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In the current work, chloro( meso -tetrakis(phenyl)porphyrin) manganese(III) [Mn(TPP)Cl] was synthesized following two steps: the preparation of meso -tetraphenylporphyrin (H ⁠2 TPP) and the insertion of manganese into the free porphyrin H 2 TPP. The compounds were characterized using SEM, FT-IR, UV, TGA/DTA, and XRD analyses. Manganese(III) meso -porphyrins exhibited hyper-type electronic spectra with a half-vacant metal orbital with symmetry, such as [dπ:dxz and dyz]. The thermal behavior of [Mn(TPP)(Cl)] changed (three-step degradation process) compared to the initial H 2 TPP (one-step degradation process), confirming the insertion of manganese into the core of the free porphyrin H 2 TPP. Furthermore, [Mn(TPP)Cl] was used to degrade calmagite (an azo dye) using H 2 O 2 as an oxidant. The effects of dye concentration, reaction time, H 2 O 2 dose, and temperature were investigated. The azo dye solution was completely degraded in the presence of [Mn(TPP)(Cl)]/H 2 O 2 at pH = 6, temperature = 20 °C, C 0 = 30 mg/L, and H 2 O 2 = 40 mL/L. The computed low activation energy (Ea = 10.55 Kj/mol) demonstrated the efficiency of the proposed catalytic system for the azo dye degradation. Overall, based on the synthesis process and the excellent catalytic results, the prepared [Mn(TPP)Cl] could be used as an effective catalyst for the treatment of calmagite-contaminated effluents.

Non-enzymatic glycation of biomolecules by reducing sugars led to several products, including the advanced glycation end products (AGEs), the accumulation of which has been linked to various life-threatening diseases. The binding of AGEs to their respective protein receptors for advanced glycation end products (RAGE) can initiate a cascade of reactions, which may alter physiological conditions. The present work investigates the potential of 4-thiazolidinones as RAGE inhibitors. We performed an extensive computational study to identify the structural requirements needed to act as RAGE inhibitors. To achieve this goal, 4-thiazolidinone-based compounds available in PubChem, ZINC15, ChEMBL, and ChEBI databases were screened against RAGE (PDB: 4LP5), leading to the identification of top five drug-like candidates with a high binding affinity to RAGE V-domain catalytic region. Drug likeness, absorption, distribution, metabolism, excretion, and toxicity (ADMET) of the top-scoring compounds have been studied and discussed. Global molecular descriptors, chemical reactivity, hardness, softness, etc., have been estimated. Finally, molecular dynamics (MD) simulations at 100 ns were carried out to check the stability and other properties. Overall, we believe that the identified compounds can potentially attenuate RAGE-AGE interactions.Communicated by Ramaswamy H. Sarma.

The design and development of new small-molecule glycation inhibitors are essential for preventing various chronic diseases, including diabetes mellitus, immunoinflammation, cardiovascular, and neurodegenerative diseases. 4-Thiazolidinone or thiazolidine-4-one is a well-known heterocyclic compound with the potential to inhibit the formation of advanced glycation end products. In the present work, we report the synthesis and characterization of four new 5-arylidene 3-cyclopropyl-2-(phenylimino)thiazolidin-4-one ( 1 - 4 ) compounds and their human serum albumin glycation inhibitory activity. One of the compounds 5-(2 H -1,3-benzodioxol-5-ylmethylidene)-3-cyclopropyl-2-(phenylimino)-1,3-thiazolidin-4-one ( 3 ) showed potent inhibition in the synthesis of initial, intermediary, and final products of glycation reactions. Besides, conformational changes in the α-helix and β-sheet (due to hyperglycemia) were also found to be reversed upon the addition of ( 3 ). Experimental findings were complemented by computational [molecular docking, ADME/Tox, and density functional theory (DFT)] studies. The docking scores of the compounds were in order 1 > 3 > 2 > 4 , indicating the importance of the polar group at the 5-arylidene moiety. The results of ADME/Tox and DFT calculations revealed the safe nature of the compounds with high drug-likeness and stability. Overall, we speculate that the results of this study could provide valuable insights into the biological activity of 4-thiazolidinones., Competing Interests: The authors declare no competing financial interest., (© 2023 The Authors. Published by American Chemical Society.)

Functionalization and various applications of biomaterials have progressively gained a major interest due to the cost-effectiveness, renewability, and biodegradability of these substrates. The current work focalized on the functionalization of microcrystalline cellulose with polyethyleneimine solution (3 %, 5 %, and 10 %) and hydrazine sulfate salt (1:1, 1:2, 2:1) using an impregnation method. Untreated and treated samples were characterized using FT-IR, SEM, XRD, TGA, and DTA analyses. The crystallinity index values for control microcrystalline cellulose, cellulose-polyethyleneimine, and cellulose-hydrazine were 57.13.8 %, 57.29 %, and 52.62 %, respectively. Cellulose-polyethyleneimine (5 %) and cellulose-hydrazine (1:1) displayed the highest adsorption capacities for calmagite (an anionic dye). At equilibrium, the maximum adsorption capacities for calmagite achieved 104 mg/g for cellulose-polyethyleneimine (5 %), 45 mg/g for cellulose-hydrazine (1:1), and only 12.4 mg/g for untreated cellulose. Adsorption kinetics complied well with the pseudo-second-order kinetic model. The adsorption isotherm fitted well with the Langmuir isotherm. Overall, the functionalized cellulosic samples could be considered potential materials for the treatment of contaminated waters., Competing Interests: Declaration of competing interest The authors declare no conflict of interest., (Copyright © 2022 Elsevier B.V. All rights reserved.)

In this work, pectin biopolymers were functionalized with dichloride (5,10,15,20-tetraphenylporphyrinato) antimony [Sb(TPP)Cl 2 ] at various compositions (0.5%, 1%, and 2%). The prepared compounds were characterized with several analytical methods, including X-ray fluorescence (XRF) spectrometry, Fourier-transform infrared spectroscopy (FT-IR), electrospray ionization mass spectrometry (EIS), scanning electron microscope (SEM), X-ray diffraction (XRD), and thermogravimetric-differential thermal (TGA/DTG) analysis. The XRF technique evidenced the presence of Sb metal in the composite beads. FT-IR suggested that the interaction between pectin and the [Sb(TPP)Cl 2 ] complex was assured by inter- and intramolecular C-H⋯O, C-H⋯Cl hydrogen bonds and weak C-H⋯Cg π interactions (Cg is the centroid of the pyrrole and phenyl rings). The morphological features of the prepared polymeric beads were affected by the addition of [Sb(TPP)Cl 2 ] particles, and the surface became rough. The thermal residual mass for the composite beads (29%) was more important than that of plain beads (23%), which confirmed the presence of inorganic matter in the modified polymeric beads. At 20 °C, the highest adsorption amounts of methylene blue were 39 mg/g and 68 mg/g for unmodified pectin and pectin-[Sb(TPP)Cl 2 ] beads, respectively. The adsorption mechanism correlated well with the kinetic equation of the second order and the isotherm of Freundlich. The prepared polymeric beads were characterized as moderate-to-good adsorbents. The calculated thermodynamic parameters demonstrated an exothermic and thermodynamically nonspontaneous mechanism.

Ligno-cellulosic biomasses had been recognized for their potential use to produce chemicals and biomaterials. The current study focused on the use of a new cellulosic Robinia Pseudoacacia fiber and extracted lignin as adsorbents for methylene blue (a cationic dye). The biomaterials were analyzed using FT-IR spectroscopy, SEM, XRD, and TGA-DTA techniques. The surface of Robinia fibers was rough and porous. The crystallinity index (CrI) value for Robinia fibers was found to be 32%. The ability of the studied samples to remove methylene blue from water was assessed under the variation of time, pH, dye concentration, temperature, and NaCl concentration. The maximum adsorption capacity of methylene blue reached 191 mg/g for Robinia fibers and it achieved 22 mg/g for the extracted lignin ( T  = 20 °C, pH = 6, and time = 90 min). The adsorption data complied with the pseudo second-order kinetic model and both Langmuir and Freundlich isotherms. Based on these findings, the process suggested the occurrence of many physicochemical interactions between methylene blue molecules and the studied biomaterials. The adsorption mechanism was exothermic, non-spontaneous, and it was described by the decrease of the disorder. Adsorption results proved that Robinia fiber was an attractive candidate for the removal of cationic dyes from water.

Chemical modification of a biopolymer offers a simple strategy to realize new materials with added benefits. In this paper, meso-tetrakis(2,4,6-trimethylphenyl) porphyrinto) zinc(II) supported sodium alginate gel beads were successfully prepared, characterized, and used for the removal of a cationic dye from aqueous solution. The chemical structure of the prepared composite beads was confirmed by FT-IR, SEM, XRD and TGA/DTG techniques. Analytical data suggested that the sodium alginate beads and meso-tetrakis(2,4,6-trimethylphenyl) porphyrinto) zinc(II) complex interacted via non-covalent interaction (H-bonding) mode. The morphological micrographs showed spherical and smooth composite beads. The crosslinking of hydroxyl and carboxylate groups of the biopolymer with calcium ions and the incorporation of meso-tetrakis(2,4,6-trimethylphenyl) porphyrinto) zinc(II) into alginate matrix resulted in a small decrease of residual mass. The maximum adsorption capacities of methylene blue, at 20 °C, were found to be 52.3 mg/g and 34.8 mg/g for sodium alginate composite beads (3%) and plain sodium alginate beads, respectively. The adsorption process followed Freundlich isotherm and pseudo second order kinetics. The thermodynamic study displayed an exothermic and non-spontaneous process., (Copyright © 2022. Published by Elsevier B.V.)

In this investigation, Pergularia tomentosa leaves were used as a promising source of bioproducts for the reduction of copper sulfate into copper oxide nanoparticles. The prepared nanoparticles were characterized using Fourier-transform infrared spectroscopy (FT-IR), X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Transmission electron microscopy (TEM), and Thermogravimetric analysis (TGA). FI-IR showed the presence of hydroxyl, ester, and aromatic groups, which are characteristics of phenolics and other bioproducts. SEM features exhibited spherical and agglomerated particles. In EDX data, the peak at 1 Kev, is an index of metallic nanoparticles of copper. The signals related to C and O peaks indicated the presence of phytochemicals in the studied extract. The synthesized copper oxide nanoparticles had a face-centered cubic structure. The size of the nanoparticles varied from 1.7 to 15.2 nm. The adsorption capacity of methylene blue using copper oxide nanoparticles reached 93.2 mg/g (pH = 6, T  = 22 °C, adsorbent dose = 0.0125 g). Additionally, methylene blue solution was completely decolorized after 2 min of reaction (pH = 6, 0.0057 mg NaBH 4 , C 0 = 10 mg/L, catalyst = 0.005 g). NOVELTY STATEMENT In this study, Pergularia tomentosa leaves were used, for the first time, as a biomaterial rich in bioproducts for the reduction of copper sulfate into copper oxide nanoparticles. The prepared particles act as promising materials for the decolorization of contaminated water via both adsorption and degradation processes.

A new pyrazole-tethered thiazolidine-2,4-dione derivative ( 8 ) has been synthesized by the Knoevenagel condensation of 3-(4-nitrophenyl)-1-phenyl-1 H -pyrazole-4-carbaldehyde ( 4 ) and 3-(2,4-dioxothiazolidin-3-yl)propanenitrile ( 7 ). The structure of the final compound was confirmed by standard spectroscopic techniques including IR spectroscopy, 1 H-NMR spectroscopy, and ESI-MS mass spectrometry. Molecular features including frontier molecular orbital (HOMO-LUMO) energies, reactivity descriptors and molecular electrostatic potential (ESP) of the title molecule were determined using density functional theory (DFT) calculation. The in vitro cytotoxicity of both the intermediate ( 4 ) and final ( 8 ) compounds were investigated against cancerous (SW-480 and MCF-7) and normal (HEK-293) cell lines by MTT assay. Compound ( 8 ) displayed higher activity than ( 4 ) with higher sensitivity against breast cancer cell line and lesser toxicity. The experimental data were further complemented by docking and absorption, distribution, metabolism, and excretion (ADME) studies.Communicated by Ramaswamy H. Sarma.

Cellulose substrate waste has demonstrated great potential as a biosorbent of pollutants from contaminated water. In this study, Nerium oleander fruit, an agricultural waste biomaterial, was used for the biosorption of methylene blue from synthetic solution. Fourier-transform infrared (FTIR) spectroscopy indicated the presence of the main absorption peak characteristics of cellulose, hemicellulose, and lignin compositions. X-ray diffraction (XRD) pattern exhibited peaks at 2θ = 14.9° and 2θ = 22°, which are characteristics of cellulose I . Scanning electron microscopy (SEM) showed a rough and heterogeneous surface intercepted by some cavities. Thermogravimetric analysis (TGA) showed more than a thermal decomposition point, suggesting that Nerium fruit is composed of cellulose and noncellulosic matters. The pH pzc value of Nerium surface was experimentally determined to be 6.2. Nerium dosage, pH, contact time, dye concentration, and temperature significantly affected the adsorption capacity. The adsorption capacity reached 259 mg/g at 19 °C. The mean free energy ranged from 74.53 to 84.52 KJ mol -1 , suggesting a chemisorption process. Thermodynamic parameters define a chemical, exothermic, and nonspontaneous mechanism. The above data suggest that Nerium fruit can be used as an excellent biomaterial for practical purification of water without the need to impart chemical functionalization on its surface.

This work reports on the synthesis and characterization of a new porphyrins complex:[Zn(TEBOP)(4,4'-bpy)](4,4'-bipyridine)(5,10,15,20-(tetraethyl-4(4-butyryl)oxyphenyl)porphyrinato)zinc(ii) (3). Single crystal X-ray diffraction, photophysical and electrochemical characteristics were studied. The prepared complex, penta-coordinated zinc(ii) porphyrin derivatives shows moderate ruffling distortion and the zinc atom is nearly planar with the porphyrin core. Tolyl and ethyl-4(4-butyryl)oxyphenyl) moieties at the meso positions present a bathochromic shift of the absorption bands, and a notable increase in the absorption coefficient of the Q(0,0) and Q(0,1) bands was observed with a higher fluorescence quantum yield and lifetime compared with the free base porphyrin. The electrochemical investigation shows a reversible reduction of the synthesized complexes. The catalytic power and the adsorption properties of the prepared complexes were studied for Calmagite degradation, an azoic organic dye. The results reveal that the studied compounds could be used as catalysts for the decolourisation of dyes in the presence of H 2 O 2 ., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)

Water scarcity is a critical global challenge exacerbated by population growth and industrialization. Contamination of water sources by diverse pollutants poses significant threats to public health. Consequently, there is an urgent need for the development of advanced technologies capable of purifying and detoxifying water. Beyond safeguarding health, these water purification technologies play a pivotal role in enabling water recycling to meet demands during periods of limited availability.This review provides a comprehensive overview of various methods for water remediation, encompassing both chemical and biotechnological processes while highlighting distinct water treatment approaches. The key points include the integration of nanotechnology in water remediation as an innovative approach to enhance water treatment efficiency. The article explains various techniques for synthesizing environmentally friendly nanomaterials and discusses their applications in environmental remediation in detail. The use of nanomaterials in water remediation has shown promising results, as they can effectively remove contaminants from water without causing harm to the environment. The review also emphasizes the need for further research to explore the potential of nanotechnology in addressing the global water scarcity issue. Nanomaterials have shown promise in effectively removing contaminants without harming the environment. However, challenges such as addressing long-term toxicity effects on ecosystems, scaling up nanoparticle synthesis, and conducting more pilot studies persist. Future directions should focus on optimizing nanotechnology-based water remediation processes through interdisciplinary research and pilot-scale implementation to ensure efficacy, safety, and scalability. By elucidating key aspects of water remediation, with a spotlight on nanotechnology, the review aims to contribute to a deeper understanding of methods that can mitigate the challenges of water scarcity and contamination. [ABSTRACT FROM AUTHOR]

The characterization of lignocellulosic biomass present in archaeological wood is crucial for understanding the degradation processes affecting wooden artifacts. The lignocellulosic fractions in both the external and internal parts of Moroccan archaeological cedar wood (9th, 12th, and 21st centuries) were characterized using infrared spectroscopy (FTIR-ATR deconvolution mode), X-ray diffraction (XRD), and SEM analysis. The XRD demonstrates a significant reduction in the crystallinity index of cellulose from recent to aging samples. This finding is corroborated by the FTIR analysis, which shows a significant reduction in the area profiles of the C-H crystalline cellulosic bands (1374, 1315, and 1265 cm−1) and C-O-C (1150–1000 cm−1). The alterations in the lignin fraction of aging samples (from the 9th and 12th centuries) were demonstrated by a reduction in the intensity of the bands at 1271 and 1232 cm−1 (Car-O) and the formation of new compounds, such as quinones and/or diaryl carbonyl structures, within the 1700–1550 cm−1 range. The SEM images of cedar wood samples from the 9th and 12th centuries reveal voids, indicating that the entire cell wall component has been removed, a characteristic feature of simultaneous white rot fungi. In addition, horizontal "scratches" were noted, indicating possible bacterial activity. [ABSTRACT FROM AUTHOR]

Anthropogenic activities like fertilization, land use changes, urbanization, and so on development had resultant in emission of uncontrollable amounts of CO2 into the atmosphere. Since the industrialization era, CO2 has increased by 40% (280 ppm in 1750–421 ppm in 2022). Therefore, the present study deals with the application of engineered low-cost activated carbon nanoporous material from Nerium Oleander fruit seeds for the adsorption of CO2 gas. These seeds are abundant in nature, easy to handle, and do not require much processing for making starting material for adsorbent. The surface area and micropore volume of the starting material and prepared materials were studied with the help of a surface area analyser, the presence of various functional groups was observed with FTIR, and its crystalline structure was assessed using XRD pattern, which suggest successful synthesis of the activated carbon material. The study demonstrates the adsorption efficiency of the adsorbents decreases with increase in temperature and flow rate, whereas the height of the adsorbent column enhances the removal of CO2. The activated carbon claims its promising adsorption capacity of 48.6 mg CO2/g at (25 °C) packed into 5 cm column height with a flow rate of 25 mL/min, which is higher than the starting material (14.1 mg CO2/g). The reusability of the activated carbon was studied for up to 4 cycles, which suggests the material was exhausted more than 50% after cycle 2 and can be reused up to cycle 2. Hence, the study suggests that the activated carbon materials prepared using Nerium Oleander seeds can be effectively used for the removal of CO2 gas for making a sustainable future. [ABSTRACT FROM AUTHOR]

The asymmetric unit of the title compound, [Sb(C44H28N4)Cl2][SbCl6], consists of one half of an anti-mony(V) tetra-phenyl-porphyrin complex cation and one half of an hexa-chlorido-anti-monate(V) anion. In the complex cation, the Sb(V) atom lies on an inversion center and is octa-hedrally coordinated by four N atoms from a macrocyclic tetra-phenyl-porphyrinate ligand and two chloride ions. The complex cation has approximately a planar core with a maximum deviation of 0.018 (5) Å from the porphyrin mean plane. The average Sb-N distance is 2.062 (11) Å, while the Sb-Cl distance is 2.355 (1) Å. The Sb(V) atom of the anion is also located on an inversion center. The [SbCl6](-) octa-hedron exhibits rhombic distortion characterized by the Sb-Cl bond lengths [2.311 (3), 2.374 (2) and 2.393 (4) Å]. In the crystal, the cations and anions are linked C-H⋯ Cl hydrogen bonds, forming a layer parallel to (211).

The asymmetric unit of the title complex, [Sb(C(44)H(28)N(4))Cl(2)][Sb(2)Cl(8)](0.5)·CH(2)Cl(2), is composed of a Sb(V) complex cation wherein the Sb atom is hexa-coordinated by four N atoms of the pyrrole rings of the tetra-phenyl-porphyrinate (TPP) ligands and two chloride ions, a half di-μ-chlorido-bis-[trichloridoanti-monate(III)] counter-anion and a dichloro-methane solvent mol-ecule. In the cation, the average Sb-N distance is 2.066 (2) Å, while the Sb-Cl distances are 2.3410 (11) and 2.3639 (12) Å. The central unit of the cation, SbN(4)C(20), is far from being planar, with deviations of atoms from the least-squares plane ranging from -0.110 (4) to 0.124 (4) Å. The Sb-Cl distances in the anion, which is located about an inversion center, lie in the wide range 2.3715 (13)-2.7489 (13) Å, the longest distances being between the Sb and bridging Cl atoms. The crystal structure is stabilized by inter-molecular C-H⋯Cl inter-actions involving the cations, the anions and the solvent mol-ecules. The solvent mol-ecule is disordered over two orientations in a 0.901 (13):0.099 (13) ratio.

In the title dinuclear Nb(V) compound, [Nb(2)(C(44)H(28)N(4))(2)O(3)], each Nb atom is seven-coordinated with three bridging O atoms and four N atoms from a chelating tetra-phenyl-porphyrinate anion. The Nb-O bond lengths range from 1.757 (6) to 2.331 (6) Å, and the average (niobium-pyrrole N atom) distance is 2.239 Å. In the dinuclear mol-ecule, the Nb⋯Nb separation is 2.8200 (8) Å, and the dihedral angle between the two porphyrinate mean planes is 5.4 (1)°. Weak inter-molecular C-H⋯π inter-actions are present in the crystal structure.

Porphyrin complexes are of great importance due to their possible applications as sensors, solar cells and photocatalysts, as well as their ability to bind additional ligands. A valuable source of knowledge on their nature is their electric properties, which can be evaluated employing density functional theory (DFT) methods, supporting the experimental research. The present work aims at the application of small property-oriented basis sets in calculation of electric properties in transition metals, their oxides and test coordination complexes. Firstly, the existing polarized ZPol basis set for the first-row transition metals is modified in order to improve atomic polarizability results. For this purpose, optimization of the f-type polarization function exponent is carried out with respect to the value of average atomic polarizability of investigated metals. Next, both the original and the modified basis sets are employed in finite field CCSD(T) calculation of transition metal oxides' dipole moments, as well as DFT calculation of polarizabilities in porphyrin–zinc and porphyrin–zinc–thiazole complexes. The obtained results show that the ZPol and ZPol-A basis sets can be successfully employed in the calculation of linear electric properties in large systems. The optimization procedure used in the present work can be employed for other source basis sets and elements, leading to new efficient polarized basis sets. [ABSTRACT FROM AUTHOR]

The elimination of titan yellow dye from the aqueous solution was carried out using acid-treated Phyllanthus acidus leaves as an efficient biosorbent. Phyllanthus acidus leaves are capable biosorbent for dye removal with eco-friendly and non-toxic nature. Response surface methodology Box–Behnken design was used to determine numerous operating parameters such as concentration, optimal dosage, time, and pH for the titan yellow dye adsorption. The spent biosorbent was characterized using FTIR, SEM, EDAX, XRD, and BET. The amorphous structure was identified by X-ray diffraction. FTIR analysis identified the presence of C-H, C = O, and O–H functional groups in the dye. A high removal efficiency of 99.55% was achieved for titan yellow dye by acid-treated Phyllanthus acidus leaves with 1.12 g dosage of biosorbent, 68 mg L−1 of initial dye concentration, and pH 7.73 for time 179 min. The adsorption data were estimated using several kinetic models and isotherms. The best fit for the equilibrium data is the Langmuir isotherm. The maximum adsorption capacity of acid-treated Phyllanthus acidus leaves for titan yellow dye has been found to be 237.61 mg g−1 from the Langmuir isotherm. It was observed from the kinetics that the best fit for the TY model is the pseudo-first-order model. Overall, using acid-treated Phyllanthus acidus leaves exhibits potential as an environmentally sustainable and cost-effective adsorbent for removing titan yellow dye from an aqueous solution. [ABSTRACT FROM AUTHOR]

In recent decades, cellulose (Cel) and its modified forms have emerged as a new class of versatile adsorbents for removing dyes from aqueous solutions. This work reports the immobilization of macromolecules obtained from reactions between ethylenediamine (N) and ethylene sulfide (S) in three molar proportions (1:1, 1:2, and 1:4) on the surface of chlorinated cellulose (Cl-Cel), aiming to increase the adsorption capacity of dyes. The materials obtained (NS-Cel, N2S-Cel, and N4S-Cel) were characterized by elemental analysis, which demonstrated immobilization of macromolecules with a ratio of 12 ethylene sulfides to 1 ethylenediamine in the materials NS-Cel and N4S-Cel and a ratio of 10 ethylene sulfides to 1 ethylenediamine in NS-Cel. Intense C-H stretching bands of CH2 groups at 2900 cm−1 in the FT-IR spectra suggest a large amount of the functional group, corroborating the 13C NMR spectra, which presented a signal at 33 ppm referring to methylene carbons. The materials obtained had excellent performance in removing the dyes studied, with the adsorption capacity of the Remazol yellow GR dye being approximately 24 times greater than the raw material (87.70 ± 2.63 mg g−1) for the best-hyperbranched cellulose N4S-Cel and 3.60 ± 0.18 mg g−1 for Cel, and about ten times higher for the dye Remazol red RB (57.84 ± 1.73 mg g−1) for N4S-Cel compared to previously published work for Cel. [ABSTRACT FROM AUTHOR]

The current work aims to investigate if the fibres extracted from the seeds of Coriandrum sativum and Super Paramagnetic Iron Oxide Nanoparticles (SPIONs) coated fibres can be used as a low-cost bio-sorbent for the removal of dyes, antibiotics, and heavy metal from the aqueous medium. Moisture content, ash content, hemicellulose, cellulose, and lignin in the fibre have been determined, and the other characteristics were studied using Fourier Transform Infrared Spectroscopy, Scanning Electron Microscopy, Zeta Potential analysis, and X-ray Diffraction analysis. The seeds and their fibres were coated with Superparamagnetic Iron Oxide Nanoparticles (SPIONs), and characterization studies were carried out. Different adsorbents were discovered to effectively remove various adsorbates under ideal circumstances which were optimized. The removal of anionic and cationic dyes, heavy metal, and antibiotics via the process of adsorption by the extracted fibres and SPION-coated Coriandrum sativum fibres has been explored along with different isotherm models. [ABSTRACT FROM AUTHOR]

Fibres derived from waste can be used in textile industries, cosmetics, wastewater treatment, etc. In the present study, the potential use of biosorbent material obtained from Cucumis melo for the removal of antibiotic, cationic and anionic dyes from aqueous solutions have been investigated. Seed coat from C. melo have been used to extract cellulose fibres which were characterised using ultraviolet–visible spectroscopy (UV–Vis), Fourier-transform infrared spectroscopy (FTIR) and X-ray diffraction spectroscopy (XRD). The rheological properties such as moisture and ash content, amount of cellulose, lignin, hemicellulose of fibre and its thermal stability using thermogravimetric analysis (TGA) and differential thermal analyser (DTA) and bioactivity like antibacterial and antioxidant activities for the seed coat and the extracted fibre were examined. Furthermore, superparamagnetic iron oxide nanoparticles (SPIONs) were synthesised using co-precipitation method and was coated onto the extracted fibre and used for the removal of different dyes and antibiotic. It was observed that SPION-coated muskmelon fibre showed highest removal of dyes—crystal violet, methylene blue, Congo red and antibiotic rifampicin—with the percentage 79.67%, 60.55%, 91.98% and 72.79%, respectively, compared with seed coat and extracted fibre. Results suggest that the biosorbents from C. melo could be an effective and eco-friendly alternative for the removal of pollutants from aqueous contaminations. [ABSTRACT FROM AUTHOR]

Parkinson's disease (PD) is the most common movement disorder worldwide. PD is primarily associated with the mutation, overexpression, and phosphorylation of α-synuclein. At the molecular level, the upstream protein c-Abl, a tyrosine kinase, has been shown to regulate α-synuclein activation and expression patterns. This study aimed to identify potential c-Abl inhibitors through in silico approaches. Molecular docking was performed using PyRx software, followed by Prime MM-GBSA studies. BBB permeability and toxicity were predicted using CBligand and ProTox-II, respectively. ADME was assessed using QikProp. Molecular dynamics were carried out using Desmond (Academic version). DFT calculations were performed using the Gaussian 16 suite program. The binding scores of the top hits, norimatinib, DB07326, and entinostat were - 11.8 kcal/mol, - 11.8 kcal/mol, and - 10.8 kcal/mol, respectively. These hits displayed drug-likeness with acceptable ADME properties, except for the standard, nilotinib, which violated Lipinski's rule of five. Similarly, the molecular dynamics showed that the top hits remained stable during the 100 ns simulation. DFT results indicate DB04739 as a potent reactive hit. While based on toxicity prediction, entinostat may be a potential candidate for preclinical and clinical testing in PD. Further studies are warranted to confirm the activity and efficacy of these ligands for PD., Competing Interests: Declarations. Conflict of interest: The author declares no conflict of interest., (© 2024. The Author(s), under exclusive licence to Springer Nature Switzerland AG.)

The receptor for advanced glycation end products (RAGE) is a multi-ligand receptor with several structural types, performing a myriad of molecular mechanisms. The RAGE-ligand interactions play important roles in maintaining latent chronic inflammation, and oxidative damage underlying various pathological conditions like metabolic syndrome (MetS), neurodegenerative diseases, stroke, cardiovascular disorders, pulmonary disorders, cancer and infections. RAGE is thoroughly explored in knockout animals and human trials, targeted by small molecule inhibitors, peptides, diet, and natural compounds. But it is yet to be incorporated in the mainstream management of any ailment. This review performs an appraisal of the pathological mechanisms influenced by RAGE to uncover its prospects as a biomarker while also assessing its power to become a promising therapeutic target., Competing Interests: Declarations. Ethics approval and consent to participate: The present work did not involve human participation. Competing interests: The authors declare no competing interests., (© 2024. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.)

The synthesized biochars derived from sawdust (SD) SD ozone (SDO) biochar, purified SD (PSD) biochar, and sonicated SD (SSD) biochar, which was employed in the confiscation of methylene blue (MB) dye ion, were characterized employing "Brunauer–Emmett–Teller (BET), scanning electron microscope (SEM), Fourier Transform Infrared (FTIR), and Thermal gravimetrical analysis (TGA)." The impact of various factors, such as pH, biochar dosage, and initial concentration, on MB dye sequestration, was tested in this study. It was found that the biosorption of MB dye to the various biochars was dependent on the solution pH, with optimum confiscation of MB observed at pH 12 for all biochars. Pseudo-second-order (PSO), Freundlich (FRH)- (SDO and SSD biochars), and Langmuir (LNR)- (PSD biochar) models were used to best describe the biosorption process of MB dye to various biochars. Based on the LNR model fitting to the experimental data, the optimum sorption capacities obtained using SDO, SSD, and PSD biochars were 200, 526, and 769 mg/g, respectively. Electrostatic interaction and hydrogen bonding played an important role in the interaction mechanism between the various biochars and MB dye. Hence, these studied SDO, PSD, and SSD biochars prepared from cheap, easily accessible, biodegradable, and non-hazardous agro-waste materials can be effectively used for the removal, treatment, and management of MB dye as well as other industrial effluents before their disposal into the environment. [ABSTRACT FROM AUTHOR]

The present paper underlines the chemical analysis and the valorization of Limoniastrum monopetalum fruits as a low-cost adsorbent. The characterization and the investigation of the adsorption capacity of this new bio-adsorbent are among the novelty of the present paper. Several characterization techniques have been used. The effect of some experimental parameters on the biosorption of methylene blue has been quantified. Indeed, the experiments were performed at different pH values, initial dye concentrations, temperatures, and contact times. The second step consists to fit the kinetic data using several kinetic models. Bangham model and pseudo-first-order model satisfactory fit the experimental data. In the third step, four advanced models obtained from statistical physics are tested to describe the adsorption isotherms. These models are powerful since a physical meaning may be easily attributed to all their adjustable parameters. The use of these models is among the novelty of the study. The monolayer model with one energy seems to be the more suitable to fit the data. The half-saturation concentration and the number n of anchored molecules per site were evaluated. It appears that the investigated fruit could be anchored by one or two dye molecules per site. The adsorption energy varies in the range of 15 to 20 kJ mol−1 depending on the temperature. This confirms that the adsorption proves to be a physisorption process. The maximum biosorption capacity of methylene blue was about 142 mg g−1 for a temperature of 22 °C. It decreases slightly with temperature. The results revealed that Limoniastrum monopetalum fruit is a potential candidate for eliminating cationic dyes from polluted water. [ABSTRACT FROM AUTHOR]

In the present study, the efficacy of low-cost biosorbent obtained from walnut shells for the removal of AFB1 was examined. The characterization of the biosorbent was investigated using SEM, EDS, FTIR, XRD, and pHpzc. Maximum removal (90.5 %) was achieved using 100 mg/mL of biosorbent, pH 7.0 at 45 °C for 45 min with 100 ng/mL of AFB1. The biosorbent's adsorption capacity was found to be 178.9 mg/g as calculated using the Langmuir isotherm and assumption of monolayer AFB1 adsorption with homogenously dispersed adsorption positions on the biosorbent exterior. The kinetic data indicated the fast AFB1 uptake on biosorbent and followed the pseudo-second-order model. The thermodynamic factors revealed that the adsorption process is viable, spontaneous and endothermic. Furthermore, slight decrease in AFB1 adsorption was observed after repeating the adsorption–desorption process for 5 times. In conclusion, the obtained biosorbent is an economically, eco-friendly and promising material for the removal of AFB1. [ABSTRACT FROM AUTHOR]

Water scarcity and contamination have emerged as critical global challenges, requiring the development of effective and sustainable solutions for the treatment of contaminated water. Recently, functionalized polymer biomaterials have garnered significant interest because of their potential for a wide range of water treatment applications. Accordingly, this paper highlights the design of a new adsorbent material based on a cellulosic nonwoven textile grafted with two extracted biopolymers. The layer-by-layer grafting technique was used for the polyelectrolyte multi-layer (PEM) biosorbent production. Firstly, we extracted a Suaeda fruticosa polysaccharide (SFP) and confirmed its pectin-like polysaccharide structure via SEC, NMR spectroscopy, and chemical composition analyses. Afterward, the grafting was designed via an alternating multi-deposition of layers of SFP polymer and carrageenan crosslinked with 1,2,3,4-butanetetracarboxylic acid (BTCA). FT-IR and SEM were used to characterize the chemical and morphological characteristics of the designed material. Chemical grafting via polyesterification reactions of the PEM biosorbent was confirmed through FT-IR analysis. SEM revealed the total filling of material microspaces with layers of grafted biopolymers and a rougher surface morphology. The assessment of the swelling behavior revealed a significant increase in the hydrophilicity of the produced adsorbent system, a required property for efficient sorption potential. The evaluation of the adsorption capabilities using the methylene blue (MB) as cationic dye was conducted in various experimental settings, changing factors such as the pH, time, temperature, and initial concentration of dye. For the untreated and grafted materials, the greatest adsorbed amounts of MB were 130.6 mg/g and 802.6 mg/g, respectively (pH = 4, T = 22 C, duration = 120 min, and dye concentration = 600 mg/L). The high adsorption performance, compared to other reported materials, was due to the presence of a large number of hydroxyl, sulfonate, and carboxylic functional groups in the biosorbent polymeric system. The adsorption process fitted well with the pseudo-first-order kinetic model and Langmuir/Temkin adsorption isotherms. This newly developed multi-layered biosorbent shows promise as an excellent adsorption resultant and cheap-cost/easy preparation alternative for treating industrial wastewater. [ABSTRACT FROM AUTHOR]

Because of their detrimental impacts on water quality and human health, dyes' ubiquitous presence in the aquatic environment has aroused concerns over the last few decades concerning the methods to be employed to eradicate these emerging pollutants. In the ongoing study, raw cactus fruit peel (RCFP) is used as a low-cost, environmentally friendly sorbent to remove the hazardous dye Basic Red 46 (BR46) from aqueous solutions in the current study. The raw biosorbent was firstly characterized using FTIR spectroscopy, SEM, BET, pHpzc and Boheme titration techniques. Respectively, the influencing operational parameters such as pH, biosorbent dosage, stirring speed, temperature, contact time and initial dye concentration were tweaked to obtain a maximum adsorption capacity of 82.58 mg g−1. The Freundlich model was found to better represent the biosorption isotherm, whereas the pseudo-second-order model describes well the kinetic biosorption data obtained. The biosorption process of BR46 onto RCFP was spontaneous and exothermic, and the reuse study revealed the possibility of regeneration of RCFP after 3 successive cycles using HCl as a chemical reagent. Furthermore, the results revealed that raw cactus fruit peel is an untapped potential supply in Algeria, with the potential to provide low-cost environmental removal of additional toxins in the wastewater treatment domain. [ABSTRACT FROM AUTHOR]

Dehydroandrographolide (DA) was isolated and experimentally characterized utilizing FT-IR, UV-Vis, and NMR spectroscopy techniques along with detailed theoretical modelled at the DFT/B3LYP-D3BJ/6-311 + + G(d,p) level of theory. Substantially, molecular electronic property investigations in the gaseous phase alongside five different solvents (ethanol, methanol, water, acetonitrile and DMSO) were comprehensively reported and compared with the experimental results. The globally harmonized scale (GHS), which is used to identify and label chemicals, was also utilized to demonstrate that the lead compound predicted an LD50 of 1190 mg/kg. This finding implies that consumers can safely consume the lead molecule. Notable impacts on hepatotoxicity, cytotoxicity, mutagenicity, and carcinogenicity were likewise found to be minimal to nonexistent for the compound. Additionally, in order to account for the biological performance of the studied compound, in-silico molecular docking simulation analysis was examined against different anti-inflammatory target of enzymes (3PGH, 4COX, and 6COX). From the examination, it can be inferred that DA@3PGH, DA@4COX, and DA@6COX, respectively, showed significant negative binding affinities of -7.2 kcal/mol, -8.0 kcal/mol, and − 6.9 kcal/mol. Thus, the high mean binding affinity in contrast to conventional drugs further reinforces these results as an anti-inflammatory agent. [ABSTRACT FROM AUTHOR]

In this article, the effectiveness of two different application methods (photocatalytic degradation and adsorption) onto the created solid nanomaterials for the removal of malachite green (MG) was investigated. Copper ferrite nanoparticles (CF) and copper ferrite/calcium alginate composite (CG) were synthesized as two studied solid samples. By using XRD, TGA, FTIR, DRS, nitrogen adsorption/desorption isotherm, pHPZC, SEM, and TEM, the physicochemical and morphological properties of the solid samples were tested. Sample dose, pH, initial MG concentration, shaking time, ionic strength, UV light power, and temperature were the key experimental parameters that were established. The obtained results demonstrated that at 40 °C, CG reached a greater adsorption capacity (297.62 mg/g). The spontaneous, endothermic, and advantageous adsorption process of MG was proved by the best fitting of pseudo-second order, Elovich, intra-particle diffusion, Langmuir, Dubinin-Radushkevich, and Temkin models onto all the produced materials. The maximum percentage of MG degradation by CG (89.9%) was accomplished by utilizing 1.0 g/L of catalyst mass, an initial MG concentration of 10 mg/L, and 33 W. Arrhenius and Eyring–Polanyi models well applied the MG photodegradation onto the catalyst surface. [ABSTRACT FROM AUTHOR]

Sodium alginate-based hydrogels are particularly attractive because of their special properties such as biocompatibility, biodegradability, renewability, and ion exchange properties, and their mechanical performance can be greatly improved through forming semi-interpenetrating networks. Herein, a pH/temperature-sensitive semi-interpenetrating network hydrogel was fabricated by photopolymerization of N, N-dimethylacrylamide, N-isopropylacrylamide, and N, N'-methylenebisacrylamide in the presence of sodium alginate. The swelling ratio of the hydrogels reached 3263% in distilled water when the molar ratio of monomer to crosslinker was 150:1 and mass concentration of sodium alginate was 2%. The hydrogels were pH/temperature sensitive, and their swelling behavior had good cycling performance. Selective adsorption experiments showed that the hydrogel had good adsorption selectivity for the cationic methylene blue in binary dye systems. The maximum adsorption capacity was 151.79 mg/g with 250 mg/L methylene blue solution, 35 °C and pH = 10. The adsorption behavior could be well described by Langmuir isothermal model and pseudo-second-order kinetic model, suggesting that methylene blue adsorption was monolayer chemisorption. The adsorption capacity was still 75.91% of the initial adsorption capacity after five consecutive adsorption–desorption cycles, revealing that the adsorbent possessed good regeneration capacity. The efficient adsorbent described here was prepared by a facile strategy, so it holds great potential in wastewater treatment. [ABSTRACT FROM AUTHOR]

The application of nanotechnologies to remove toxic pollutants from water has been intensified during last decades. Nanomaterials could exhibit a unique physicochemical, mechanical, and biological properties. In this work, one-pot synthesis approach was used to obtain organosilica materials with nano-scale pore ordering and chemically immobilized oligosaccharide units possessing high affinity to benzene and its derivatives in aqueous solutions. To clarify the contribution of macrocycle fragments as surface supramolecular centers into the sorption properties of synthesized organosilica nanomaterials, the removal of benzene and phenol from aqueous media by unmodified MCM-41 silicas and organosilicas was conducted. Multibatch experiments were performed at room temperature to study sorption ability of synthesized silica nanomaterials with respect to aromatics in aqueous solutions depending on time and equilibrium concentration. Linear regression analysis as well as nonlinear method were applied to calculate the kinetic models' parameters. It was found that pseudo-second-order and Elovich kinetic models are the most appropriate to describe the process of benzene and phenol sorption on β-cyclodextrin-functionalized MCM-41 silicas with 0.14–0.21 μmol/m2 content of surface oligosaccharide groups. Langmuir, Freundlich, and Redlich-Peterson models were applied for experimental results to simulate the equilibrium sorption processes on synthesized nanomaterials. The close values of determination coefficients estimated by these models indicate the ambiguous character of aromatics sorption on the surface of functionalized MCM-41 silicas due to different supramolecular interaction (host–guest, hydrogen bonding, and π–π stacking). Prepared cyclodextin-silica sorbents show stronger affinity toward benzene than phenol that could be very perspective for selective removal of organic pollutants in water treatment processes. [ABSTRACT FROM AUTHOR]

Over the past few years, population growth, industrial progress and climate change have led to water scarcity. Thus, water pollution caused by hazardous soluble and insoluble pollutants, such as toxic metals and phenolic compounds, has become an important problem that should be dealt with urgently. For instance, new methods have been introduced to convert low-cost raw materials (i.e. coal fly ash and coal bottom ash "wastes-to-resource") into suitable materials for new cleaner production to achieve sustainability goals in wastewater-containing toxic metals and phenolic compounds purification. Obviously, the functionalization of coal fly ash and bottom ash enhances the ability of coal ash-based entities as potential materials in wastewater remediation technologies. Here, we review the application of coal ashes, including coal bottom ash and fly ash-based materials for toxic metals and phenolic compounds removal. We also examine their structural properties and functionalization to enhance their affinities toward these pollutants in aqueous environment. Even though each process has its own benefits and limitations, coal ash-based materials appear promising for the removal of toxic metals and phenolic compounds using adsorption, membrane filtration, and photocatalysis. Overall, the study on the availability of coal fly ash and bottom ash for wastewater treatment have resulted in high removal efficiencies for toxic metals and phenolic compounds. In the future, new recycling methods for coal ashes as new water purification agents should be further studied and advanced processes should be investigated in order to achieve wastewater remediation purposes. [ABSTRACT FROM AUTHOR]

The increasingly serious problem of mercury pollution has caused wide concern, and exploring adsorbent materials with high adsorption capacity is a simple and effective approach to address this concern. In the recent study, dialdehyde cellulose (DAC), cyanoacetohydrazide (CAH), and carbon disulfide (CS2) are used as raw materials for the (DAC@CAH@SK2) preparation material through the three-steps method. By utilizing the following characterization techniques; thermogravimetric analysis (TGA), N2 adsorption–desorption isotherm (BET), elemental analysis, scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), and X-ray diffraction (XRD), 1HNMR and Energy Dispersive X-ray Spectroscopy (EDS) of DAC@CAH@SK2 composite. The point of zero charge (pHPZC) for the prepared DAC@CAH@SK2 also was examined. From the batch experiments, the optimum conditions were found to be pH (5–8), an Hg2+ concentration of 150 mg/L, a DAC@CAH@SK2 dose of 0.01 g, and a contact time of 180 min with a maximum adsorption quantity of 139.6 mg/g. The process of Hg2+ adsorption on the DAC@CAH@SK2 material was spontaneous exothermic, monolayer chemisorption, and well-fitted to Langmuir and pseudo-2nd-order models. The DAC@CAH@SK2 selectivity towards the Hg2+ was examined by investigating the interfering metal ions effect. The DAC@CAH@SK2 was successfully applied for the Hg2+ removal from synthetic effluents and real wastewater samples with a recovery % exceeding 95%. The prepared DAC@CAH@SK2 was regenerated using a mixture of EDTA and thiourea. Also, FT-IR analysis indicates that the synergistic complexation of N and S atoms on DAC@CAH@SK2 with Hg(II) is an essential factor leading to the high adsorption capacity. [ABSTRACT FROM AUTHOR]

Purpose: Factors such as improving living conditions, increasing life expectancy and lifespan in the elderly have led to an increase in the elderly in various societies, including Iran and old age has more leisure than youth due to age conditions and reduced work activity ratio, Therefore, the aim of this study was to foresight the leisure time of the elderly based on the physical activity approach. Method: Using the model of causal layered analysis, in four levels of litany analysis, social causes, discourse and worldview and myth, this research investigates the approach of the layered causal method to the problem. Therefore, by studying the sources in the research literature, interviewing sports and futures research experts and using causal layered analysis, describes the problem at four levels. Findings: Causal layered analysis of the elderly's leisure was defined by the physical activity and exercise approach with 27 indicators and showed that the existence of problems at the four levels is necessary in order to take a more comprehensive look at the nature of problems and issues and to create intellectual order in a structured confrontation with problems. Conclusion: The results showed that in order to plan and accurate policies to meet the needs of the elderly especially in the field of sports and physical activities in the form of leisure, attention to the layer of discourse and myths and metaphors causes the set of constructive actions in these layers to solve some issues at higher levels leading to a bedrock for active Elderly. [ABSTRACT FROM AUTHOR]

Background and Objective: Physical activity is a very important factor in improving women›s health. The significant decline in physical activity, which is a gift of modernity in rural society, threatens the health of this group of women. This study was conducted with the aim of determining the effect of social empowerment on individual, social and environmental factors on the activities performed in rural women. Materials and Methods: This was a semi-experimental before-after study without a control group. 60 women of Kermajan village were randomly selected and examined. Individual factors based on physical activity awareness questionnaires, physical activity performance (IPAQ), physical activity self-efficacy (ESES), perceived barriers and benefits of physical activity (Sechrist) and social environment with social support questionnaire and physical environment with environmental factors questionnaire in It was measured twice before and after the intervention. Data analysis was done through Will Coxon statistical tests using SPSS version 26 software. Results: The average age of the studied women was (30.45 ± 7.31) years. The average awareness of women about physical activity from (3.72 ± 2.68) to (8.68 ± 1.64), the average self-efficacy from (25.52 ± 6.58) to (63.75 ± 6.73) and the average score of environmental barriers from (9.88 ± 2.65) to (18.87 ± 1.84); The average social support from (2.54 ± 8.33) (to (12.75 ± 4.09), the average amount of physical activity from (186.08 ± 93.08) (to (126.08 ± 104.84)) found significant changes (p<0.001). The average understanding of barriers and benefits changed from (143.60 ± 11.79) to (144.82 ± 9.38), which was not significant (p<0.113). Conclusion: Empowering the rural community can lead to increasing awareness and self-efficacy and the level of physical activity of women and increasing social support for rural women and environmental changes needed in rural areas. [ABSTRACT FROM AUTHOR]

Pyrazole derivatives, as a class of heterocyclic compounds, possess unique chemical structures that confer them with a broad spectrum of pharmacological activities. They have been extensively explored for designing potent and selective anticancer agents. In recent years, numerous pyrazole derivatives have been synthesized and evaluated for their anticancer potential against various cancer cell lines. Structure–activity relationship studies have shown that appropriate substitution on different positions of the pyrazole ring can significantly enhance anticancer efficacy and tumor selectivity. It is noteworthy that many pyrazole derivatives have demonstrated multiple mechanisms of anticancer action by interacting with various targets including tubulin, EGFR, CDK, BTK, and DNA. Therefore, this review summarizes the current understanding on the structural features of pyrazole derivatives and their structure-activity relationships with different targets, aiming to facilitate the development of potential pyrazole-based anticancer drugs. We focus on the latest research advances in anticancer activities of pyrazole compounds reported from 2018 to present. [ABSTRACT FROM AUTHOR]

Stalks of brinjal (Solanum melongena), hereinafter SM, have been exercised as an efficient and sustainable adsorbent material for the elimination of Eriochrome Black-T (EBT) from an aqueous solution. The material was characterized by FTIR, FESEM, BET surface area, pHpzc, and proximate analysis. FTIR spectrum suggests the presence of polyphenolic moieties, responsible for successful dye binding. FESEM images show an unprecedented octopus-like texture containing micropores. The central head transforms the architecture of a flower. The evaluated BET surface area of 10.042 m2/g and pore volume 1.055 × 10−2 cm3/g suggest a porous material. The pHpzc of the material was evaluated to be 7.05, and under optimized conditions, the maximum adsorption capacity was found 52.631 mg/g at pH 7. The operational parameters were studied concerning contact time (0–90 min), pH (5–11), initial concentration (10–40 mg/L), and interfering ions (PO4−3, AsO4−3, Hg+2, Pb+2). Adsorption follows Langmuir isotherm best (R2 = 0.996), and pseudo-second-order kinetics (R2 = 0.991) indicate a monolayer and homogeneous adsorption. 83% regeneration was successful with 0.1(M) sodium hydroxide solution. The material can be reused for up to three cycles with 90% efficiency retention. Analysis of EBT containing industrial effluent indicates that 52.62% of EBT can be removed. Brinjal (Solanum melongena), being one of the most cultivated vegetables around the globe, generates voluminous waste as stalks which warrant proper management. With this aim, such stalks were converted to a phytosorbent and selected for removal of Eriochrome black-T (EBT), a dye that is used by industry persons and science students in their laboratory experiments. The prepared material is highly porous, water-stable, regenerable, and reusable. The protocol is economically viable, easy, and efficient for industrial effluent treatment as well. With a notable maximum adsorption capacity of 52.631 mg/g, the material could offer an ideal choice for dye decontamination. [ABSTRACT FROM AUTHOR]

The design and simple, green preparation of dual-functional materials for the decontamination of both hazardous dyes and pathogenic microorganisms from wastewater remain challenging currently. Herein, a promising marine algal carbon-based material (named C-SA/SP) with both highly efficient dye adsorptive and antibacterial properties was fabricated based on the incorporation of sodium alginate and a low dose of silver phosphate via a facile and eco-friendly approach. The structure, removal of malachite green (MG) and congo red (CR), and their antibacterial performance were studied, and the adsorption mechanism was further interpreted by the statistical physics models, besides the classic models. The results show that the maximum simulated adsorption capacity for MG reached 2798.27 mg/g, and its minimal inhibit concentration for Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) was 0.4 mg/mL and 0.2 mg/mL, respectively. The mechanistic study suggests that silver phosphate exerted the effects of catalytic carbon formation and pore formation, while reducing the electronegativity of the material as well, thus improving its dye adsorptive performance. Moreover, the MG adsorption onto C-SA/SP showed vertical orientation and a multi-molecular way, and its adsorption sites were involved in the adsorption process with the increase of temperature. Overall, the study indicates that the as-made dual-functional materials have good applied prospects for water remediation. [ABSTRACT FROM AUTHOR]

In this study, lanthanum (La)-based magnetic biopolymers were synthesized, and the first adsorption study was conducted on the removal of brilliant green dye from aqueous water with these biopolymers. For the adsorption study, adsorption parameters were investigated and the ideal adsorption conditions determined for the removal of brilliant green dye from aqueous solutions are pH 11, t 60 min, m 10 mg, C 0 25 mg/L, T 298 K. It was determined that the adsorption process was compatible with the single-layer Langmuir isotherm, and maximum adsorption capacity obtained according to the Langmuir isotherm was calculated as 256.41 mg/g. The adsorption process was found to be in accordance with the pseudo-second-order, and the adsorption process was explained by intra-particle diffusion. According to studies of adsorption thermodynamics, it has been established that the nature of the adsorption reaction is spontaneous, and this process is endothermic and has increasing randomness. Moreover, the reusability of magnetic lanthanum/alginate (La/Alg) biopolymers was investigated, and it was determined that the biopolymers could be used successfully. In summary, brilliant green dye has been successfully removed with simple, low-cost, environmentally friendly, and easily obtained magnetic La/Alg biopolymers. It can be stated that even low amounts of these biopolymers can be effective in the treatment of highly concentrated dye wastewaters., (© 2024. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.)

Modifying non-precious metal porphyrins at the meso-position is sufficient to further improve the ability to activate O2 and the selectivity of the corresponding redox products. In this study, a crown ether-appended Fe(III) porphyrin complex (FeTC4PCl) was formed by replacing Fe(III) porphyrin (FeTPPCl) at the meso-position. The reactions of FeTPPCl and FeTC4PCl catalysed by O2 oxidation of cyclohexene under different conditions were studied, and three main products, 2-cyclohexen-1-ol (1), 2-cyclohexen-1-one (2), and 7-oxabicyclo[4.1.0]heptane (3), were obtained. The effects of reaction temperature, reaction time, and the addition of axial coordination compounds on the reactions were investigated. The conversion of cyclohexene reached 94% at 70 °C after 12 h, and the selectivity toward product 1 was 73%. The geometrical structure optimization, molecular orbital energy level analysis, atomic charge, spin density, and density of orbital states analysis of FeTPPCl, FeTC4PCl, as well as the oxygenated complexes (Fe-O2)TCPPCl and (Fe-O2)TC4PCl formed after adsorption of O2, were carried out using the DFT method. The results of thermodynamic quantity variation with reaction temperature and Gibbs free energy variation were also analysed. Finally, based on experimental and theoretical analysis, the mechanism of the cyclohexene oxidation reaction with FeTC4PCl as a catalyst and O2 as an oxidant was deduced, and the reaction mechanism was obtained as a free radical chain reaction process. [ABSTRACT FROM AUTHOR]

The isolation of nanocellulose has been extensively investigated due to the growing demand for sustainable green materials. Cellulose nanocrystals (CNCs) and cellulose nanofibers (CNFs), which have the same chemical composition but have different morphology, particle size, crystallinity, and other properties depending on the precursor and the synthesis method used. In comparison, CNC particles have a short rod-like shape and have smaller particle dimensions when compared to CNF particles in the form of fibers. CNC synthesis was carried out chemically (hydrolysis method), and CNF synthesis was carried out mechanically (homogenization, ball milling, and grinding), and both can be modified because they have a large surface area and are rich in hydroxyl groups. Modifications were made to increase the adsorption ability of heavy metal ions. The Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric (TG), and dynamic light scattering (DLS) can reveal the characteristics and morphology of CNCs and CNFs. The success and effectiveness of the heavy metal adsorption process are influenced by a few factors. These factors include adsorbent chemical structure changes, adsorbent surface area, the availability of active sites on the adsorbent's surface, adsorption constants, heavy metal ionic size differences, pH, temperature, adsorbent dosage, and contact time during the adsorption process. In this review, we will discuss the characteristics of CNCs and CNFs synthesized from various precursors and methods, the modification methods, and the application of CNCs and CNFs as heavy metal ion adsorbents, which includes suitable isotherm and kinetics models and the effect of pH on the selectivity of various types of heavy metal ions. [ABSTRACT FROM AUTHOR]

BACKGROUND: Nowadays, grandparents have a major role in taking care of their grandchildren. Also, caring for grandchildren is a common and normative experience for many Iranian grandparents. The present study aimed to compare the quality of life of physically active and inactive grandmothers caring and non-caring for grandchildren. METHODS: This analytical cross-sectional study was conducted on 300 grandmothers at the age range of 50 to 70 years old, who lived in Bojnurd, northeastern Iran (2018). Data were collected using the questionnaires of 36-Item Short Form Health Survey (SF-36) and Baecke Physical Activity, and demographic information. RESULTS: The total scores of quality of life in caring physically active, physically inactive, non-caring physically active and noncaring physically inactive grandmothers were 76.95±6.33, 71.74±9.41, 75.56±5.9, and 56.06±11.23, respectively. There was a significant difference in the comparison of the quality of life score in caring grandmothers in two active and inactive groups (P<0.001). In addition, the quality of life score of non-caring grandmothers indicated a significant difference in physically active and inactive grandmothers (P<0.001). CONCLUSION: According to the results of this study, it seems that caring physically active grandmothers have higher quality of life. It can be suggested that the grandmothers who care for their grandchildren may improve their health and quality of life by incorporating the programs to increase physical activities in their daily life. [ABSTRACT FROM AUTHOR]

In search of robust catalysts for redox transformations such as the hydrogen evolution reaction (HER) or CO2 to CO reduction, we stepped on the previously reported meso-tetrakis(3,4,5-trimethoxyphenyl)porphyrinato cobalt(II) complex [Co(TTMPP)]. We prepared [Co(TTMPP)] in good yields and characterized it by IR, UV-vis absorption, photoluminescence spectroscopy, and cyclic voltammetry (CV). The [Co(TTMPP)] was used as a homogeneous catalyst for the electrochemical formation of H2 (HER) in DMF (N,N'-dimethylformamide)/TFA (trifluoroacetic acid) and DMF/EtN3BF4 solutions, with high faradic efficiencies (FE). Additionally, the reduction of CO2 to CO in DMF under a CO2 atmosphere was catalyzed in DMF/TFE (TFE = 2,2,2-trifluoroethanol) and DMF/PhOH with high FE and only traces of H2 as a by-product. Turnover frequencies of 15.80 or 9.33 s−1, respectively were determined from CV experiments or controlled potential electrolysis in the presence of 1eq. TFE. They were lower with PhOH as proton source with 13.85 or 8.31 s−1, respectively. Further, [Co(TTMPP)] as a solid catalyst (suspension) allowed the photodecomposition of the organic dyes methylene blue (MB) and rhodamine B (RhB) using H2O2 under visible light irradiation. The photocatalyst was photostable over five cycles. A photocatalytic mechanism was proposed based on trapping experiments of reactive oxygen species. [ABSTRACT FROM AUTHOR]