First report on development of quantitative interspecies structure-carcinogenicity relationship models and exploring discriminatory features for rodent carcinogenicity of diverse organic chemicals using OECD guidelines

Different regulatory agencies in food and drug administration and environmental protection worldwide are employing quantitative structure-activity relationship (QSAR) models to fill the data gaps related with properties of chemicals affecting the environment and human health. Carcinogenicity is a toxicity endpoint of major concern in recent times. Interspecies toxicity correlations may provide a tool for estimating sensitivity towards toxic chemical exposure with known levels of uncertainty for a diversity of wildlife species. In this background, we have developed quantitative interspecies structure-carcinogenicity correlation models for rat and mouse [rodent species according to the Organization for Economic Cooperation and Development (OECD) guidelines] based on the carcinogenic potential of 166 organic chemicals with wide diversity of molecular structures, spanning a large number of chemical classes and biological mechanisms. All the developed models have been assessed according to the OECD principles for the validation of QSAR models. Consensus predictions for carcinogenicity of the individual compounds are presented here for any one species when the data for the other species are available. Informative illustrations of the contributing structural fragments of chemicals which are responsible for specific carcinogenicity endpoints are identified by the developed models. The models have also been used to predict mouse carcinogenicities of 247 organic chemicals (for which rat carcinogenicities are present) and rat carcinogenicities of 150 chemicals (for which mouse carcinogenicities are present). Discriminatory features for rat and mouse carcinogenicity values have also been explored.     

Distribution of improved cook stoves: analysis of field experiments using strategic niche management theory

Close to three billion people globally and over 800 million in India are dependent on direct combustion of unprocessed solid biomass fuels in inefficient traditional mud stoves. Current cooking practices, besides causing serious health problems, are also being linked to emissions of climate change and pollution agents such as black carbon and ozone precursors. In India several initiatives have been taken up to tackle the problem but the present trajectory of limited technical and social change in cooking energy use is nonetheless persistent in rural areas. In order to develop and scale up alternative cooking technology options, we have analyzed, using the principles of strategic niche management, two projects implemented by The Energy and Resources Institute (TERI) in nine villages in India. The assessment, while highlighting reasons for stability of the current cooking regime, also points to triggers that can destabilize the regime. The focus is also on assessing the influence of protection in the form of subsidies on the process of transition. User preferences relating to social and technical aspects have been analyzed, pointing to forced draft cookstoves as the preferred option notwithstanding cost reductions to address affordability concerns. The assessment indicates that while it is critically important to understand and address the preferences of users and to improve the technology, scaling up will depend on stove cost reduction through further research. Creativity in effective financing schemes and support structures put in place by fostering public–private partnerships are also needed.     

Catalytic pyrolysis of car tire waste using expanded perlite

In this study, the non-catalytic and catalytic pyrolysis experiments were conducted on the sample of tire waste using expanded perlite as an additive material to determine especially the effect of temperature and catalyst-to-tire ratio on the products yields and the compositions and qualities of pyrolytic oils (NCPO and CPO). Non-catalytic studies, which were carried out under the certain conditions (a nitrogen flow of 100 mL/min and a heating rate of 10 °C/min), showed that the highest yield of pyrolytic oil (NCPO) was 60.02 wt.% at 425 °C. Then, the catalytic pyrolysis studies were carried out at catalyst-to-tire ratio range of 0.05-0.25 and the highest catalytic pyrolytic oil (CPO) yield was 65.11 wt.% at the ratio of 0.10 with the yield increase of 8.48 wt.% compared with the non-catalytic pyrolysis. Lastly, the pyrolytic oils were characterized with applying a various techniques such as elemental analyses and various chromatographic and spectroscopic techniques (GC-MS, ¹H NMR, FT-IR, etc.). The characterization results revealed that the pyrolytic oils which were complex mixtures of C₅-C₁₅ organic compounds (predominantly aromatic compounds) and also the CPO compared to the NCPO was more similar to conventional fuels in view of the certain fuel properties.     

Toxicity of hexahydro-1,3,5-trinitro-1,3,5-triazine to larval zebrafish (Danio rerio)

Hexahydro-1,3,5-trinitro-1,3,5-triazine, a cyclonitramine commonly known as RDX, is used in the production of military munitions. Contamination of soil, sediment, and ground and surface waters with RDX has been reported in different places around the world. Acute and subacute toxicities of RDX have been relatively well documented in terrestrial vertebrates, but among aquatic vertebrates the information available is limited. The objective of this study was to characterize the acute toxicity of RDX to larval zebrafish. Mortality (LC50) and incidence of vertebral column deformities (EC50) were two of the end points measured in this study. The 96-h LC50 was estimated at 22.98 and 25.64 mgl(-1) in two different tests. The estimated no-observed-effective-concentration (NOEC) values of RDX on lethality were 13.27+/-0.05 and 15.32+/-0.30 mgl(-1); and the lowest-observed-effective-concentration (LOEC) values were 16.52+/-0.05 and 19.09+/-0.23 mgl(-1) in these two tests, respectively. The 96-h EC50 for vertebral deformities on survivors from one of the acute lethality tests was estimated at 20.84 mgl(-1), with NOEC and LOEC of 9.75+/-0.34 and 12.84+/-0.34 mgl(-1), respectively. Behavioral aberrations were also noted in this acute toxicity study, including the occurrence of whirling movement and lethargic behavior. The acute effects of RDX on survival, incidence of deformities, and behavior of larval zebrafish occurred at the high end of the most frequently reported concentrations of RDX in aquatic environments. The chronic effects of RDX in aquatic vertebrates need to be determined for an adequate assessment of the ecological risk of environmental RDX.     

Modeling the effect of climate change on the distribution of threatened medicinal orchid Satyrium nepalense D. Don in India

It is vital to understand the distribution area of a threatened plant species for its better conservation and management planning. Satyrium nepalense (family: Orchidaceae) is a threatened terrestrial orchid species with valuable medicinal and nutritional properties. The survival of S. nepalense in wild conditions has been challenged by increasing global surface temperature. Hence, understanding the impact of climate change on its potential distribution is crucial to conserve and restore this species. In present study, Maxent species distribution modeling algorithm was used to simulate the current distribution of S. nepalense in India and predict the possible range shift in projected future climate scenarios. A set of 19 bioclimatic variables from WorldClim database were used to predict the potential suitable habitats in current climatic condition and four Representative Concentration Pathway (RCP 2.6, 4.5, 6.0, and 8.5) scenarios by integrating five General Circulation Models (GCMs) for future distribution modeling of species for the years 2050 and 2070. Furthermore, change analysis was performed to identify the suitable habitat in current and future climate for delineating range expansion (gain), contraction (loss), and stable (no change) habitats of species. The Maxent model predicted that?~?2.38% of the geographical area in India is presently climatically suitable for S. nepalense. The key bioclimatic variables affecting the distribution of studied species were the mean temperature of warmest quarter, mean temperature of wettest quarter, precipitation of warmest quarter, and temperature seasonality. Under future climate change scenarios, the total suitable habitat of S. nepalense will increase slightly in the Himalayan region and likely to migrate towards northward, but in the Western Ghats region, the suitable areas will be lost severely. The net habitat loss under four RCP scenarios was estimated from 26 to 39% for the year 2050, which could further increase from 47 to 60% by the year 2070. The finding of the predictive Maxent modeling approach indicates that warming climates could significantly affect the potential habitats of S. nepalense and hence suitable conservation measures need to be taken to protect this threatened orchid species in wild conditions.

     

Statistical evidence on the effectiveness of sewering to protect groundwater from VOC contamination

Volatile organic compounds (VOCs) are an important source of contamination of groundwater supplies in Massachusetts and many parts of the United States. One local response is to require sewering in wellhead protection areas as an easily enforceable policy designed to reduce the probability of VOC contamination of groundwater. Data were collected for 238 wellhead protection areas in Massachusetts on VOC contamination levels and the sewered and unsewered land uses in those aquifer recharge areas. Logistic regression procedures were used to see whether sewering had any statistical effect on likelihood of contamination of well water. The results provided limited, but not overpowering, support for the idea that requiring commercial and industrial land uses to use sewers would reduce the chance of VOC contamination.     

Ameliorating effect of N-acetylcysteine and curcumin on pesticide-induced oxidative DNA damage in human peripheral blood mononuclear cells

Endosulfan, malathion, and phosphamidon are widely used pesticides. Subchronic exposure to these contaminants commonly affects the central nervous system, immune, gastrointestinal, renal, and reproductive system. There effects have been attributed to increased oxidative stress. This study was conducted to examine the role of oxidative stress in genotoxicity following pesticide exposure using peripheral blood mononuclear cells (PBMC) in vitro. Further possible attenuation of genotoxicity was studied using N-acetylcysteine (NAC) and curcumin as known modulators of oxidative stress. Cultured mononuclear cells was isolated from peripheral blood of healthy volunteers, and exposed to varying concentrations of different pesticides: endosulfan, malathion, and phosphamidon for 6, 12, and 24 h. Lipid peroxidation was assessed by cellular malondialdehyde (MDA) level and DNA damage was quantified by measuring 8-hydroxy-2'-deoxyguanosine (8-OH-dG) using ELISA. Both MDA and 8-OH-dG were significantly increased in a dose-dependent manner following treatment with these pesticides. There was a significant decrease in MDA and 8-OH-dG levels in PBMC when co-treated with NAC or/and curcumin as compared to pesticide alone. These results indicate that pesticide-induced oxidative stress is probably responsible for the DNA damage, and NAC or curcumin attenuate this effect by counteracting the oxidative stress.     

Synthesis of a highly recoverable 3D MnO2/rGO hybrid aerogel for efficient adsorptive separation of pharmaceutical residue

Water contamination by non-steroidal anti-inflammatory drugs, such as acetaminophen, is an emerging ecological concern. In this study, a new three-dimensional manganese dioxide-engrafted reduced graphene oxide (3D MnO₂/rGO) hybrid aerogel was developed for acetaminophen sequestration. The synthesis involved firstly the self-assembly of GO aerogel, followed by thermal reduction and in-situ MnO₂ growth by redox-reaction. The aerogel demonstrated interlinked planes with smooth surfaces deposited with MnO₂ nanospheres and pores of 138.4 – 235.3 µm width. The influences of adsorbent dosage, initial pH, acetaminophen concentration, temperature and contact time were investigated. It was determined that the adsorption of acetaminophen occurred on uniform sorption sites in the aerogel, as suggested by the best fit of data to the Langmuir isotherm, yielding a maximum adsorption capacity of 252.87 mg/g. This highest adsorption performance of the 3D MnO₂/rGO aerogel was attained at a dosage of 0.6 g/L, initial pH of 6.2 and temperature of 40°C. The process kinetics were in-line with the pseudo-first-order and pseudo-second-order kinetics at 10 and 20 – 500 mg/L concentrations, respectively. Thermodynamic assay showed the spontaneity and endothermicity features of the 3D MnO₂/rGO-acetaminophen system. The acetaminophen adsorption mechanisms were mainly hydrogen bonding and pore entrapment. Moreover, the as-synthesised aerogel was effectively regenerated using acetone and re-utilised in four adsorption-desorption cycles. Overall, the results highly recommend the implementation of the 3D MnO₂/rGO hybrid aerogel for purification of wastewater polluted by acetaminophen residue.