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.

A sustainable remediation of Congo red dye using magnetic carbon nanodots and B. pseudomycoides MH229766 composite: mechanistic insight and column modelling studies.

In the present investigation, a biocomposite, magnetic carbon nanodot immobilized Bacillus pseudomycoides MH229766 (MCdsIB) was developed and consequently characterized using SEM-EDX, FTIR, XRD, and VSM analyses to effectively biotreat hazardous Congo red (CR) dye present in water bodies. The adsorptive efficiency of MCdsIB for the detoxification of CR from wastewater was investigated both in batch and column schemes. Optimum batch parameters were found as pH 3, 50 mg L-1 dye concentration, 150 min equilibrium time, and 2 g L-1 MCdsIB dosage. The Freundlich isotherm model best fit the experimental data, and the maximum adsorption capacity of MCdsIB was observed as 149.25 mg g-1. Kinetic data were in accordance with the pseudo-second-order model where the adsorption rate reduced with the rise in the initial concentration of dye. Intra-particle diffusion was discovered as the rate-limiting step following 120 min of the adsorption process. Furthermore, despite being used continually for five consecutive cycles, MCdsIB demonstrated excellent adsorption capacity (> 85 mg g-1), making it an outstanding recyclable material. The CR dye was efficiently removed in fixed-bed continuous column studies at high influent CR dye concentration, low flow rate, and high adsorbent bed height, wherein the Thomas model exhibited an excellent fit with the findings acquired in column experiments. To summarize, the current study revealed the effectiveness of MCdsIB as a propitious adsorbent for CR dye ouster from wastewater.

Ultrasonication expedited As(III) adsorption onto chitosan impregnated Ni-Fe layered double hydroxide biosorbent: Optimization studies and artificial intelligence modelling.

Chitosan intercalated Ni-Fe layered double hydroxide (Ni-Fe LDH/Ch), prepared by co-precipitation was examined for adsorptive elimination of arsenic (III). Energy Dispersive X-ray analysis, X-ray diffraction, Fourier Transform Infrared spectroscopy, Scanning Electron Microscopy, and Dynamic Light Scattering validated the successful synthesis of the composite with enhanced adsorption sites. Maximal As(III) removal was obtained at adsorbent dose 1 gL-1, pH 7, ultrasonication time 30 min, temperature 298 K, and initial arsenic concentration 50 mgL-1. The experimentally obtained values fit the Langmuir isotherm and pseudo-second-order dynamics well (R2 > 0.98), while thermodynamic evaluation confirmed exothermic and spontaneous reaction (ΔG = -8.13 kJ mol-1). Further, adaptive neuro-fuzzy inference system and artificial neural network successfully predicted As(III) removal percentage with a high correlation coefficient (R2 > 0.94) and low statistical errors (MSE< 0.002, AARE< 0.063). The prepared material successfully brought down arsenic level by 62% in a natural water sample and showed good reusability up to 5 consecutive treatment cycles. The results recommended that Ni-Fe LDH/Ch has ample potential for arsenic remediation, and further investigations can be carried out for large-scale applications.

New bismuth oxyiodide/chitosan nanocomposite for ultrasonic waves expedited adsorptive removal of amoxicillin from aqueous medium: kinetic, isotherm and thermodynamic investigations.

Amoxicillin (AMX) is a widely used antibiotic, which induces harmful effects to nature via bioaccumulation and persistence in the environment if discharged untreated into water bodies. In the current study, a novel bionanocomposite, bismuth oxyiodide-chitosan (BiOI-Ch), was synthesized by a facile precipitation method and its amoxicillin (AMX) adsorption capacity in the presence of ultrasonic waves has been explored. Multiple batch experiments were performed to achieve the optimum operational parameters for maximum adsorption of AMX and the obtained results were as follows: pH 3, 80 mg g-1 AMX concentration, 1.7 g L-1 adsorbent dose, temperature 298 K and ultrasonication time 20 min. Composite removed approximately 90% AMX from the solution under optimized conditions, while the maximal adsorption capacity was determined to be 81.01 mg g-1. BiOI-Ch exhibited superior adsorption capacity as compared to pure BiOI (33.78 mg g-1). To understand the dynamics of reaction, several kinetic and isotherm models were also examined. The adsorption process obeyed pseudo-second-order kinetic model (R2 = 0.98) and was well fitted to Freundlich isotherm (R2 = 0.99). The addition of biowaste chitosan to non-toxic bismuth-based nanoparticles coupled with ultrasonication led to enhanced functional groups as well as surface area of the nanocomposite resulting in superior adsorption capacity, fast adsorption kinetics and improved mass transfer for the removal of AMX molecules. Thus, this study demonstrates the synergistic effect of ultrasonication in improved performance of novel BiOI-Ch for potential application in the elimination of persistent and detrimental pollutants from industrial effluent after necessary optimization for large-scale operation.

Recent advances in structural modifications of photo-catalysts for organic pollutants degradation - A comprehensive review.

Over the last few years, industrial and anthropogenic activities have increased the presence of organic pollutants such as dyes, herbicides, pesticides, analgesics, and antibiotics in the water that adversely affect human health and the environment worldwide. Photocatalytic treatment is considered a promising, economical, effective, and sustainable process that utilizes light energy to degrade the pollutants in water. However, certain drawbacks like rapid recombination and low migration capability of photogenerated electrons and holes have restricted the use of photo-catalysts in industries. Hence, despite the abundance of lab-scale research, the technology is still not much commercialized in the mainstream. Several structural modifications in the photo-catalysts have been adopted to enhance the pollutant degradation performance to overcome the same. In this context, the present review article outlines the different advanced heterostructures synthesized to date for improved degradation of three major organic pollutants: antibiotics, dyes, and pesticides. Moreover, the article also emphasizes the degradation kinetics of photo-catalysts and the publication trend in the past decade along with the roadblocks preventing the transfer of technology from the laboratory to industry and new age photo-catalysts for the profitable implications in industrial sectors.

Adsorptive decontamination of paper mill effluent by nano fly ash: response surface methodology, adsorption isotherm and reusability studies.

In the present study, adsorption of colour and other pollutants from agro-based paper mill effluent onto fabricated coal fly ash nanoparticles (CFA-N) have been investigated. Response surface methodology was applied to evaluate the operational conditions for maximum ouster of colour from effluent by nano structured CFA-N. Maximum reduction in colour (92.45%) and other pollutants were obtained at optimum conditions: 60 min interaction time, 60 g/L adsorbent dosage and 80 rpm agitation rate. The regression coefficient values (adjusted R2 = 0.7169; predicted R2 = 0.7539) established harmony between predicted and the experimental data. The adsorption equilibrium results matched perfectly with both Langmuir and Freundlich isotherms with maximum adsorption capacity of 250 platinum-cobalt/g. Additionally, the efficacy of CFA-N was also assessed in a continuous column mode. Furthermore, the feasibility of treated effluent for irrigation purpose was checked by growing the plant Solanum lycopersicum. Overall, the findings demonstrated the outstanding role of inexpensive and abundantly available CFA-N in treatment of paper mill effluent to the required compliance levels.