Sugeno fuzzy inference system modeling and DFT calculations for the treatment of pesticide-laden water by newly developed arginine functionalized magnetic Mn-based metal organic framework.

The uncontrolled utilization of pesticides poses a significant risk to the environment and human health, making its management essential. In this regard, a new arginine functionalized magnetic Mn-based metal-organic framework (Arg@m-Mn-MOF) was fabricated and assessed for the removal of cypermethrin (CYP) and chlorpyrifos (CHL) from aqueous system. The Arg@m-Mn-MOF was characterized by scanning electron microscopy, energy dispersive X-ray, Fourier transform infrared spectroscopy, X-ray diffraction, and Brunauer-Emmett-Teller analysis. Various parameters were optimized in a series of batch experiments and the following conditions were found optimal: pH: 4 and 5, contact time: 20 min, adsorbent dosage: 0.6 and 0.8 g L-1 with initial concentration: 10 mg L-1 and temperature: 298 K for CYP and CHL, respectively. The composite attained a maximum removal capacity of 44.84 and 71.42 mg g-1 for CYP and CHL, respectively. The elucidated data was strongly fitted to the pseudo-second-order model of kinetics (R2 > 0.98) and Langmuir isotherm (R2 > 0.98). Based upon 350 experimental datasets obtained from batch studies and interpolated data, the adsorption capacity of the adsorbent was elucidated with R2 > 0.97 (CHL) and > 0.91 (CYP). The adsorption energy (- 11.67 kcal mol-1) calculated by Gaussian software suggests a good interaction between arginine and CHL through H-bonding. The present study's findings suggested the prepared Arg@m-Mn-MOF as a promising adsorbent for the efficient removal of pesticides from agriculture runoff.

Accurate data prediction by fuzzy inference model for adsorption of hazardous azo dyes by novel algal doped magnetic chitosan bionanocomposite.

A bionanocomposite comprising of magnetic chitosan doped with algae isolated from native habitat was fabricated and utilized as an efficient adsorbent for the removal of hazardous azo dyes, namely, Direct Red 31 (DR31) and Direct Red 28 (DR28). The algal doped magnetic chitosan (Alg@mCS) was comprehensively characterized by Scanning Electron Microscopy (SEM), Energy Dispersive X-Ray Analysis (EDAX), Fourier Transform Infrared Spectroscopy (FTIR), X-ray diffraction analysis (XRD), and Brunauer-Emmett-Teller (BET). On the sorption of dyes, the influence of various process variables such as pH, adsorbent dosage, contact time, temperature, and initial dyes concentration were addressed. The adsorbent demonstrated maximal removal of DR31 and DR28 at pH 5 and 3, respectively. The maximum adsorption capacity of DR31 and DR28 was observed at Alg@mCS dose of 0.6 g L-1 and 7 g L-1 in 10 and 20 min, respectively. The Redlich Peterson isotherm model was shown to be appropriate for dye adsorption, indicating monolayer coverage of the dyes on the adsorbent surface (R2 > 0.99). The adsorption process followed pseudo-second-order kinetics (R2 > 0.99). Based on 320 experimental datasets from batch studies and interpolated data, adaptive neuro-fuzzy inference system (ANFIS) models were utilized to estimate dye elimination (percent). A number of parameters were calculated to validate the model's applicability. The Alg@mCS was proven to be a useful adsorbent for eliminating toxic and harmful azo dyes from aqueous solutions.

Efficient lead preconcentration using two chemically functionalized carbon nanotubes in hyphenated flow injection-flame atomic absorption spectrometry system.

Lead contamination in drinking and natural water has reached alarming concentrations, thus necessitating the development of accurate and rapid determination systems for Pb(II) in aqueous systems. Two hyphenated flow injection-solid phase extraction- FAAS (FI-SPE-FAAS) systems using oxidized and m-phenylenediamine functionalized multiwalled carbon nanotubes for Pb(II) preconcentration from industrially contaminated real water samples have been proposed. The chemical and hydrodynamic parameters affecting Pb(II) sorption/desorption were optimized. The effect of common interfering ions in water was also studied. Different figures of merit such as preconcentration factor (> 70), detection limit (≤ 1.5 µg L-1), and relative standard deviation (≤ 1.3%) were achieved at the preconcentration time of 120 s for both the preconcentration systems. The method was applied to industrially contaminated real water samples and the spike recovery tests were carried out using standard Pb(II) solution traceable to NIST. The proposed method was validated using standard reference material 1640a supplied by NIST Gaithersburg, MD, USA.

Online Preconcentration Procedure for Chromium Speciation and Determination in Industrial Water Samples Using Flame Atomic Absorption Spectrometry.

An online preconcentration system based on solid-phase extraction was developed for speciation and determinations of Cr in industrial water samples using flame atomic absorption spectrometry. A minicolumn packed with Amberlite XAD-16 loaded with salicylic acid was used to preconcentrate chromium species. All flow and chemical parameters that influence sorption were studied. The preconcentration factor and detection limit for the preconcentration time of 120 s were 79 and 0.10 µg L-1, respectively. The concentration of Cr(VI) species was calculated by the difference of the total Cr and Cr(III). The relative standard deviation (RSD) (five replicate of measurements) for 50 and 100 µg L-1 Cr(III) solution was 1.2 and 1.0% respectively. The accuracy of the method was verified by analyzing a standard reference material (NIST SRM 1640a, trace elements in natural water). The proposed preconcentration method was successfully applied to the determination of Cr species in industrial water samples with satisfactory results.

Chromium Speciation Using Flow-injection Preconcentration on Xylenol Orange Functionalized Amberlite XAD-16 and Determination in Industrial Water Samples by Flame Atomic Absorption Spectrometry.

A speciation method for Cr(III) and Cr(VI) by on-line solid-phase extraction using a flow-injection system with FAAS has been proposed. The Cr(III) was selectively retained at pH 5 on the AXAD16-XO chelating resin and was eluted using 0.5 mol L(-1) HNO3. The preconcentration factor and the detection limit (3σ) of 73 and 0.11 µg L(-1), respectively, were obtained for a 120-s preconcentration time. The precision (%RSD) at the 100 µg L(-1) level was 1.08%. The linearity for Cr(III) measurements was up to 600 µg L(-1). The total chromium was determined by reducing Cr(VI) to Cr(III) using hydroxylamine hydrochloride, and the Cr(VI) concentration was obtained by subtraction from the total chromium concentration. The effect of interfering ions was examined towards the selectivity of the proposed system for Cr(III). Spike recovery studies in industrial water samples were carried out using standard Cr(III) and Cr(VI) solutions traceable to NIST. The proposed method was validated using SRM 1643e (Trace Elements in Water) supplied by NIST, USA.