Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews

The metabolic fate and toxicokinetics of organic phosphorus flame retardants catalyzed by cytochrome P450 enzymes (CYPs) are here investigated by in silico simulations, leveraging an active center model to mimic the CYPs, triphenyl phosphate (TPHP), tris(2-butoxyethyl) phosphate and tris(1,3-dichloro-2-propyl) phosphate as substrates. Our calculations elucidated key main pathways and predicted products, which were corroborated by current in vitro data. Results showed that alkyl OPFRs are eliminated faster than aryl and halogenated alkyl-substituted OPFRs...

As the number of man-made chemicals increases at an unprecedented pace, efforts of quickly screening and accurately evaluating their potential adverse biological effects have been hampered by prohibitively high costs of in vivo/vitro toxicity testing. While it is unrealistic and unnecessary to test every uncharacterized chemical, it remains a major challenge to develop alternative in silico tools with high reliability and precision in toxicity prediction. To address this urgent need, we have developed a novel mode-of-action-guided, molecular modeling-based, and machine learning-enabled modeling approach for in silico chemical toxicity prediction...

Molecular imaging has been widely applied in preclinical research. Among these new molecular imaging modalities, microPET imaging can be utilized as a very powerful tool that can obtain the measurements of multiple biological processes in various organs repeatedly in a same subject. This review discusses how this new approach provides noninvasive biomarker for neurotoxicology research and summarizes microPET findings with multiple radiotracers on the variety of neurotoxicity induced by toxic agents in both the rodent and the nonhuman primate brain...

No abstract text is available yet for this article.

The polar and non-polar extracts from the authenticated wild mushroom Phylloporia ribis were separated by hydrophilic interaction liquid chromatography (HILIC) and by reverse phase (RP)-HPLC, respectively. A split valve separated the eluents into two fractions for free-radical scavenging analysis and for structural identification. Forty-six compounds showed scavenging activity of the stable-free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH). The structures of 8 antioxidants (inosine, caffeic acid, ergothioneine, p-hydroxybenzoic acid, adenosine, 3,4-dihydroxybenzaldehyde, apigenin, and naringenin) are characterized by Mass Spectrometer...

No abstract text is available yet for this article.

Noble metal nanoparticles (NPs) have been widely used in many consumer products. Their effects on the antioxidant activity of commercial dietary supplements have not been well evaluated. In this study, we examined the effects of gold (Au NPs), silver (Ag NPs), platinum (Pt NPs), and palladium (Pd NPs) on the hydroxyl radical (·OH) scavenging ability of three dietary supplements vitamin C (L-ascorbic acid, AA), (-)-epigallocatechin gallate (EGCG), and gallic acid (GA). By electron spin resonance (ESR) spin-trapping measurement, the results show that these noble metal NPs can inhibit the hydroxyl radical scavenging ability of these dietary supplements...

A toxicoproteomic study was performed on liver of rats treated with retrorsine (RTS), a representative hepatotoxic pyrrolizidine alkaloid at a toxic dose (140 mg/kg) known to cause severe acute hepatotoxicity. By comparing current data with our previous findings in mild liver lesions of rats treated with a lower dose of RTS, seven proteins and three toxicity pathways of vascular endothelial cell death, which was further verified by observed sinusoidal endothelial cell losses, were found uniquely associated with retrorsine-induced hepatotoxicity...

An improved method based on HPLC-TOF/MS was developed to catalog the antioxidants in five species of Chaenomeles (Mugua). Forty-four fractions from the Mugua extracts show appreciable levels of antioxidative activity in scavenging the stable free-radical 2,2-diphenyl-1-picrylhydrazyl and the hydroxyl radicals. Twelve major antioxidant's chemical structures are identified. Antioxidant activities differ between species, but intra-species level of antioxidants, regardless of their ripeness, are similar. C. sinensis has the highest antioxidant level...

Nanoparticles are used widely in our lives, but the understanding of their impacts on human and environmental health is still limited, at least due in part to the fact that nanoparticles are mixtures. This review describes that "nanotoxicity" is actually a test of the overall effect of a nanoparticle mixture: starting materials for nanoparticle preparation, surface coating agents, surface reaction-generated species, and transformed byproducts of the nanoparticle in biological and environmental media, as well as variations of the intrinsic nanoparticle structures...

Engineered nanomaterials may adversely impact human health and environmental safety by nano-bio-eco interactions not fully understood. Their interaction with biotic and abiotic environments are varied and complicated, ranging from individual species to entire ecosystems. Their behavior, transport, fate, and toxicological profiles in these interactions, addressed in a pioneering study, are subsequently seldom reported. Biological, chemical, and physical dimension properties, the so-called multidimensional characterization, determine interactions...

No abstract text is available yet for this article.

We introduce here ML4Tox, a framework offering Deep Learning and Support Vector Machine models to predict agonist, antagonist, and binding activities of chemical compounds, in this case for the estrogen receptor ligand-binding domain. The ML4Tox models have been developed with a 10 × 5-fold cross-validation schema on the training portion of the CERAPP ToxCast dataset, formed by 1677 chemicals, each described by 777 molecular features. On the CERAPP "All Literature" evaluation set (agonist: 6319 compounds; antagonist 6539; binding 7283), ML4Tox significantly improved sensitivity over published results on all three tasks, with agonist: 0...

Phthalates are widely used in polymer materials as a plasticizer. These compounds possess potent toxic variations depending on their chemical structures. However, a growing body of evidence indicates that phthalate compounds are undoubtedly discovered in secondary metabolites of organisms, including plants, animals and microorganisms. This review firstly summarizes biological sources of various phthalates and their bioactivities reported during the past few decades as well as their environmental toxicities and public health risks...

Aluminum (Al) toxicity is a major factor limiting plant productivity. The objective of the present study was to develop the mechanisms of boron (B) alleviating aluminum toxicity in citrus. The results showed that aluminum toxicity severely hampered root elongation. Interestingly, under aluminum exposure, boron supply improved superoxide dismutase activity while reducing peroxidase, catalase and polyphenol oxidase activities. Likewise, the contents of H2 O2 , lipid peroxidation, protein and proline in roots were markedly decreased by boron application under aluminum exposure...

Research on noble metal nanoparticles (NPs) able to scavenge reactive oxygen species (ROS) has undergone a tremendous growth recently. However, the interactions between ruthenium nanoparticles (Ru NPs) and ROS have never been systematically explored thus far. This research focused on the decomposition of hydrogen peroxide (H2 O2 ), scavenging of hydroxyl radicals (• OH), superoxide radical (O2 •- ), singlet oxygen (1 O2 ), 2,2'-azino-bis(3-ethylbenzenothiazoline- 6-sulfonic acid ion (ABTS•+ ), and 1,1-diphenyl-2-picrylhydrazyl radical (• DPPH) in the presence of commercial Ru NPs using the electron spin resonance technique...

Previously, we showed that oral application of the environmental pollutant dibenzo[a,l]pyrene (DB[a,l]P) induces oral tumors in mice. Thus, in the present investigation we examined the effect of alcohol on DB[a,l]P-induced DNA damage and immune regulation; we showed that alcohol (6.4% v/v in the diet, 35% of Calories) significantly enhanced the levels of (-)-anti-trans-DB[a,l]P-dA while decreased the levels of GSH in the mouse oral tissues. Analysis of RNA expression revealed that DB[a,l]P alone upregulates inflammatory genes while alcohol suppresses several markers of immune surveillance...

In February 2014 a new law was approved by the Israeli parliament, namely the Control of Animal Feed Law. The law intends to regulate the production and marketing of animal feed. In preparation for the law's implementation in 2017, we have assessed the current feed and food safety challenges in Israel in recent years in association with the presence of common undesirable contaminants in various common feed and food commodities. Tight collaboration between regulatory authorities and feed/food industry, enhanced feed and food quality monitoring, transparency of survey results and readily accessible and reliable information for the public about health hazards of chemical contaminants, will guarantee the safety and quality of food and feed...

Azo dyes have several industrial uses. However, these azo dyes and their degradation products showed mutagenicity, inducing damage in environmental and human systems. Computational methods are proposed as cheap and rapid alternatives to predict the toxicity of azo dyes. A benchmark dataset of Ames data for 354 azo dyes was employed to develop three classification strategies using knowledge-based methods and docking simulations. Results were compared and integrated with three models from the literature, developing a series of consensus strategies...

The consideration of inhalation and dermal routes of exposures in developing guideline values for drinking water contaminants is important. However, there is no guidance for determining the eligibility of a drinking water contaminant for its multiroute exposure potential. The objective of the present study was to develop a 4-step framework to screen chemicals for their dermal and inhalation exposure potential in the process of developing guideline values. The proposed framework emphasizes the importance of considering basic physicochemical properties prior to detailed assessment of dermal and inhalation routes of exposure to drinking water contaminants in setting guideline values...