Application of quantum-chemical approximations to environmental problems: Prediction of physical and chemical properties of TNT and related species

This paper presents accurate predictions of ecologically important properties of nitroaromatic compounds and their derivatives, including vapor pressure, Henry's law constants, water solubility, octanol/water partition coefficients, heats of formation and ionization potentials. The proposed technique of calculations was based on quantum-chemical methods. The relationship between the chemical structure and mentioned physico-chemical parameters of such widespread military produced contaminants as trinitrotoluene and its derivatives was considered. We revealed that the DFT level of theory combined with the COSMO-RS technique is able to predict the studied parameters with an accuracy that results in error bars of less then one logarithmic unit.     

Design of a Leaching Test Framework for Coal Fly Ash Accounting for Environmental Conditions

Fly ash from coal combustion contains trace elements which, on disposal or utilisation, may leach out, and therefore be a potential environmental hazard. Environmental conditions have a great impact on the mobility of fly ash constituents as well as the physical and chemical properties of the fly ash. Existing standard leaching methods have been shown to be inadequate by not representing possible disposal or utilisation scenarios. These tests are often criticised on the grounds that the results estimated are not reliable as they are not able to be extrapolated to the application scenario. In order to simulate leaching behaviour of fly ash in different environmental conditions and to reduce deviation between measurements in the fields and the laboratories, it is vital to study sensitivity of the fly ash constituents of interest to major factors controlling leachability. pH, liquid-to-solid ratio, leaching time, leachant type and redox potential are parameters affecting stability of elements in the fly ash. Sensitivity of trace elements to pH and liquid to solid ratio (as two major overriding factors) has been examined. Elements have been classified on the basis of their leaching behaviour under different conditions. Results from this study have been used to identify leaching mechanisms. Also the fly ash has been examined under different standard batch leaching tests in order to evaluate and to compare these tests. A Leaching Test Framework has been devised for assessing the stability of trace elements from fly ashes in different environments. This Framework assists in designing more realistic batch leaching tests appropriate to field conditions and can support the development of regulations and protocols for the management and disposal of coal combustion by-products or other solid wastes of environmental concern.     

Interpretation of standard leaching test BS EN 12457-2: is your sample hazardous or inert?

A slag sample from a lead refiner has been obtained and given to two analytical laboratories to determine the release of trace elements from the sample according to BS EN 12457-2. Samples analysed by one laboratory passed waste acceptance criteria, leading it to be classified as an inert material; samples of the same material analysed by the other laboratory failed waste acceptance criteria and were classified as hazardous. It was found that the sample preparation procedure is the critical step in the leaching analysis and that the effects of particle size on leachability should be taken into account when using this standard. The purpose of this paper is to open a debate on designing a better defined standard leaching test and making current waste acceptance criteria more flexible.     

Trace metal contamination in commercial fish and crustaceans collected from coastal area of Bangladesh and health risk assessment

Environmental Science and Pollution Research - Trace metals contamination in commercial fish and crustaceans have become a great problem in Bangladesh. This study was conducted to determine seven...     

Do disinfection byproducts in drinking water have an effect on human cancer risk worldwide? A meta‐analysis

In the present study, a meta‐analysis was carried out to clarify the association between disinfection byproducts (DBPs) in drinking water and human cancer risk worldwide. Kidney, colorectal, esophagus, urinary bladder, brain, breast, leukemia, lung, and rectum cancers were selected to perform this analysis. According to preferred reporting items for systematic review and meta‐analysis protocol (PRISMA) guidelines, the relevant studies were identified and selection criteria (inclusion and exclusion criteria) were applied. Next, effective subgroups in these studies (gender, type of drinking water source, and type of DBPs) were analyzed. The quality of the studies was evaluated using the Newcastle‐Ottawa Scale. In addition, this overall study included analyses of 16 case–control and 3 cohort studies. The overall odds ratio (OR) with 95% confidence intervals (CI) between DBPs and cancer risk was 1.01 (95% CI, 0.94–1.09). The summary ORs of cancer risk were 1.04 (95% CI, 0.89–1.19) for kidney; 0.98 (95% CI, 0.87–1.09) for colorectal; 1.07 (95% CI, 0.84–1.29) for esophagus; 0.93 (95% CI, 0.80–1.06) for pancreatic; 1.00 (95% CI, 0.83–1.18) for brain; 1.13 (95% CI, 0.99–1.26) for breast; 0.93 (95% CI, 0.72–1.13) for leukemia; and 1.18 (95% CI, 1–1.36) for lung cancers. The results of this meta‐analysis suggested that there is not a significant association between DBPs in water and cancer risk. In addition, subgroup analysis shows a positive association with colorectal and kidney cancer risk in men, as well as colon and breast cancers in females. Studies of both genders have shown a significant association between lung and pancreatic cancers. Moreover, this study finds a significant relationship between cancer rate and consumers of city water and bottled water sources. In analyzing different types of DBPs in water, chlorine and trichloromethane show a significant association in increasing cancer risk.     

Water quality improvement through bioretention media: nitrogen and phosphorus removal.

High nutrient inputs and eutrophication continue to be one of the highest priority water quality problems. Bioretention is a low-impact development technology that has been advocated for use in urban and other developed areas. This work provides an in-depth analysis on removal of nutrients from a synthetic stormwater runoff by bioretention. Results have indicated good removal of phosphorus (70 to 85%) and total Kjeldahl nitrogen (55 to 65%). Nitrate reduction was poor (< 20%) and, in several cases, nitrate production was noted. Variations in flowrate (intensity) and duration had a moderate affect on nutrient removal. Mass balances demonstrate the importance of water attenuation in the facility in reducing mass nutrient loads. Captured nitrogen can be converted to nitrate between storm events and subsequently washed from the system. Analysis on the fate of nutrients in bioretention suggests that accumulation of phosphorus and nitrogen may be controlled by carefully managing growing and harvesting of vegetation.     

Impact of industrial effluent on growth and yield of rice (Oryza sativa L.) in silty clay loam soil

Degradation of soil and water from discharge of untreated industrial effluent is alarming in Bangladesh. Therefore, buildup of heavy metals in soil from contaminated effluent, their entry into the food chain and effects on rice yield were quantified in a pot experiment. The treatments were comprised of 0, 25%, 50%, 75% and 100% industrial effluents applied as irrigation water. Effluents, initial soil, different parts of rice plants and post-harvest pot soil were analyzed for various elements, including heavy metals. Application of elevated levels of effluent contributed to increased heavy metals in pot soils and rice roots due to translocation effects, which were transferred to rice straw and grain. The results indicated that heavy metal toxicity may develop in soil because of contaminated effluent application. Heavy metals are not biodegradable, rather they accumulate in soils, and transfer of these metals from effluent to soil and plant cells was found to reduce the growth and development of rice plants and thereby contributed to lower yield. Moreover, a higher concentration of effluent caused heavy metal toxicity as well as reduction of growth and yield of rice, and in the long run a more aggravated situation may threaten human lives, which emphasizes the obligatory adoption of effluent treatment before its release to the environment, and regular monitoring by government agencies needs to be ensured.     

Organopesticides and fertility: where does the link lead to?

Environmental Science and Pollution Research - Organopesticides (OPs) are a group of various synthetic chemicals prevalently used in agriculture and homestead plantations. OPs were originally...     

Correction to: Determining soil quality in urban agricultural regions by soil enzyme-based index

Environmental Geochemistry and Health - Unfortunately, in the original publication of the article, Prof. Yang Sik Ok’s affiliation was incorrectly published. The author’s affiliation is...     

Engineered biochar composites with zeolite,silica, and nano-zerovalent iron for the efficient scavenging of chlortetracycline from aqueous solutions

Date palm waste–derived biochar (DBC) was produced through pyrolysis (600 °C) and modified with zeolite (Z-DBC), silica (S-DBC), or nano-zerovalent iron (nZVI-DBC) to design efficient sorbents. The pristine and engineered biochars were characterized by SEM, XRD, BET, TGA, CHNS-O, and FTIR to investigate the surface, structural, and mineralogical composition. The nZVI-DBC exhibited lowest pH (6.15) and highest surface area (220.92 m² g⁻¹), carbon (80.55%), nitrogen (3.78%), and hydrogen (11.09%) contents compared with other biochars. Isotherm sorption data for chlortetracycline (CTC) removal from aqueous solutions was described well by Langmuir and Redlich–Peterson isotherms showing the highest fitness (R² values in the range of 0.88–0.98 and 0.88–0.99, respectively). Langmuir predicted maximum CTC adsorption capacity was in order of nZVI-DBC (89.05 mg g⁻¹) > S-DBC (45.57 mg g⁻¹) > Z-DBC (30.42 mg g⁻¹) > DBC (28.19 mg g⁻¹). Kinetics adsorption data was best described by power function model (R² = 0.93–0.99), followed by interaparticle diffusion (R² = 0.85–0.96) model. The nZVI-DBC performed outclass by removing 98% of CTC, followed by S-DBC (68%), Z-DBC (35%), and DBC (36%). Chemisorption, H-bonding, and interaparticle diffusion were the operating mechanisms for CTC adsorption onto DBC, S-DBC, and Z-DBC, while π-π electron donor–accepter interactions and redox reactions augmented these mechanisms for highest CTC adsorption onto nZVI-DBC. Therefore, nZVI-DBC may serve as an efficient green technology for the removal of CTC from aqueous solutions and to reduce surface date palm waste pollution.

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