Cytotoxicity estimation of ionic liquids based on their effective structural features

Cytotoxicity of a diverse set of 227 ionic liquids (taken from UFT/Merck Ionic Liquids Biological Effects Database) containing 94 imidazolium, 53 pyridinium, 23 pyrrolidinium, 22 ammonium, 15 piperidinium, 10 morpholinium, 5 phosphanium, and 5 quinolinium cations in combination with 25 different types of anions to Leukemia Rat Cell Line (IPC-81) was estimated from their structural parameters using quantitative structure - toxicity relationship “QSTR” methodology. Linear and nonlinear models were developed using genetic algorithm (GA), multiple linear regressions (MLR) and multilayer perceptron neural network (MLP NN) approaches. Robustness and reliability of the constructed models were evaluated through internal and external validation methods. Furthermore, chemical applicability domain was determined via leverage approach. In this work, it was revealed that the cationic moieties make the major contribution to cytotoxicity and the anionic parts play a secondary role in cytotoxicity of the ionic liquids studied here. Structural information represented in this work, can be used for a rational design of safer ILs.     

Elemental composition of particulate matters around Urmia Lake,Iran

Atmospheric particulate matters and their elements were concurrently measured at two sites located in the north and southeast parts of Urmia Lake from January to September 2013. At both sampling sites, average concentrations of total suspended particulate, particles with the aerodynamic diameter of smaller than 10 µm, smaller than 2.5 µm, and smaller than 1 µm were 260 ± 106, 180 ± 73, 30 ± 8, and 25 ± 7 µg m^?3, respectively. The analyzed water soluble ions accounted for approximately 11%–13% mass concentrations of total suspended particulate and 8%–9% of particles smaller than 10 µm, and the sum of the concentrations of the analyzed elements associated with both ranged from 9 to 41 µg m^?3 (6.5%–9.6% in mass) and 7 to 26 µg m^?3 (5.5%–11.3% in mass), respectively. Thus, particulate matter was composed of a complex mixture of minerals such as halite, quartz, gypsum, hexahydrite, and Bassanite.     

Genotoxicity study of high aspect ratio silver nanowires

The genotoxicity potential of silver nanowires synthesized via the solution-based polyol method has been investigated. They were found to be non-mutagenic in three Salmonella strains and were not genotoxic in a clastogenicity assay in mice. Residual surfactant was found to have an effect on the toxicological properties of the nanowires by increasing the rate of Ag⁺ release. Residual surfactant can be easily degraded via a UV treatment.     

Large eddy simulation of dispersion around an isolated cubic building: evaluation of localized dynamic k_\mathrm{SGS}-equation sub-grid scale model

In the present study, the prediction accuracy of a dynamic one-equation sub-grid scale model for the large eddy simulation of dispersion around an isolated cubic building is investigated. For this purpose, the localized dynamic $k_\mathrm{SGS} $ -equation model (LDKM) is employed and the results are compared with the available experimental data and two other classic sub-grid scale models, namely, standard Smagorinsky–Lilly model (SSLM) and dynamic Smagorinsky–Lilly model (DSLM). It is shown that the three SGS models give results in good agreement with experiment. However, near the ground level of the leeward wall, dimensionless time-averaged concentration, $\langle K\rangle $ , profile is not quite similar to the experimental data. It is also demonstrated that the LDKM predicts the values of $\langle K\rangle $ on the roof, leeward and side walls more acceptably than the SSLM and DSLM. Whereas, the streamwise elongation of time-averaged structures of the plume shape is more over-estimated with the LDKM than with the other two SGS models. In terms of numerical difficulty, the LDKM is found to be stable and computationally reasonable. In addition, it does not suffer from a flow dependent constant such as the Smagorinsky coefficient employed in the SSLM model.     

Organochlorine residual concentrations in cattle egret from the Punjab Province, Pakistan

In this study, residual concentration of organochlorine pesticides (OCPs) in the sediments, prey, and eggs of Bubulcus ibis were measured from three breeding heronries from the Punjab province of Pakistan. Pattern of contamination in eggs followed the order: DDTs > HCHs > heptachlor > aldrin. Overall, pesticide residual concentrations were greater in eggs of cattle egrets collected from heronry on the River Ravi. Among HCHs, ??-HCH was more prevalent in eggs, whereas DDTs followed the order: DDD > DDE > p,p ^??-DDT > o,p ^??-DDT. Eggshell thinning was detected which showed negative relationship with residual concentration of DDE. In prey samples, residual concentration of POPs followed the order: DDTs > HCHs > dicofol > heptachlor; however, contamination pattern in sediments followed a slightly different order: DDTs > heptachlor > dicofol > HCHs > dieldrin > aldrin. Concentration of ??-HCH was more prevalent in sediments and comparatively greater concentrations of POPs were measured in sediments collected from the River Ravi. Dicofol was found for the very first time in the biological samples from Pakistan, and its concentration was measured as relatively high in eggs from heronry from the River Chenab. Residual concentrations measured in eggs were below the levels that could affect egret populations. Biomagnification of the total OCPs through the food chain was evident in three breeding heronries. The concentration of DDE measured in eggs of the cattle egret suggests the need for monitoring this contaminant in other bird species at different trophic levels.     

Performance evaluation of a continuous flow photocatalytic reactor for wastewater treatment

A novel photocatalytic reactor for wastewater treatment was designed and constructed. The main part of the reactor was an aluminum tube in which 12 stainless steel circular baffles and four quartz tube were placed inside of the reactor like shell and tube heat exchangers. Four UV–C lamps were housed within the space of the quartz tubes. Surface of the baffles was coated with TiO₂. A simple method was employed for TiO₂ immobilization, while the characterization of the supported photocatalyst was based on the results obtained through performing some common analytical methods such as X-ray diffraction (XRD), scanning electron microscope (SEM), and BET. Phenol was selected as a model pollutant. A solution of a known initial concentration (20, 60, and 100 ppmv) was introduced to the reactor. The reactor also has a recycle flow to make turbulent flow inside of the reactor. The selected recycle flow rate was 7?×?10^?5 m³.s^?1, while the flow rate of feed was 2.53?×?10^?7, 7.56?×?10^?7, and 1.26?×?10^?6 m³.s^?1, respectively. To evaluate performance of the reactor, response surface methodology was employed. A four-factor three-level Box–Behnken design was developed to evaluate the reactor performance for degradation of phenol. Effects of phenol inlet concentration (20–100 ppmv), pH (3–9), liquid flow rate (2.53?×?10^?7?1.26?×?10^?6 m³.s^?1), and TiO₂ loading (8.8–17.6 g.m^?2) were analyzed with this method. The adjusted R ² value (0.9936) was in close agreement with that of corresponding R ² value (0.9961). The maximum predicted degradation of phenol was 75.50 % at the optimum processing conditions (initial phenol concentration of 20 ppmv, pH?～?6.41, and flow rate of 2.53?×?10^?7 m³.s^?1 and catalyst loading of 17.6 g.m^?2). Experimental degradation of phenol determined at the optimum conditions was 73.7 %. XRD patterns and SEM images at the optimum conditions revealed that crystal size is approximately 25 nm and TiO₂ nanoparticles with visible agglomerates distribute densely and uniformly over the surface of stainless steel substrate. BET specific surface area of immobilized TiO₂ was 47.2 and 45.8 m² g^?1 before and after the experiments, respectively. Reduction in TOC content, after steady state condition, showed that maximum phenol decomposition occurred at neutral condition (pH?～?6). Figure

The schematic view of the experimental set-up     

The efficiency of Amberlite XAD-4 resin loaded with 1-(2-pyridylazo)-2-naphthol in preconcentration and separation of some toxic metal ions by flame atomic absorption spectrometry

A selective method has been developed for the determination of trace amount of metal ions after preconcentration on 1-(2-pyridylazo)-2-naphthol loaded Amberlite XAD-4 resin. The chelating resin was characterized on the basis of infra red spectra, thermal and chemical stability, and hydrogen ion capacity. High preconcentration factor of 160?C400 up to a low preconcentration limit of 10 ??g L^???1 has been achieved for almost all the metals. The chelating resin was highly selective even in the presence of large concentrations of alkali and alkaline earth metals and various matrix components. Chromatographic separation of metal ions in binary mixtures has been accomplished. The analytical utility of the resin for metal ions was explored by analyzing natural water and standard reference materials.     

A mobile monitoring system to understand the processes controlling episodic events in Corpus Christi Bay

Corpus Christi Bay (TX, USA) is a shallow wind-driven bay and thereby, can be characterized as a highly pulsed system. It cycles through various episodic events such as hypoxia, water column stratification, sediment resuspension, flooding, etc. Understanding of the processes that control these events requires an efficient observation system that can measure various hydrodynamic and water quality parameters at the multitude of spatial and temporal scales of interest. As part of our effort to implement an efficient observation system for Corpus Christi Bay, a mobile monitoring system was developed that can acquire and visualize data measured by various submersible sensors on an undulating tow-body deployed behind a research vessel. Along with this system, we have installed a downward-looking Acoustic Doppler Current Profiler to measure the vertical profile of water currents. Real-time display of each measured parameter intensity (measured value relative to a pre-set peak value) guides in selecting the transect route to capture the event of interest. In addition, large synchronized datasets measured by this system provide an opportunity to understand the processes that control various episodic events in the bay. To illustrate the capability of this system, datasets from two research cruises are presented in this paper that help to clarify processes inducing an inverse estuary condition at the mouth of the ship channel and hypoxia at the bottom of the bay. These measured datasets can also be used to drive numerical models to understand various environmental phenomena that control the water quality of the bay.     

Salicylic acid minimizes nickel and/or salinity-induced toxicity in Indian mustard (Brassica juncea) through an improved antioxidant system

Introduction  

This study was hypothesized that salicylic acid elevates the level of antioxidant system that will protect plants from the stress generated by nickel and/or salinity.