DRASTIC framework improvement using Stepwise Weight Assessment Ratio Analysis (SWARA) and combination of Genetic Algorithm and Entropy.

Hybrid and integrated techniques can be used to investigate intrinsic uncertainties of the overlay and index groundwater vulnerability assessment methods. The development of a robust groundwater vulnerability assessment framework for precise identification of susceptible zones may contribute to more efficient policies and plans for sustainable managements. To achieve an overall view of the groundwater pollution potential, the DRASTIC framework (Depth to the water table, net Recharge, Aquifer media, Soil media, Topography, Impact of the vadose zone, and hydraulic Conductivity) can be used for intrinsic vulnerability assessment. However, the unreliability of this index is because of its inherent drawbacks, including the weight and rating assignment subjectivity. To modify the rating range, this study recommended a new DRASTIC modification using a recently introduced Multi-Criteria Decision-Making (MCDM) method, namely the Stepwise Weight Assessment Ratio Analysis (SWARA); in addition, the Entropy and Genetic Algorithm (GA) methods were employed to alter the relative weights of DRASTIC parameters. To improve the DRASTIC index, nitrate concentration data from 50 observation wells in the study site were used. To assess the models' overall performance, the datasets obtained from new observation wells, receiver operating characteristic (ROC) curve, and area under the ROC curve (AUC) were studied. The experiments were carried out in the aquifer of the Qazvin Plain in Iran. The results indicated the higher performance of the modified DRASTIC framework, manifested as an increase in the AUC value from 0.58 for generic DRASTIC to 0.68 for the SWARA-Ent framework and 0.74 for the SWARA-GA framework. The application of the SWARA technique, as an effective MCDM method, resulted in the DRASTIC rating system enhancement. The generic DRASTIC optimization by integrating SWARA and GA provided an effective framework to assess groundwater vulnerability to nitrate contamination in the Qazvin Plain.

Introduction of a carbon paste electrode based on nickel carbide for investigation of interaction between warfarin and vitamin K1.

In this paper a novel electrochemical sensor based on nickel carbide (Ni3C) nanoparticles as a new modifier was constructed. Ni3C nanoparticle was synthesized and characterized by scanning electron microscopy, X-ray diffraction and first-principles study. Electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV) studies confirmed the electrode modification. Afterwards, the new electrode for the first time was used for interaction study between vitamin K1 and warfarin as an anticoagulant drug by differential pulse voltammetry. The adduct formation between the drug and vitamin K1 was improved by decreasing in anodic peak current of warfarin in the presence of different amounts of vitamin K1. The binding constant between warfarin and vitamin K1 was obtained by voltammetric and UV-vis and fluorescence spectroscopic methods. The molecular modeling method was also performed to explore the structural features and binding mechanism of warfarin to vitamin K1. The different aspects of modeling of vitamin K1 and warfarin and their adduct structures confirmed the adduct formation by hydrogen bonding.

Electrooxidation behavior of warfarin in Fe3O4 nanoparticles modified carbon paste electrode and its determination in real samples.

In the present work, a simple and sensitive electrochemical sensor based on magnetic Fe3O4 nanoparticles modified carbon paste electrode (CPE) was introduced for detection of low level with 0.21µM of warfarin. Under the optimum experimental conditions the oxidation peak current of warfarin was used for its monitoring for the first time. The analytical curve was linear for warfarin concentrations from 0.5 to 1000µM with a limit of detection of 0.21µM by square wave anodic stripping voltammetry (SWASV). The proposed sensor showed excellent stability and was used for the determination of warfarin in tablet, human serum and urine with satisfactory results.

A chemometrics approach for simultaneous determination of cyanazine and propazine based on a carbon paste electrode modified by a molecularly imprinted polymer.

In a completely rational and designed approach, simultaneous determination of cyanazine and propazine in environmental and food samples was performed using a molecularly imprinted polymer modified carbon paste electrode (MIP-CPE) and partial least squares. The MIP-CPE designed is based on the theoretical studies functioned as a selective recognition element and pre-concentrator agent for cyanazine and propazine. Fractional factorial and central composite designs were performed to recognize, and subsequently optimize, the variables affecting the cathodic stripping voltammetric currents for the analytes. The important variables were identified to be accumulation potential with optimum values of -0.45 and -0.44 V and pH with optimum values of 2.40 and 2.34 for cyanazine and propazine, respectively. Exploration of the overall optimum conditions for simultaneous determination of cyanazine and propazine resulted in accumulation potential of -0.44 V and pH of 2.4. Dynamic linear ranges of 0.05-9.00 µmol L(-1) and 0.01-1.00 µmol L(-1) and detection limits of 0.010 and 0.001 µmol L(-1) were obtained for cyanazine and propazine, respectively. The results of the application of the proposed method on the simultaneous determination of cyanazine and propazine in foodstuffs and environmental samples were satisfactory.

Fabrication of an electrochemical sensor based on computationally designed molecularly imprinted polymers for determination of cyanazine in food samples.

A computational approach was used for screening functional monomers and polymerization solvent in the rational design of molecularly imprinted polymers (MIPs). It was based on the comparison of the binding energy of the complexes between the template and functional monomers. On the basis of computational results, acrylamide (AAM) and toluene were selected as functional monomer and polymerization solvent, respectively. The MIP, embedded in the carbon paste electrode, functioned as a selective recognition element and pre-concentrator agent for cyanazine determination by using cathodic stripping voltammetric method. The MIP-CP electrode showed very high recognition ability in comparison with NIP-CPE. Some parameters affecting the sensor response were optimized, and then the calibration curve was plotted. A dynamic linear range of 5.0-1000 nM was obtained. The detection limit of the sensor was calculated as 3.2 nM. This sensor was successfully used for cyanazine determination in food samples.

A novel high selective and sensitive metronidazole voltammetric sensor based on a molecularly imprinted polymer-carbon paste electrode.

The design and construction of a highly selective voltammetric sensor for metronidazole by using a molecularly imprinted polymer (MIP) as recognition element were introduced. A metronidazole selective MIP and a nonimprinted polymer (NIP) were synthesized and then incorporated in the carbon paste electrodes (CPEs). The sensor was applied for metronidazole determination using cathodic stripping voltammetric method. The MIP-CP electrode showed very high recognition ability in comparison to NIP-CPE. Some parameters affecting the sensor response were optimized and then the calibration curve was plotted. Two dynamic linear ranges of 5.64 × 10(-5) to 2.63 × 10(-3) mg L(-1) and 2.63 × 10(-3) to 7.69 × 10(-2) mg L(-1) were obtained. The detection limit of the sensor was calculated as 3.59 × 10(-5) mg L(-1). This sensor was used successfully for metronidazole determination in biological fluids.