Simultaneous spectrophotometric determination of crystal violet and malachite green in water samples using partial least squares regression and central composite design after preconcentration by dispersive solid-phase extraction

In this paper, a simple, fast, and inexpensive method is introduced for the simultaneous spectrophotometric determination of crystal violet (CV) and malachite green (MG) contents in aquatic samples using partial least squares regression (PLS) as a multivariate calibration technique after preconcentration by graphene oxide (GO). The method was based on the sorption and desorption of analytes onto GO and direct determination by ultraviolet–visible spectrophotometric techniques. GO was synthesized according to Hummers method. To characterize the shape and structure of GO, FT-IR, SEM, and XRD were used. The effective factors on the extraction efficiency such as pH, extraction time, and the amount of adsorbent were optimized using central composite design. The optimum values of these factors were 6, 15 min, and 12 mg, respectively. The maximum capacity of GO for the adsorption of CV and MG was 63.17 and 77.02 mg g^?1, respectively. Preconcentration factors and extraction recoveries were obtained and were 19.6, 98% for CV and 20, 100% for MG, respectively. LOD and linear dynamic ranges for CV and MG were 0.009, 0.03–0.3, 0.015, and 0.05–0.5 (μg mL^?1), respectively. The intra-day and inter-day relative standard deviations were 1.99 and 0.58 for CV and 1.69 and 3.13 for MG at the concentration level of 50 ng mL^?1, respectively. Finally, the proposed DSPE/PLS method was successfully applied for the simultaneous determination of the trace amount of CV and MG in the real water samples.     

Developing an environmental water quality monitoring program for Haraz River in Northern Iran

Water quality management plans are an indispensable strategy for conservation and utilization of water resources in a sustainable manner. One common industrial use of water is aquaculture. The present study is an attempt to use statistical analyses in order to prepare an environmental water quality monitoring program for Haraz River, in Northern Iran. For this purpose, the analysis of a total number of 18 physicochemical parameters was performed at 15 stations during a 1-year sampling period. According to the results of the multivariate statistical methods, the optimal monitoring would be possible by only 3 stations and 12 parameters, including NH₃, EC, BOD, TSS, DO, PO₄, NO₃, TDS, temperature, turbidity, coliform, and discharge. In other words, newly designed network, with a total number of 36 measurements (3 stations × 12 parameters = 36 parameters), could achieve exactly the same performance as the former network, designed based on 234 measurements (13 stations × 18 parameters = 234 parameters). Based on the results of cluster, principal component, and factor analyses, the stations were divided into three groups of high pollution (HP), medium pollution (MP), and low pollution (LP). By clustering the stations, it would be possible to track the water quality of Haraz River, only by one station at each cluster, which facilitates rapid assessment of the water quality in the river basin. Emphasizing on three main axes of monitoring program, including measurement parameters, sampling frequency, and spatial pattern of sampling points, the water quality monitoring program was optimized for the river basin based on natural conditions of the study area, monitoring objectives, and required financial resources (a total annual cost of about US $2625, excluding the overhead costs).     

3D-QSAR of fungal quorum-sensing inhibiting analogs of farnesol

Thirty-four analogs with variable antifungal activity were selected to develop models for establishing three-dimensional quantitative structure-activity relationships (3D-QSAR). Comparative molecular field analysis (CoMFA) and comparative similarity indices analyses (CoMSIA) were conducted on the group of analogs to determine the structural requirements for selectivity and potency in inhibiting biofilm formation and fungal growth. The best CoMFA model predicted a q² = 0.5 and an r² = 0.991, and revealed that electrostatic properties play a significant role in potency and selectivity. The best CoMSIA model combined electrostatics, hydrogen bond acceptor and donor, and hydrophobic fields with a q² = 0.664 r² = 0.952, S = 0.099, and F = 139.892. The analyses of the contour maps from both models provide significant insight into the structural necessities for a potent compound. Therefore, manipulating various chemical properties of the substituted groups on the farnesol chain can be used to enhance the fungicidal properties of the target compound.     

Three-dimensional quantitative structure activity relationships of quorum-sensing and biofilm inhibitors in gram-negative bacteria

Thirty N-acyl homoserine lactone (AHL) analogs with variable antibacterial activity and displaying inhibition of biofilm formation were selected to develop models for establishing three-dimensional quantitative structure-activity relationships (3D-QSAR). Comparative molecular field analysis (CoMFA) and comparative similarity indices analysis (CoMSIA) were carried out to determine the optimum structural requirements for selectivity and potency of quorum-sensing and bacterial biofilm inhibition. The best CoMFA model predicted a q² value of 0.519 and an r² value of 0.984 and revealed that electrostatic and steric properties play a significant role in potency and selectivity. The CoMSIA model predicted a q² value of 0.411 and an r² value of 0.938 based on a combination of steric, electrostatic, and hydrophobic effects. The analysis of the contour maps from each model provide insight into the structural requirements for increasing the activity of a compound. Consequently, manipulating the chemical and physical properties of substituted acyl groups on the homoserine lactone moiety can provide important information toward enhancing the antibacterial properties of the target chemical compound.     

Spatial and temporal projected distribution of four crop plants in Egypt

This study focuses on the management of the local agroecosystems in order to adapt planting or sowing practices for the projected climate change scenarios. It is projected that there will be increased air temperature throughout all four seasons in the coming 100 years, from the southern towards the northern parts of Egypt. The objective of this study is to investigate the influence of that increased air temperature on the spatial and temporal distribution of four of the major economic crops in Egypt. The study species are cotton (Gossypium barbadense L., cv. Giza 89), wheat (Triticum aestivum L., cv. Gemiza 9), rice (Oryza stiva L., cv. Sakha 101) and maize (Zea mays L., cv. Hybrid 10). Optimum air temperature allowing maximum growth for each of the study crop cultivars and the current and projected air temperature patterns in the future years were used for projection of the seasonal and crop distribution maps in the years 2005, 2025, 2050, 2075 and 2100. Results showed that sowing dates of a target crop may be managed in order to allow maximum predicted planting area in the same region. The current maximum area suitable for planting the Cotton crop in Egypt (104 thousand Fadden/year; one Fadden = 0.96 hectare or 0.42 acre) showed few variations over the coming hundred years. In this case, the sowing dates should be changed from the hotter months (February to April) to the cooler months (January to February). Alternatively, a great reduction in the area planted by Wheat crop was predicted in the coming 100 years. Despite the early planting, a reduction of about 147 thousand Fadden/year was projected by the year 2075. On the other hand, with earlier sowing dates, the maximum areas that are planted by Rice and Maize may not be greatly affected by the projected increase in air temperature.     

Thermally assisted mechanical dewatering (TAMD) of suspensions of fine particles: analysis of the influence of the operating conditions using the response surface methodology

Thermally assisted mechanical dewatering (TAMD) is a new process for energy-efficient liquid/solids separation which enhances conventional-device efficiency. The main idea of this process is to supply a flow of heat in mechanical dewatering processes to favour the reduction of the liquid content. This is not a new idea but the proposed combination, especially the chosen operating conditions (temperature <100 degrees C and pressure <3000 kPa) constitutes an original approach and a significant energy saving since the liquid is kept in liquid state. Response surface methodology was used to evaluate the effects of the processing parameters of TAMD on the final dry solids content, which is a fundamental dewatering parameter and an excellent indicator of the extent of TAMD. In this study, a two-factor central composite rotatable design was used to establish the optimum conditions for the TAMD of suspensions of fine particles. Significant regression models, describing changes on final dry solids content with respect to independent variables, were established with regression coefficients (usually called determination coefficients), R(2), greater than 80%. Experiments were carried out on a laboratory filtration/compression cell, firstly on different compressible materials: synthetic mineral suspensions such as talc and synthetic organic suspensions such as cellulose, and then on industrial materials, such as bentonite sludge provided by Soletanche Bachy Company. Experiment showed that the extent of TAMD for a given material is particularly dependent on their physical and chemical properties but also on processing parameters.     

Contamination by organochlorine compounds in the edible tissue of four sturgeon species from the Caspian Sea (Iran)

This study focused on accumulation of organochlorine compounds (OCs), including dichloro-diphenyl-trichloroethanes (DDTs), hexachlorobenzene (HCB), hexachlorocyclohexanes (HCHs), and polychlorinated biphenyls (PCBs) accumulation in the muscle of four sturgeon (Persian sturgeon, Acipenser persicus; Stellate sturgeon, Acipenser stellatus; Ship sturgeon, Acipenser nudiventris and Beluga sturgeon, Huso huso) from the southern Caspian Sea. The DDT group was prominent in all of the sturgeon muscle tested constituting almost half or more of the total organochlorine content. Contaminant concentration generally followed this order: DDTs>PCBs>HCHs>HCB. The OCs concentrations in Beluga sturgeon (H. huso) were the highest and over four times higher than in the next highest species (A. nudiventris). From an ecotoxicological point of view, the concentrations of OCs in experimental fishes do not reflect a comparatively clean and pollution-free environment; however, results from this study shown that the inflow of organic pollutants into the Caspian Sea has been reduced when compared with prior studies. Levels of measured OCs in sturgeon were relatively low, but the level of some OCs in some of the specimens tested exceeded the guidelines for food; therefore, the maximum allowable daily consumption rate for sturgeon from this watershed may be limited by DDTs and PCBs content for high risk populations.     

Current levels of airborne polyfluorinated telomers in Japan

Fluorotelomer alcohols (FTOHs), a class of per- and poly-fluorochemicals (PFCs), are environmental contaminants characterized by high volatility and are therefore prone to long-range atmospheric transport. In this study, airborne FTOHs were identified in Japan using a newly developed passive air sampler containing activated carbon felts. Air sampling was conducted at 33 sites all over Japan from April to June 2007. 8:2 FTOH, the dominant analyte, ranged from <32 to 2466pgm(-3) (mean: 241pgm(-3)) followed by 6:2 FTOH from n.d. to 768pgm(-3) (mean: 51.6pgm(-3)), 10:2 FTOH from <17 to 113pgm(-3) (mean: 26.8pgm(-3)) and 8:2 FTOAcryl from n.d. to 480pgm(-3) (mean: 25.8pgm(-3)). 8:2 FTOMethacryl was not detected above detection limit (3pgm(-3)) in all samples. The highest concentration of total investigated PFCs was found in Chiba (35 degrees 43'20' N 140 degrees 39'46' E) (2152-3181pgm(-3)). On the other hand, in three locations of Higashi-Yodogawa (34 degrees 44' N 135 degrees 32' E), high levels of 8:2 FTOAcryl (239pgm(-3), 109-480pgm(-3)) were detected, the levels of which were comparable to those of 8:2 FTOH (mean: 175pgm(-3), range: 115-292pgm(-3)). This study is the first national wide-scale survey of FTOHs and 8:2 FTOAcryl across Japan, showing that 8:2 FTOH was ubiquitous in the environment in Japan.