Synthesis, molecular docking studies and biological evaluation of N-(4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl) benzamides as potential antioxidant, and anticancer agents.

A series of novel chromone derivatives of (N-(4-oxo-2-(trifluoromethyl)-4H-chromen-6-yl) benzamides) were synthesized by treating 7-amino-2-(trifluoromethyl)-4H-chromen-4-one with K2CO3 and/or NaH, suitable alkyl halides and acetonitrile and/or 1,4-dioxane. The obtained products are in high yields (87 to 96%) with various substituents in short reaction times with no more by-products and confirmed by FT-IR, 1H, and 13C-NMR Spectral data. The in vitro cytotoxic activity was examined against two human cancer cell lines, namely the human lung adenocarcinoma (A-549) and the human breast (MCF-7) cancer cell line. Compound 4h showed promising cytotoxicity against both cell lines with IC50 values of 22.09 and 6.40 ± 0.26 µg/mL respectively, compared to that of the standard drug. We also performed the in vitro antioxidant activity by DPPH radical, hydrogen peroxide, NO scavenging, and total antioxidant capacity (TAC) assay methods, and they showed significant activities. The possible binding interactions of all the synthesized chromone derivatives are also investigated against selective pharmacological targets of human beings, such as HERA protein for cytotoxic activity and Peroxiredoxins (3MNG) for antioxidant activity which showed closer binding free energies than the standard drugs and evidencing the above two types of activities.

Development of Novel Peptide-Modified Silver Nanoparticle-Based Rapid Biosensors for Detecting Aminoglycoside Antibiotics.

The detection and monitoring of aminoglycoside antibiotics (AGAs) have become of utmost importance due to their widespread use in human and animal therapy, as well as the associated risks of exposure, toxicity, and the emergence of antimicrobial resistance. In this study, we successfully synthesized casein hydrolysate peptides-functionalized silver nanoparticles (CHPs@AgNPs) and employed them as a novel colorimetric analytical platform to demonstrate remarkable specificity and sensitivity toward AGAs. The colorimetric and spectral response of the CHPs@AgNPs was observed at 405 and 520 nm, showing a linear correlation with the concentration of streptomycin, a representative AGA. The color changes from yellow to orange provided a visual indication of the analyte concentration, enabling quantitative determination for real-world samples. The AgNP assay exhibited excellent sensitivity with dynamic ranges of approximately 200-650 and 100-700 nM for streptomycin-spiked tap water and dairy whey with limits of detection found to be ∼98 and 56 nM, respectively. The mechanism behind the selective aggregation of CHPs@AgNPs in the presence of AGAs involves the amine groups of the target analytes acting as molecular bridges for electrostatic coupling with hydroxyl or carboxyl functionalities of adjacent NPs, driving the formation of stable NP aggregates. The developed assay offers several advantages, making it suitable for various practical applications. It is characterized by its simplicity, rapidity, specificity, sensitivity, and cost-effectiveness. These unique features make the method a promising tool for monitoring water quality, ensuring food safety, and dealing with emergent issues of antibiotic resistance.

Reutilization of carbon of waste filter cartridge after its surface modification for the fluoride removal from water by continuous flow process.

In the present study, the waste carbon cartridge of the water filter was modified and reutilized for defluoridation of water. The modified carbon was characterized by particle size analysis (PSA), Fourier transformed infrared spectroscopy (FTIR), zeta potential, pHzpc, energy-dispersive X-ray (EDS), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and X-ray crystallography (XRD). The adsorptive nature of modified carbon was investigated with pH (4-10), dose (1-5 g/L), contact time (0-180 min), temperature (25-55 °C), fluoride concentration (5-20 mg/L), and the effect of the competitive ions. Adsorption isotherm, kinetics, thermodynamics, and breakthrough studies were evaluated for fluoride uptake on surface-modified carbon (SM*C). Fluoride adsorption on the carbon accepted Langmuir model (R2 = 0.983) and pseudo-second-order kinetic (R2 = 0.956). The presence of HCO3- in the solution reduced the elimination of fluoride. The carbon was regenerated and reused four times; the removal percentage was decreased from 92 to 31.7%. This adsorption phenomenon showed exothermic behavior. The maximum fluoride uptake capacity of SM*C achieved 2.97 mg/g at 20 mg/L of initial concentration. The modified carbon cartridge of the water filter was successfully employed for fluoride removal from water.

Efficiency of Ppy-PA-pani and Ppy-PA composite adsorbents in Chromium(VI) removal from aqueous solution.

In this study, first time the combination of composites with Phytic acid (PA) as the organic binder cross-linker is reported. The novel use of PA with single and double conducting polymers (polypyrrole (Ppy) and polyaniline (Pani)) were tested against removal of Cr(VI) from wastewater. Characterizations (FE-SEM, EDX, FTIR, XRD, XPS) were performed to study the morphology and removal mechanism. The adsorption removal capability of Polypyrrole - Phytic Acid - Polyaniline (Ppy-PA-Pani) was deemed to be higher than Polypyrrole - Phytic Acid (Ppy-PA) due to the mere existence of Polyaniline as the extra polymer. The kinetics followed 2nd order with equilibration at 480 min, but Elovich model confirmed that chemisorption is followed. Langmuir isotherm model exhibited maximum adsorption capacity of 222.7-321.49 mg/g for Ppy-PA-Pani and 207.66-271.96 mg/g for Ppy-PA at 298K-318K with R2 values of 0.9934 and 0.9938 respectively. The adsorbents were reusable for 5 cycles of adsorption-desorption. The thermodynamic parameter, ΔH shows positive values confirmed the adsorption process was endothermic. From overall results, the removal mechanism is believed to be chemisorption through Cr(VI) reduction to Cr(III). The use of phytic acid (PA) as organic binder with combination of dual conducting polymer (Ppy-PA-Pani) was invigorating the adsorption efficiency than just single conducting polymer (Ppy-PA).

Experimentally and spectroscopically evidenced mechanistic study of butyl peroxyacid oxidative degradation of benzo[a]pyrene in soil.

Benzo[a]pyrene (BaP) is a major indicator of soil contamination and categorized as a highly persistent, carcinogenic, and mutagenic polycyclic aromatic hydrocarbon. An advanced peroxyacid oxidation process was developed to reduce soil pollution caused by BaP originating from creosote spills from railroad sleepers. The pH, organic matter, particle size distribution of soil, and concentrations of BaP and heavy metals (Cd, Cu, Zn, Pb, and As) in the BaP-contaminated soils were estimated. A batch experiment was conducted to determine the effects of organic acid type, soil particle size, stirring speed, and reaction time on the peroxyacid oxidation of BaP in the soil samples. Additionally, the effect of the organic acid concentration on the peroxyacid degradation of BaP was investigated using an oxidizing agent in spiked soil with and without hydrogen peroxide. The results of the oxidation process indicated that BaP and heavy metal residuals were below acceptable Korean standards. A significant difference in the oxidative degradation of BaP was observed between the spiked and natural soil samples. The formation of a peroxyacid intermediate was primarily responsible for the enhanced BaP oxidation. Further, butyric acid could be reused thrice without losing the efficacy (<90%). The systematic peroxyacid oxidative degradation mechanism of BaP was also discussed. A qualitative analysis of the by-products of the BaP reaction was conducted, and their corresponding toxicities were determined for possible field applications. The findings conclude that the developed peroxyacid oxidation method has potential applications in the treatment of BaP-contaminated soils.

Predictive capability evaluation and optimization of Pb(II) removal by reduced graphene oxide-based inverse spinel nickel ferrite nanocomposite.

Pb(II) is a heavy metal that is a prominent contaminant in water contamination. Among the different pollution removal strategies, adsorption was determined to be the most effective. The adsorbent and its type determine the adsorption process's efficiency. As part of this effort, a magnetic reduced graphene oxide-based inverse spinel nickel ferrite (rGNF) nanocomposite for Pb(II) removal is synthesized, and the optimal values of the independent process variables (like initial concentration, pH, residence time, temperature, and adsorbent dosage) to achieve maximum removal efficiency are investigated using conventional response surface methodology (RSM) and artificial neural networks (ANN). The results indicate that the initial concentration, adsorbent dose, residence time, pH, and process temperature are set to 15 mg/L, 0.55 g/L, 100 min, 5, and 30 °C, respectively, the maximum removal efficiency (99.8%) can be obtained. Using the interactive effects of process variables findings, the adsorption surface mechanism was examined in relation to process factors. A data-driven quadratic equation is derived based on the ANOVA, and its predictions are compared with ANN predictions to evaluate the predictive capabilities of both approaches. The R2 values of RSM and ANN predictions are 0.979 and 0.991 respectively and confirm the superiority of the ANN approach.

Removal of arsenic from aqueous solution by novel iron and iron-zirconium modified activated carbon derived from chemical carbonization of Tectona grandis sawdust: Isotherm, kinetic, thermodynamic and breakthrough curve modelling.

The aim of the present study was: development of activated carbon modified with iron (Fe@AC) and modified with iron and zirconium (Fe-Zr@AC) from the Tectona grandis sawdust (TGS) waste biomass and its potential applicability for the removal of As (III) from contaminated water by batch and column mode. The biomass waste was pre-treated with ferric chloride (FeCl3) and the mixture of FeCl3 and zirconium oxide (ZrO2) and then pyrolyzed at 500 °C for 2 h. The properties of both bioadsorbents were comprehensively characterized by using Scanning electron microscopy (SEM), Energy dispersive X-ray (EDX), Fourier transform infra-red spectroscopy (FTIR), X-ray diffraction (XRD), Particle Size analysis (PSA), point of zero charge (pHZPC), Brunauer-Emmett-Teller (BET) to prove successful impregnation of the Fe and Zr on the surface of AC of TGS. FTIR analysis clearly indicates the Fe and Fe-Zr complexation on biosorbents surface and biosorption of As (III). The results revealed that maximum As (III) removal was achieved 86.35% by Fe-Zr@AC (3 g/L dose, pH-7.0, temperature-25 °C and concentration 0.5 mg/L). However, maximum removal of As (III) was attained ~75% by Fe@AC (with dose-4g/L, pH-7.0, temperature-25 °C and concentration 0.5 mg/L) at the initial concentration of 0.5 mg/L of As (III). Fe-Zr@AC exhibits higher efficiency with qmax value 1.206 mg/g than Fe@AC with the qmax value 0.679 mg/g for the removal of As(III). While in the column study, Fe-Zr@AC exhibited 98.8% removal at flow rate of 5 mL/min and bed height of 5 cm. Biosorption Isotherm and Kinetics were fitted good with Langmuir isotherm (R2 ≥ 0.99) and followed pseudo-second-order (R2 ≥ 0.99). The regeneration study indicates that the prepared biosorbents efficiently recycled up to five cycles. Therefore, Fe@AC and Fe-Zr@AC derived from TGS has been showed to be novel, effective, and economical biosorbent. The collective benefits of easy development, good affinity towards As (III), good separability, reusability, and inexpensive of magnetized Fe@AC and Fe-Zr@AC make it a novel biosorbent. The application of Fe-Zr@AC for the removal of As (III) from the water was very efficient its concentration in the solution after treatment was found below the 10 µg/L as per the guideline WHO.

Facile synthesis of economical feasible fly ash-based zeolite-supported nano zerovalent iron and nickel bimetallic composite for the potential removal of heavy metals from industrial effluents.

Heavy metals contamination of water is one of the environmental issue globally. Thus prepared fly ash-based zeolite (FZA)-supported nano zerovalent iron and nickel (nZVI/Ni@FZA) bimetallic composite from low-cost fly ash waste for the potential treatment of anion (Cr(VI) and cation Cu(II)) heavy metals from industrial effluents at pH 3 and 5, respectively in this study. The systematic interaction between FZA and nZVI/Ni and the adsorptive removal mechanism was studied. The mean surface area of the nZVI/Ni@FZA (154.11 m2/g) was much greater than that of the FZA (46.6 m2/g) and nZVI (4.76 m2/g) independently, as determined by BET-N2 measurements. The effect of influence factors on the removal of Cr(VI) and Cu(II) by nZVI/Ni@FZA, such as pH effect, initial concentration effect, time effect, temperature effect, coexisting metals, and ionic strength, and cumulative loading ability, were discussed. The maximum adsorption capacity of nZVI/Ni@FZA was 48.31 mg/g and 147.06 mg/g towards Cr(VI) and Cu(II), respectively. These were higher than those of nZVI@FZA and FZA. It demonstrated that Ni could play an important role in enhancing the reduction ability of nZVI. Furthermore, isothermal and kinetic results revealed that both heavy metal adsorption processes were rate limiting monolayer Langmuir adsorption on homogeneous surfaces. Thermodynamic results suggested that the adsorptive removal of metal ions was endothermic with spontaneity. The applicability of nZVI/Ni@FZA on real industrial wastewater treatment results demonstrate that the concentration of heavy metals were removed under the acceptable standard levels. Further the adsorption capacity of nZVI/Ni@FZA was higher than the nZVI@FZA and FZA. The overall results demonstrated that nZVI/Ni@FZA was a promising, efficient, and economically feasible sorbent for potential wastewater treatment. Moreover this is first report on the preparation nZVI/Ni@FZA bimetallic composite.

Process optimization and modeling of lead removal using iron oxide nanocomposites generated from bio-waste mass.

Pb(II) ions in water bodies is a wide concern to the human beings as wells as aquatic organisms. Among various water-treatment techniques, adsorption is generally preferred, but it applications are limited due to the large amount of adsorbent needed and thus the increased operating cost. In this study, iron nanocomposites (T-Fe3O4) are synthesized from bio-waste mass (tangerine peel) and adsorption experiments are carried out for Pb(II) removal from aqueous solution. The characterization studies confirm the mesoporous hexagonal nano-crystalline structure of T-Fe3O4 nanocomposite having less than 100 nm diameter. The adsorption process was optimized using response surface methodology with a central composite design framework. The study of the interaction effects showed that they have significant effect on adsorption removal efficacy. The curvature nature of the contour plots confirmed the interaction intensity among the independent process variables. Based on the analysis, the optimum conditions to achieve 95% of Pb(II) removal were found to be for an initial concentration of 32.5 g/L, the dosage of 0.625 mg/L, the contact time of 95 min and pH of 4.5. Therefore, results confirm that the green synthesized T-Fe3O4 nanocomposite, which showed good efficiency, can be a potential candidate to achieve sustainable water purification.

Adsorptive Removal of Fluoride from Aqueous Solution by Biogenic Iron Permeated Activated Carbon Derived from Sweet Lime Waste.

In this study, biogenic activated carbon were successfully synthesized from Citrus limetta pulp residue, and applied to remove fluoride from an aqueous solution. For the synthesis activated carbon of biosorbents, raw materials were heated in muffle furnace at two different temperatures i.e. (250 °C and 500 °C) and were noted as ACP-250 and ACP-500. The prepared biosorbents were characterized through scanning electron microscopy (SEM), Fourier transform infrared (FTIR), and X-ray diffraction (XRD). Batch adsorption studies were performed with varying temperature, dosage, pH, and various initial concentrations. Adsorption isotherms and the reaction kinetics were also analyzed in order to understand the adsorption mechanism. The results of this study shows that the maximum removal achieved was approximately (86 and 82) % of ACP-500 and ACP-250, respectively. The isotherm results show that the Langmuir isotherm model fitted better, with monolayer adsorption capacity of 12.6 mg/g of fluoride. However, for kinetic study, the pseudo-second-order kinetics fitted well. The synthesized materials at different temperature were highly effective for the removal of fluoride from water, with reusability of three to four times.

Preparation and characterization of porous reduced graphene oxide based inverse spinel nickel ferrite nanocomposite for adsorption removal of radionuclides.

For the removal of uranium(VI) (U(VI)) and thorium(IV) (Th(IV)), graphene oxide based inverse spinel nickel ferrite (GONF) nanocomposite and reduced graphene oxide based inverse spinel nickel ferrite (rGONF) nanocomposite were prepared by co-precipitation of GO with nickel and iron salts in one pot. The spectral characterization analyses revealed that GONF and rGONF have a porous surface morphology with an average particle size of 41.41nm and 32.16nm, respectively. The magnetic property measurement system (MPMS) studies confirmed the formation of ferromagnetic GONF and superparamagnetic rGONF. The adsorption kinetics studies found that the pseudo-second-order kinetics was well tune to the U(VI) and Th(IV) adsorption. The results of adsorption isotherms showed that the adsorption of U(VI) and Th(IV) were due to the monolayer on homogeneous surface of the GONF and rGONF. The adsorptions of both U(VI) and Th(IV) were increased with increasing system temperature from 293 to 333±2K. The thermodynamic studies reveal that the U(VI) and Th(IV) adsorption onto GONF and rGONF was endothermic. GONF and rGONF, which could be separated by external magnetic field, were recycled and re-used for up to five cycles without any significant loss of adsorption capacity.

Activated carbons impregnated with iron oxide nanoparticles for enhanced removal of bisphenol A and natural organic matter.

The removal of bisphenol A (BPA) is important for the provision of safe drinking water, but its removal in the presence of natural organic matter (NOM) is challenging. Thus, the present study involved the fabrication and characterization of powdered activated carbons impregnated with iron oxide nanoparticles (IONPACs) with respect to the simultaneous removal of BPA and NOM. The number of Fe ions loaded into the PAC pores was optimized in terms of exposure time. Impregnation with iron oxide reduced the surface area and pore volume, but the pore size was maintained. IONPAC adsorbents had considerably greater sorption capabilities for BPA and NOM compared to native, bare PAC particles. The adsorption capacities of BPA and NOM were in the following sequence: bare PAC

Iron oxide impregnated Morus alba L. fruit peel for biosorption of Co(II): biosorption properties and mechanism.

Biosorption is an ecofriendly wastewater treatment technique with high efficiency and low operating cost involving simple process for the removal of heavy metal ions from aqueous solution. In the present investigation, Morus alba L. fruit peel powder (MAFP) and iron oxide impregnated Morus alba L. fruit peel powder (IO-MAFP) were prepared and used for treating Co(II) contaminated aqueous solutions. Further the materials were characterized by using FTIR and SEM-EDX analysis. From FT-IR analysis it was found that hydroxyl, methoxy, and carbonyl groups are responsible for Co(II) biosorption. The kinetic data obtained for both biosorbents was well fitted with pseudo-second-order kinetic model. The equilibrium data was in tune with the Langmuir and Freundlich isotherm models. The thermodynamic studies were also carried and it was observed that sorption process was endothermic at 298-328 K. These studies demonstrated that both biosorbents were promising, efficient, economic, and biodegradable sorbents.