Manganese addition effect on structural and physical properties of calcium borovanadate glasses.

New calcium borovanadate glass containing manganese ions within the system x Mn2O3-(30-x) V2O5-50 B2O3-20 CaO has been elaborated* in this work using melt quench process. The primary objective of this research is to examine the influence of introducing Mn2O3 upon the various properties of the elaborated glass specimens including physical, thermal, structural, optical and magnetic properties. X-ray diffraction indicated that the samples prepared were amorphous. The variation in density and molar volume revealed that the structure of the glass matrix cross-links and becomes more compact with increasing Mn2O3 content, which is confirmed when the glass transition temperature is increased. Furthermore, in order to check the group constitution of our glasses, a structural study was carried out using infrared (FTIR) and Raman spectroscopy. The optical characteristics of our vitreous materials were analyzed by UV solid, and the results of the band gap energy and refractive index values revealed an enhancement of non-bridging oxygen atoms (NBOs) with rising Mn2O3 concentration, also suggests that manganese acts as a structure modifier. The low Urbach energy values are an indication that the structure of our glasses is stable and uniform. The magnetic investigation highlighted the presence of the predominant antiferromagnetic order in the glass samples studied, which becomes stronger with the incorporation of more manganese ions into the structure.

Design of Bismuth Tungstate Bi2WO6 Photocatalyst for Enhanced and Environmentally Friendly Organic Pollutant Degradation.

In this study, a chemical precipitation approach was adopted to produce a photocatalyst based on bismuth tungstate Bi2WO6 for enhanced and environmentally friendly organic pollutant degradation. Various tools such as X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM), optical spectroscopy and X-ray photoelectron spectroscopy, were employed to assess the structural and morphological properties. Hence, the XRD profiles showed a well crystallized Bi2WO6 orthorhombic phase. The photocatalytic performance of the resulting photocatalyst was assessed by the decomposition of Rhodamine B (RhB) and methyl orange (MO) with a decomposition efficiency of 97 and 92%, along with the highest chemical oxygen demand of 82 and 79% during 120 min of illumination, respectively. The principal novelty of the present work is to focus on the changes in the crystalline structure, the morphology, and the optical and the photoelectrochemical characteristics of the Bi2WO6, by tuning the annealing temperature of the designed photocatalyst. Such physicochemical property changes in the as-prepared photocatalyst will affect in turn its photocatalytic activity toward the organic pollutant decomposition. The photocatalytic mechanism was elaborated based on electrochemical impedance spectroscopy, photocurrent analysis, photoluminescence spectroscopy, and radical trapping measurements. The overall data indicate that the superoxide O2•- and holes h+ are the principal species responsible for the pollutant photodegradation.

Alginate@ZnCO2O4 for efficient peroxymonosulfate activation towards effective rhodamine B degradation: optimization using response surface methodology.

A facile chemical procedure was utilized to produce an effective peroxy-monosulfate (PMS) activator, namely ZnCo2O4/alginate. To enhance the degradation efficiency of Rhodamine B (RhB), a novel response surface methodology (RSM) based on the Box-Behnken Design (BBD) method was employed. Physical and chemical properties of each catalyst (ZnCo2O4 and ZnCo2O4/alginate) were characterized using several techniques, such as FTIR, TGA, XRD, SEM, and TEM. By employing BBD-RSM with a quadratic statistical model and ANOVA analysis, the optimal conditions for RhB decomposition were mathematically determined, based on four parameters including catalyst dose, PMS dose, RhB concentration, and reaction time. The optimal conditions were achieved at a PMS dose of 1 g l-1, a catalyst dose of 1 g l-1, a dye concentration of 25 mg l-1, and a time of 40 min, with a RhB decomposition efficacy of 98%. The ZnCo2O4/alginate catalyst displayed remarkable stability and reusability, as demonstrated by recycling tests. Additionally, quenching tests confirmed that SO4˙-/OH˙ radicals played a crucial role in the RhB decomposition process.

In silico screening of a series of 1,6-disubstituted 1H-pyrazolo[3,4-d]pyrimidines as potential selective inhibitors of the Janus kinase 3.

Rheumatoid arthritis is a common chronic disabling inflammatory disease that is characterized by inflammation of the synovial membrane and leads to discomfort. In the current study, twenty-seven 1,6-disubstituted 1H-pyrazolo[3,4-d]pyrimidines were tested as potential selective inhibitors of the tyrosine-protein kinase JAK3 using a number of molecular modeling methods. The activity of the screened derivatives was statistically quantified using multiple linear regression and artificial neural networks. To assess the quality, robustness, and predictability of the generated models, the leave-one-out cross-validation method was applied with favorable results (Q2 = 0.75) and Y-randomization. In addition, the evaluation of the predictive ability of the established model was confirmed by means of an external validation using a composite test set and an applicability domain approach. The covalent docking indicated that the tested 1H-pyrazolo[3,4-d]pyrimidines containing the acrylic aldehyde moiety had irreversible interaction with the residue Cys909 in the active sites of the tyrosine-protein kinase JAK3 by Michael addition. The molecular dynamics for three selected derivatives (compounds 9, 12, and 18) were used to verify the covalent docking by determining the stability of hydrogen bonding interactions with active sites, which are needed to stop tyrosine-protein kinase JAK3. The results obtained showed that the tested compounds containing acrylic aldehyde moiety had favorable binding free energies, indicating a strong affinity for the JAK3 enzyme. Overall, this current study suggests that the tested compounds containing the acrylic aldehyde moiety have the potential to act as anti-JAK3 inhibitors. They could be explored further to be used as treatment options for rheumatoid arthritis.Communicated by Ramaswamy H. Sarma.

Current state of copper-based bimetallic materials for electrochemical CO2 reduction: a review.

The increasing CO2 concentration in the atmosphere has caused profound environmental issues such as global warming. The use of CO2 as a feedstock to replace traditional fossil sources holds great promise to reduce CO2 emissions. The electrochemical conversion of CO2 has attracted much attention because it can be powered by renewable sources such as solar energy. In this review article, we provide insight into the important parameters when studying CO2RR and give a comprehensive review on the description of synthesis methods with electrocatalytic CO2 reduction over bimetallic copper-based materials. Due to the important bibliographic data on Cu bimetallic materials, we have limited this review to Sn, In, Pd, Zn and Ag. At the end of this review, challenges and perspectives for further upgrading have been included to briefly highlight the important future considerations of this rapidly growing technology.

Synthesis and luminescence spectroscopy study of a novel orange-red colour emissions phosphor based on Tb3+ ion-doped Na2 ZnP2 O7.

Here, we report the synthesis and study of new orange-red (OR) colour-emitting phosphors Na2 ZnP2 O7 :xTb3+ (x = 1, 1.25, 1.5, and 1.75 mol%) using a conventional solid-state reaction. The sample crystallographic structures and their room temperature photoluminescence properties were measured using X-ray powder diffraction, excitation and emission spectra, as well as emission decay curves. X-ray diffraction analysis showed an isostructural tetragonal structure for all the doped materials with no impurities. Several colour emissions corresponding to 5 D4 →7 F6 (blue), 5 D4 →7 F5 (green), 5 D4 →7 F4 (orange) and 5 D4 →7 F3,2,0 (red) intraconfigurational transitions were observed and investigated. These colours were dominated by the OR colours. 5 D4 energy level lifetime was independent of Tb3+ concentration. Various radiative and luminescence parameters, such as experimental branching ratio, radiative decay rate, and luminescence quantum efficiencies, were calculated and discussed. Chromaticity diagram calculations illustrated an orange emission for all the studied materials.

New amino group functionalized porous carbon for strong chelation ability towards toxic heavy metals.

Herein, ethylenediamine functionalized porous carbon (PC-ED/1.5) was synthesized, then characterized by various methods and finally used as a functional material for Cu(ii) and Pb(ii) ion removal from water. XPS revealed the presence of numerous functionalities within the surface of PC including -NH and C-N-C groups. Furthermore, S BET, RS, XRD and FTIR analyses confirmed the changes implemented on the PC surface. Thereafter, a systematic study was implemented to analyze the interactions of the PC-ED/1.5 surface with Cu(ii) and Pb(ii) heavy metal ions. Hence, adsorption experiments showed that the PC-ED/1.5 exhibits maximum adsorption capacities of 123.45 mg g-1 and 140.84 mg g-1 for Cu(ii) and Pb(ii), respectively. Moreover, in situ electrostatic interactions occurring between the divalent cation and the PC-ED/1.5 functional groups was investigated. The mechanism involves chelation processes, electrostatic interactions and mechanical trapping of the metal ions in the adsorbent pores. Interestingly, a synergistic effect of the pores and surface active sites was observed. Finally, by using alginate bio-polymer we prepared membrane films of PC-ED/1.5 which showed long-term stability, regeneration capabilities and high mass recovery.

High extent mass recovery of alginate hydrogel beads network based on immobilized bio-sourced porous carbon@Fe3O4-NPs for organic pollutants uptake.

This work goes inside the understanding of organic pollutants adsorption mechanism over network alginate hydrogel beads based on immobilized bio-sourced PC@Fe3O4-NPs (PC@Fe3O4-NPs@Alginate) and highlights its high extent mass recovery in aqueous media. The samples were successfully synthesized, we previously developed porous carbon (PC), which, was used to elaborate PC@Fe3O4-NPs via simple in situ coprecipitation (PC@ Fe3O4-NPs), which was encapsulated by alginate-Ca2+ via the blend crosslinking method. The structural, textural, chemical and morphological proprieties of as prepared materials were studied by XRD, FTIR, Raman spectroscopy, nitrogen adsorption-desorption, XPS, SEM and TEM. The adsorption kinetic and isotherm data were well fitted to the pseudo-second-order and Langmuir models. Magnetic particles exhibited an excellent ability to adsorb methylene blue (MB) from aqueous solutions with maximum MB adsorption capacity of 180.42 mg g-1 (PC@Fe3O4 NPs powder) and 49.66 mg g-1 (beads based PC@Fe3O4-NPs@Alginate). Response surface methodology was used to optimize the removal efficiency of MB from aqueous solution and optimum parameters were determined. Magnetic beads based PC showed good magnetic propriety, long-term stability, regeneration capabilities and high extent mass recovery.

Combined Methane Energy Recovery and Toxic Dye Removal by Porous Carbon Derived from Anaerobically Modified Digestate.

Valorization of agri-food organic waste in order to reach zero waste using cleaner methods is still a challenge. Therefore, both anaerobic co-digestion (ACD) (biological process) and adsorption (physicochemical process) were used in combination for this objective. ACD allows the activation of biodegradable organic matter by microbial action and produces a digestate (co-product). This coproduct was used as a raw material to produce porous carbon having a high specific surface area after chemical treatment using sulfuric acid and thermal activations at temperature T = 350 °C. The resulted material was used for the preparation of core-shell particles with a core made of porous carbon and a shell consisting mainly of alginate and a calcium ion layer. The final core-shell particles were then used for dye treating wastewater and solving the solid-liquid separation problem in the adsorption process. We show here that in the ACD process, significant bio-methane potential (BMP) was produced. Furthermore, the data indicate that 153 L CH4 kg·SV-1 of BMP was produced under optimum conditions of pH = 8 and inoculum/load ratio = 1.2. The overall results concerning the methylene blue (MB) adsorption from water onto the core-shell particles show the occurrence of a maximum adsorbed amount equal to 26.178 mg g-1, and good agreement was found between the experimental adsorption data with pseudo-second-order and Langmuir theoretical models. The response surface methodology coupled with the central composite design has allowed the identification of optimal conditions for MB removal and has led to the elucidation of adsorption mechanism and the regeneration of the adsorbent without the occurrence of the solid/liquid separation problem.

The Growth of Photoactive Porphyrin-Based MOF Thin Films Using the Liquid-Phase Epitaxy Approach and their Optoelectronic Properties.

This study reports on the optoelectronic properties of porphyrin-based metal-organic framework (MOF) thin films fabricated by a facile liquid-phase epitaxy approach. This approach affords the growth of MOF thin films that are free of morphological imperfections, more suitable for optoelectronic applications. Chemical modifications such as the porphyrin ligand metallation have been found to preserve the morphology of the grown films making this approach particularly suitable for molecular alteration of MOF thin film optoelectronic properties without compromising its mesoscale morphology significantly. Particularly, the metallation of the ligand was found to be effective to tune the MOF bandgap. These porphyrin-based MOF thin films were shown to function effectively as donor layers in solar cells based on a Fullerene-C60 acceptor. The ability to fabricate MOF solar cells free of a liquid-phase acceptor greatly simplifies device fabrication and enables pairing of MOFs as light absorbers with a wide range of acceptors including non-fullerene acceptors.

Carbon microspheres derived from walnut shell: Rapid and remarkable uptake of heavy metal ions, molecular computational study and surface modeling.

Carbon microspheres were synthesized under nitrogen flow from walnut shells (WS) and then used as an adsorbent for the removal of Pb (II), Cu(II), Cr(III) and Cd(II) metals. The prepared material was characterized using X-ray photoelectron spectroscopy, scanning electron microscopy, Brounauer-emett-teller surface, Fourier transform infrared and Raman spectroscopy. SEM micrographs showed homogenous sphere-like structure with an average diameter of 4.55 µm. The prepared carbon microspheres exhibit selective and rapid removal of hazardous metals from synthetic water samples. The effects of solution pH, contact time and temperatures on the removal process have been systematically investigated. The material used in this present work present the highest adsorption capacities ever reported for Cr(III), Pb(II), Cd(II) and Cu(II) at an optimum pH of 5, the adsorption capacities reached 792, 638, 574 and 345 mg g-1 for Cr(III), Pb(II), Cd(II) and Cu(II), respectively. Density functional calculations (DFT) showed an agreement with the adsorption process results, Cr(III) had stronger binding ability to the OH and/or COOH functional groups followed by Pb, Cu and Cd. The adsorption mechanism was discussed based on the experimental and theoretical results. Finally, the response surface methodology was used to optimize the adsorption conditions.

Kinetics, equilibrium, statistical surface modeling and cost analysis of paraquat removal from aqueous solution using carbonated jujube seed.

This paper reports the removal of paraquat from an aqueous solution using prepared carbonated jujube seed (JS/HSO-700). JS/HSO-700 was characterized by XPS, TGA, FTIR, N2 physisorption, SEM, and Raman techniques. FTIR revealed the presence of active species on the JS/HSO-700 surface. The removal rate of paraquat was investigated as a function of multiple operational factors such as contact time, adsorbent dose and solution pH. Adsorption mechanism was fully investigated based on FTIR, Raman, and BET analyses before and after adsorption. Response surface methodology modeling using central composite design was performed to statistically optimize the adsorption conditions. The experimental paraquat removal efficiency was found to be 96.7 ± 2.02%, whereas the predicted value of the model was 94.31 ± 4.43%, showing that the predicted model values are in good agreement with the experimental value. Finally, cost analysis was performed to confirm the cost of the adsorbent based on energy consumption and reagent costs.