Cefixime removal via WO3/Co-ZIF nanocomposite using machine learning methods.

In this research, an upgraded and environmentally friendly process involving WO3/Co-ZIF nanocomposite was used for the removal of Cefixime from the aqueous solutions. Intelligent decision-making was employed using various models including Support Vector Regression (SVR), Genetic Algorithm (GA), Artificial Neural Network (ANN), Simulation Optimization Language for Visualized Excel Results (SOLVER), and Response Surface Methodology (RSM). SVR, ANN, and RSM models were used for modeling and predicting results, while GA and SOLVER models were employed to achieve the optimal conditions for Cefixime degradation. The primary goal of applying different models was to achieve the best conditions with high accuracy in Cefixime degradation. Based on R analysis, the quadratic factorial model in RSM was selected as the best model, and the regression coefficients obtained from it were used to evaluate the performance of artificial intelligence models. According to the quadratic factorial model, interactions between pH and time, pH and catalyst amount, as well as reaction time and catalyst amount were identified as the most significant factors in predicting results. In a comparison between the different models based on Mean Absolute Error (MAE), Root Mean Square Error (RMSE), and Coefficient of Determination (R2 Score) indices, the SVR model was selected as the best model for the prediction of the results, with a higher R2 Score (0.98), and lower MAE (1.54) and RMSE (3.91) compared to the ANN model. Both ANN and SVR models identified pH as the most important parameter in the prediction of the results. According to the Genetic Algorithm, interactions between the initial concentration of Cefixime with reaction time, as well as between the initial concentration of Cefixime and catalyst amount, had the greatest impact on selecting the optimal values. Using the Genetic Algorithm and SOLVER models, the optimum values for the initial concentration of Cefixime, pH, time, and catalyst amount were determined to be (6.14 mg L-1, 3.13, 117.65 min, and 0.19 g L-1) and (5 mg L-1, 3, 120 min, and 0.19 g L-1), respectively. Given the presented results, this research can contribute significantly to advancements in intelligent decision-making and optimization of the pollutant removal processes from the environment.

Enhancement of the catalytic performance of Co-ZIF/WO3 heterostructures for selective catalytic reduction of NOx.

Nitrogen oxides (NOx) are one of the growing air pollutants in industrial countries, and their emissions are regulated by stringent legislation. Therefore, the design of the catalyst comprised of metal oxides and ZIFs a potential solution for improving selective catalytic reduction (SCR) of NOx. Here, an efficient strategy was described to fabricate Co-ZIF/WO3 heterostructures for SCR of NOx. First, WO3 nanostructures were fabricated by the solvothermal method, and subsequently epitaxial growth of ZIF-67 on the metal oxide surface to create a new type of semiconductor Co-ZIF/WO3 heterostructures. The obtained heterostructures were systemically characterized by wide-angle XRD, FESEM, UV DRS, FT-IR, AFM, and TEM spectroscopies. The Co-ZIF/WO3 heterostructures shift the temperature corresponding to the maximum conversion around 50 °C towards lower temperatures. The maximum conversion is substantially enhanced from 55% at 400 °C to 78% at 350 °C. The enhanced activity is attributed to better interaction and synergic effect of WO3 incorporated into ZIF-67 and also the electron transfer facility between the WO3 and Co species in Co-ZIF/WO3 heterostructures. Moreover, Co-ZIF/WO3 results in a distinct effect on the production of carbon monoxide (CO) in the product gas stream. The current study highlights some of the challenges in the development of semiconductor-based heterostructures for a decrease in air pollution.

Development of CuMnxOy (x = 2, and y = 4)-GO heterostructure for the synthesis of pyranoquinoline derivatives.

The pyranoquinoline derivatives are synthetically important due to their biological properties. In this research, these derivatives were produced through an environmentally friendly method. This method includes the use of CuMnxOy (x = 2, and y = 4)-GO as a nanocatalyst, which is easy to produce, has excellent performance, cost-effectiveness, and recyclability among its features, and also the use of water as a green solvent. Pyranoquinolines through the one-pot, the multi-component reaction between different derivatives of aryl glyoxal, ethyl cyanoacetate, and 4-hydroxyquinoline-2(1H)-one were synthesized using nanocatalyst, K2CO3, and H2O. Also, the structure of the CuMnxOy-GO nanocatalyst was evaluated and confirmed via different analyses. The distinguishing features of this work compared to previous works are easy workup, recyclability of nanocatalyst, facile synthesis process, and provide high yields of products.

A novel strategy for stabilization of sub-nanometric Pd colloids on kryptofix functionalized MCM-41: nanoengineered material for Stille coupling transformation.

The stabilization of sub-nanometric metal particles (< 1 nm) with suitable distribution remained challenging in the catalytic arena. Herein, an intelligent strategy was described to anchoring and stabilizing sub-nanometric Pd colloids with an average size of 0.88 nm onto Kryptofix 23 functionalized MCM-41. Then, the catalytic activity of Pd@Kryf/MCM-41 was developed in Stille coupling reaction with a turnover frequency (TOF) value of 247 h-1. The findings demonstrate that porous MCM-41 structure and high-affinity Kryptofix 23 ligand toward adsorption of Pd colloids has a vital role in stabilizing the sub-nanometric particles and subsequent catalytic activity. Overall, these results suggest that Pd@Kryf/MCM-41 is a greener, more suitable option for large-scale applications and provides new insights into the stabilization of sub-nanometric metal particles.

Degradation of ciprofloxacin using hematite/MOF nanocomposite as a heterogeneous Fenton-like catalyst: A comparison of composite and core-shell structures.

A novel strategy was described to fabricate hematite-MOF materials with morphologies (core-shell) and (composite) as an efficient peroxymonosulfate (PMS) activator for degrading ciprofloxacin (CIP) antibiotics. First, α-Fe2O3 nanoparticles (NPs) with a size distribution range of 80 nm were prepared by surfactant-assisted reflux method. Then, cobalt-based metal-organic framework (ZIF-67) was grown onto the α-Fe2O3 NPs with ultrasonic and solvothermal method, which can control the nanostructures morphology. The physicochemical properties of these nanostructures were probed by ATR-IR, WA-XRD, FESEM, VSM, TEM, and EDS spectroscopy. The results showed that all the added CIP (20 ppm) antibiotics were completely degraded in 30 min in the α-Fe2O3/ZIF-67 (0.10 g/L) and PMS (0.20 g/L) system with rate constant of 0.130 min-1. To validate the merits of the α-Fe2O3/ZIF-67, α-Fe2O3@ZIF-67 core-shell nanostructures were also applied under similar conditions. The findings demonstrated that Co/Fe species within α-Fe2O3/ZIF-67 composite catalyzed PMS synergistically to the formation of the OH and SO4- and 1O2 for CIP degradation. Furthermore, α-Fe2O3/ZIF-67 showed good recyclability enabling facile separation of the catalyst from reaction mixtures using an external magnet. The current protocol can be a useful criterion in designing various Magnetic-MOF composites with controlled morphologies for environmental remediation.

Anchoring Pd-nanoparticles on dithiocarbamate- functionalized SBA-15 for hydrogen generation from formic acid.

Hydrogen (H2) generation from natural biological metabolic products has remained a huge challenge for the energy arena. However, designing a catalytic system with complementary properties including high surface area, high loading, and easy separation offers a promising route for efficient utilization of nanoreactors for prospective H2 suppliers to a fuel cell. Herein, selective dehydrogenation of formic acid (FA) as a natural biological metabolic product to H2 and CO2 gas mixtures has been studied by supporting ultrafine palladium nanoparticles on organosulfur-functionalized SBA-15 nanoreactor under ultrasonic irradiation. The effects of the porous structure as a nanoreactor, and organosulfur groups, which presented around the Pd due to their prominent roles in anchoring and stabilizing of Pd NPs, studied as a superior catalyst for selective dehydrogenation of FA. Whole catalytic systems were utilized in ultrasonic irradiation in the absence of additives to provide excellent TOF/TON values. It was found that propose catalyst is a greener, recyclable, and more suitable option for the large-scale application and provide some new insights into stabilization of ultra-fine metal nanoparticle for a variety of applications.

Boosting Aerobic Oxidation of Alcohols via Synergistic Effect between TEMPO and a Composite Fe3O4/Cu-BDC/GO Nanocatalyst.

Fabrication of a nanocomposite catalyst via a novel and efficient strategy remains a challenge; Fe3O4 nanoparticles anchored on graphene oxide (GO) sheet-supported metal-organic frameworks (MOFs). In this study, the physicochemical properties of the ensuing Fe3O4/Cu-BDC/GO are investigated using Fourier transform infrared spectrum, scanning electron microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, energy-dispersive X-ray detector, and atomic absorption spectroscopy. The salient features of the nanocomposite such as Cu-MOF, synergistic effect with GO sheets, and magnetic separation characteristics make it an excellent ternary heterostructure for aerobic oxidation of alcohols. The proposed nanocatalyst and co-catalyst 2,2,6,6-tetramethylpiperidine-N-oxyl substantially enhance the catalytic performance for the aerobic oxidation under very mild and sustainable reaction conditions. The heterogeneity of Fe3O4/Cu-BDC/GO composite catalyst is affirmed with the added advantage that the initial activity is well maintained even after seven cycles.

Formation and stabilization of colloidal ultra-small palladium nanoparticles on diamine-modified Cr-MIL-101: Synergic boost to hydrogen production from formic acid.

Ultra-small nano-sized palladium particles were successfully stabilized within the pores of diamine groups grafted open metal site metal-organic frameworks of Cr-MIL-101; coordinated diamine groups of ethylene diamine (ED) and propyl diamine (PD) on the active site of chromium units of Cr-MIL-101. The physiochemical properties of the Pd@Cr-MOFs were investigated using FTIR, XRD, SEM/EDX mapping, TEM, BET, and AAS. The Cr-MIL-101 stabilized ultra-small Pd nanoparticles, Pd@(ethylene diamine)/Cr-MIL-101, and Pd@(propyl diamine)/Cr-MIL-101, displayed catalytic activity for clean dehydrogenation of formic acid and generation of hydrogen at room temperature. The resultant Pd@ED/Cr-MIL-101 catalyst indicates high catalytic activity with turnover frequency (TOF) of 583 h-1 at 328 K, which is superior to most of the reported catalysts, including Pd@PD/Cr-MIL-101 with TOF 532 h-1. Our studies open up a new method to the design of an ultra-small metal nanoparticle for the catalytic dehydrogenation of HCOOH.

Pd-grafted open metal site copper-benzene-1,4-dicarboxylate metal organic frameworks (Cu-BDC MOF's) as promising interfacial catalysts for sustainable Suzuki coupling.

In this work, open metal site metal-organic framework of Cu-BDC was selected as a support for the multi-step grafting of palladium. The palladium ions was coordinated onto the Schiff base-decorated Cu-BDC pore cage, that this bifunctional Pd@Cu-BDC/Py-SI catalyst was successfully applied for Suzuki cross-coupling reaction. Recyclability test for the Pd@Cu-BDC/Py-SI catalyst showed a successful reusability for 7 runs.