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

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https://read.qxmd.com/read/30821199/deep-learning-for-predicting-toxicity-of-chemicals-a-mini-review
#1
Weihao Tang, Jingwen Chen, Zhongyu Wang, Hongbin Xie, Huixiao Hong
Humans and wildlife inhabit a world with panoply of natural and synthetic chemicals. Alarmingly, only a limited number of chemicals have undergone comprehensive toxicological evaluation due to limitations of traditional toxicity testing. High-throughput screening assays provide a higher-speed alternative for conventional toxicity testing. Advancement of high-throughput bioassay technology has greatly increased chemical toxicity data volumes in the past decade, pushing toxicology research into a "big data" era...
March 1, 2019: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
https://read.qxmd.com/read/30633647/computational-prediction-models-for-assessing-endocrine-disrupting-potential-of-chemicals
#2
Sugunadevi Sakkiah, Wenjing Guo, Bohu Pan, Rebecca Kusko, Weida Tong, Huixiao Hong
Endocrine disrupting chemicals (EDCs) mimic natural hormones and disrupt endocrine function. Humans and wildlife are exposed to EDCs might alter endocrine functions through various mechanisms and lead to an adverse effects. Hence, EDCs identification is important to protect the ecosystem and to promote the public health. Leveraging in-vitro and in-vivo experiments to identify potential EDCs is time consuming and expensive. Hence, quantitative structure-activity relationship is applied to screen the potential EDCs...
January 11, 2019: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
https://read.qxmd.com/read/30628866/a-review-on-machine-learning-methods-for-in-silico-toxicity-prediction
#3
Gabriel Idakwo, Joseph Luttrell, Minjun Chen, Huixiao Hong, Zhaoxian Zhou, Ping Gong, Chaoyang Zhang
In silico toxicity prediction plays an important role in the regulatory decision making and selection of leads in drug design as in vitro/vivo methods are often limited by ethics, time, budget, and other resources. Many computational methods have been employed in predicting the toxicity profile of chemicals. This review provides a detailed end-to-end overview of the application of machine learning algorithms to Structure-Activity Relationship (SAR)-based predictive toxicology. From raw data to model validation, the importance of data quality is stressed as it greatly affects the predictive power of derived models...
January 10, 2019: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
https://read.qxmd.com/read/30628533/machine-learning-models-for-predicting-endocrine-disruption-potential-of-environmental-chemicals
#4
Marco Chierici, Marco Giulini, Nicole Bussola, Giuseppe Jurman, Cesare Furlanello
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...
January 10, 2019: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
https://read.qxmd.com/read/30601677/intrinsic-catalytic-activity-of-rhodium-nanoparticles-with-respect-to-reactive-oxygen-species-scavenging-implication-for-diminishing-cytotoxicity
#5
Gao-Juan Cao, Yingmei Chen, Xiaohe Chen, Peilin Weng, Rong-Guang Lin
Noble metal nanoparticles (NPs) and their hybrids have demonstrated a strong potential to mimic the catalytic activity of natural enzymes and diminish oxidative stress. There is a large space to explore the intrinsic catalytic activity of Rh NPs with respect to reactive oxygen species (ROS) scavenging. We found that Rh NPs can quench H2 O2 , • OH, O2 •- , 1 O2 and inhibit lipid peroxidation under physiological conditions. In vitro cell experiments proved that Rh NPs have great biocompatibility and protect cells from oxidative damage caused by H2 O2 ...
January 2, 2019: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
https://read.qxmd.com/read/30596334/polycyclic-aromatic-hydrocarbons-as-a-potential-source-of-carcinogenicity-of-mate
#6
Ebele Oranuba, Hua Deng, Jiangnan Peng, Sanford M Dawsey, Farin Kamangar
Drinking mate, an infusion of the herb ilex paraguariensis, is very common in several South American countries, and has been associated with an increased risk of esophageal cancer. This increased risk may be attributed to drinking mate very hot, or to mate's potentially carcinogenic contaminants, such as polycyclic aromatic hydrocarbons (PAHs). Mate leaves are often dried via smoking, and therefore commercial samples may have high amounts of PAHs. We found 10 original articles that had measured PAHs in commercial dry samples, and nearly all found very high mass fractions...
December 30, 2018: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
https://read.qxmd.com/read/30596330/enhanced-generation-of-reactive-oxygen-species-and-photocatalytic-activity-by-pt-based-metallic-nanostructures-the-composition-matters
#7
Lixia Zhang, Huimin Jia, Chuang Liu, Minying Liu, Qingbo Meng, Weiwei He
The modification of semiconductor nanostructures with metallic nanocomponents can promote the separation of electron/hole from photoexited semiconductors by forming heterojunctions, thus exhibit enhanced photocatalytic activities and potential applications. In this study, Pt-based NPs, including Pt, PtCu, and PtCuCo are employed as model co-catalysts to comparatively study their capability to enhance the photocatalytic activity of TiO2 nanosheets. It was found that each of Pt, PtCu, and PtCuCo can greatly enhance the photocatalytic activity of TiO2 toward degradation of organic dyes...
December 30, 2018: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
https://read.qxmd.com/read/30457030/quantum-chemical-simulations-revealed-the-toxicokinetic-mechanisms-of-organic-phosphorus-flame-retardants-catalyzed-by-p450-enzymes
#8
Zhiqiang Fu, Jingwen Chen, Yong Wang, Huixiao Hong, Hongbin Xie
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...
November 20, 2018: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
https://read.qxmd.com/read/30426823/target-specific-toxicity-knowledgebase-tstkb-a-novel-toolkit-for-in-silico-predictive-toxicology
#9
Yan Li, Gabriel Idakwo, Sundar Thangapandian, Minjun Chen, Huixiao Hong, Chaoyang Zhang, Ping Gong
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...
November 14, 2018: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
https://read.qxmd.com/read/30199343/application-of-molecular-imaging-technology-in-neurotoxicology-research
#10
Xuan Zhang, Qi Yin, Marc Berridge, Che Wang
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...
September 10, 2018: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
https://read.qxmd.com/read/30199333/mechanistic-ecotoxicology-and-environmental-toxicology
#11
William H Tolleson
No abstract text is available yet for this article.
September 10, 2018: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
https://read.qxmd.com/read/30199329/boron-inhibits-aluminum-induced-toxicity-to-citrus-by-stimulating-antioxidant-enzyme-activity
#12
Lei Yan, Muhammad Riaz, Xiuwen Wu, Chenqing Du, Yalin Liu, Bo Lv, Cuncang Jiang
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...
September 10, 2018: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
https://read.qxmd.com/read/29667505/a-comprehensive-screening-shows-that-ergothioneine-is-the-most-abundant-antioxidant-in-the-wild-macrofungus-phylloporia-ribis-ryvarden
#13
Hengqiang Zhao, Minmin Zhang, Qian Liu, Xiaoli Wang, Ruixuan Zhao, Yanling Geng, Tityee Wong, Shengbo Li, Xiao Wang
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...
April 3, 2018: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
https://read.qxmd.com/read/29667504/mechanistic-biomarkers-of-liver-toxicity-and-carcinogenesis
#14
William H Tolleson
No abstract text is available yet for this article.
April 3, 2018: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
https://read.qxmd.com/read/29667503/effects-of-noble-metal-nanoparticles-on-the-hydroxyl-radical-scavenging-ability-of-dietary-antioxidants
#15
Hui Zhang, Xiumei Jiang, Gaojuan Cao, Xiaowei Zhang, Timothy R Croley, Xiaochun Wu, Jun-Jie Yin
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...
April 3, 2018: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
https://read.qxmd.com/read/29667502/toxicoproteomic-assessment-of-liver-responses-to-acute-pyrrolizidine-alkaloid-intoxication-in-rats
#16
Yan-Hong Li, William Chi-Shing Tai, Imran Khan, Cheng Lu, Yao Lu, Wing-Yan Wong, Wood-Yee Chan, Wen-Luan Wendy Hsiao, Ge Lin
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...
April 3, 2018: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
https://read.qxmd.com/read/29336723/chemical-characterization-and-evaluation-of-the-antioxidants-in-chaenomeles-fruits-by-an-improved-hplc-tof-ms-coupled-to-an-on-line-dpph-hplc-method
#17
Minmin Zhang, Ruixuan Zhao, Siduo Zhou, Wei Liu, Yan Liang, Zhiguo Zhao, Shengbo Li, Xiao Wang, Tityee Wong, Hengqiang Zhao
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...
January 2, 2018: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
https://read.qxmd.com/read/29313413/nanoparticles-considered-as-mixtures-for-toxicological-research
#18
REVIEW
Hua Deng, Ying Zhang, Hongtao Yu
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...
January 2, 2018: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
https://read.qxmd.com/read/29297743/toxicity-of-engineered-nanomaterials-mediated-by-nano-bio-eco-interactions
#19
REVIEW
Xiaojia He, Peter Fu, Winfred G Aker, Huey-Min Hwang
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...
January 2, 2018: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
https://read.qxmd.com/read/30444179/organism-derived-phthalate-derivatives-as-bioactive-natural-products
#20
Huawei Zhang, Yi Hua, Jianwei Chen, Xiuting Li, Xuelian Bai, Hong Wang
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...
2018: Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews
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