is important to stress that the evaluated toxicity refers to the mixture of components present in one single formula, and the adverse effects of a single chemical may not be captured, or it can be altered, owing to interactions between chemicals and the physiochemical properties of the substances in the solution [29,30]. Consequently, the toxicity of sunscreen was difficult to assess during the exposure tests, because the complexity of the sunscreens typically include a combination of oxybenzone, avobenzone, octisalate, octocrylene (OCT), homosalate and octinoxate, and other substances.…”

Volatile Organic Compounds in Anatomical Pathology Wards: Comparative and Qualitative Assessment of Indoor Airborne Pollution

“…Moreover, low concentrations of complex mixtures of VOCs may increase the risk of sick building symptoms (SBS) in workers [ 15 ], causing irritation of the eyes, skin, respiratory tract, central nervous system, and viscera [ 16 ]. The synergic interaction between VOCs and different chemical structure and physico-chemical properties can alter pharmacokinetics processes, including their absorption, distribution, metabolism, and excretion, inducing toxicity [ 17 ]. For all these reasons, monitoring levels and composition of the new pollutants mixture would be beneficial in order to evaluate their effects on human health.…”