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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.

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.)

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.

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]

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]

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]

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]

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]

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]

Porphyrins have a large π–π conjugation force between molecules, and they are easy to aggregate in solution, which affects the photoelectric properties of porphyrins. Connecting porphyrins to polymer links through covalent bonds not only retains the mechanical properties and thermal stability of polymer materials, but also has the photoelectric properties and catalytic properties of porphyrins, which improves the availability of materials. In this study, first, a porphyrin ligand with double bonds in the side chain was designed and the corresponding copper and zinc complexes were synthesized by adjusting the metal ions in the center of the pyrrole ring. Then, the metalloporphyrin complexes were copolymerized with methyl methacrylate (MMA), and two metalloporphyrin/PMMA copolymers were obtained: CPTPPCu/PMMA and CPTPPZn/PMMA. The structure of the compounds was characterized by IR, 1H NMR, MS, and UV-Vis spectra. Metalloporphyrin/PMMA copolymers were prepared into electrospun fiber materials by electrospinning. The morphology of the composites was studied by SEM, and the thermal stability and optical properties of electrospun fibers were studied by TGA and FL. The catalytic activity of electrospun fiber materials for the degradation of organic dyes was studied. The results showed that the efficiency of the metalloporphyrin/PMMA copolymer in photocatalytic degradation of methylene blue (MB) was better than that of the PMMA electrospun fiber blended with metalloporphyrin. [ABSTRACT FROM AUTHOR]

Biochars that are the subjects of this report have been obtained from the residue of supercritical extraction of common nettle seeds with CO2. The residue was subjected to direct activation with carbon(IV) oxide as an activator. The obtained biochars were found to have a specific surface area inthe range of 888–1024 m2/g and a basic surface. They were used for the adsorption of a liquid organic pollutant (methylene blue) and a gas inorganic pollutant (NO2). As follows from the test results, the biochars were able to adsorb 150–239 mg of the dye. The Langmuir model was found to better describe the adsorption experimental data, while the kinetics of the process was better described by the pseudo-second-order model. From the thermodynamic analysis, it was inferred that the adsorption of methylene blue from a water solution was an endothermic and spontaneous reaction. It was established that elevated temperature of activation and the presence of air stream during adsorption had a positive impact on the adsorption of NO2 by the biochars studied. The greatest sorption capacity of the biochars towards NO2 was 59.1 mg/g. [ABSTRACT FROM AUTHOR]

The design of the good-performance materials for toxic formaldehyde (CH2O)-gas-detection is critical for environmental preservation and human health. In this work, density functional theory (DFT) calculations were employed to investigate the adsorption behavior and electronic properties of CH2O on transition metal (TM)-doped phthalocyanine monolayers. Our results prove that PdPc and RuPc monolayers are thermodynamically stable. Analysis of the adsorption energy showed that the CH2O gas molecule was chemisorbed on the RuPc monolayer, while it was physisorbed on the PdPc nanosheet. The microcosmic interaction mechanism within the gas-adsorbent system was revealed by analyzing the density of states, the charge-density difference, the electron-density distribution, and the Hirshfeld charge transfer. Additionally, the RuPc monolayer was highly sensitive to CH2O due to the obvious changes in electrical conductivity, and the recovery time of CH2O molecule was predicted to be 2427 s at room temperature. Therefore, the RuPc monolayer can be regarded as a promising gas-sensing material for CH2O detection. [ABSTRACT FROM AUTHOR]

Encapsulation is a process in which a base material is encapsulated in a wall material that can protect it against external factors and/or improve its bioavailability. Among the different encapsulation techniques, ionic gelation stands out as being useful for thermolabile compounds. The aim of this work was to encapsulate Saccharomyces boulardii by ionic gelation using agavins (A) and whey protein (WP) as wall materials and to evaluate the morphostructural changes that occur during in vitro gastrointestinal digestion. Encapsulations at different levels of A and WP were analyzed using microscopic, spectroscopic and thermal techniques. Encapsulation efficiency and cell viability were evaluated. S. boulardii encapsulated at 5% A: 3.75% WP (AWB6) showed 88.5% cell survival after the simulated gastrointestinal digestion; the bead showed a significantly different microstructure from the controls. The mixture of A and WP increased in the survival of S. boulardii respect to those encapsulated with alginate, A or WP alone. The binary material mixture simultaneously allowed a controlled release of S. boulardii by mostly diffusive Fickian mechanisms and swelling. The cell-release time was found to control the increment of the Damköhler number when A and WP were substrates for S. boulardii, in this way allowing greater protection against gastrointestinal conditions. [ABSTRACT FROM AUTHOR]

Diospyros kaki leaf extract was used in this study as a favorable basis for the synthesis of copper nanoparticles (Cu NPs). X-ray diffraction (XRD) and UV-visible spectroscopy approaches were used to characterize the biologically synthesized copper nanoparticles. The XRD analysis showed that copper nanoparticles were face-centered cubic structure. Various experimental levels like conc. of dye, concentration of Cu NPs, pH, reaction time, and temperature were optimized to decolorize reactive red 81 dye using the synthesized Cu NPs. Reactive red 81 dye was decolorized maximum using Cu NPs of 0.005 mg/L. Additionally, reactive red 81 dye was decolorized at its maximum at pH = 6 , temperature = 50 ° C. Our study reported that chemical oxidation demand (COD) and total organic carbon (TOC) deduction efficacies were 74.56% and 73.24%. Further degradation study of reactive red 81 dye was also carried out. Cu NPs have the ability and promising potential to decolorize and degrade reactive red 81 dye found in wastewater. [ABSTRACT FROM AUTHOR]

Introduction: The sedentary and mechanical lifestyle and on the other hand, many problems that have arisen during the covid-19 pandemic have affected the indicators of the quality of life and isolation and social support of the elderly. Therefore, this research was conducted with the aim of comparing the quality of life, support and social isolation of active and inactive elderly people during the Covid-19 pandemic. Methods: The descriptive research method was of comparative causal type. The statistical population of the research is the elderly over 60 years old in Lahijan city in 1401, where 213 people were selected by referring to parks, swimming pools, clubs and nursing homes. The data collection tools included the demographic profile form and quality of life questionnaires of Lipad (1998), social support by Zammit et al. (1988) and social isolation by Madrasi et al. (2016). Data were analyzed using Kolmogov Smirnov, Levin, variance and covariance tests with SPSS software version 25. Results: The results showed that there is a significant difference (0.001) between the quality of life, isolation and social support of active and inactive elderly with emphasis on the period of covid-19 (P≤0.001). Conclusion: It seems that physical activity and participation in sports activities, due to being in public places, is an important variable in reducing social isolation and increasing social support, and taking into account that it can improve the quality of life of the elderly from a physical point of view. And raise the mouth. [ABSTRACT FROM AUTHOR]

Trialkyl and triaryl phosphines are important classes of ligands in the field of catalysis and materials research. The wide usability of these low-valent phosphines has led to the design and development of new synthesis routes for a variety of phosphines. In the present work, we report the synthesis and characterization of some mixed arylalkyl tertiary phosphines via the Grignard approach. A new asymmetric phosphine is characterized extensively by multi-spectroscopic techniques. IR and UV–Vis spectra of some selected compounds are also compared and discussed. Density functional theory (DFT)-calculated results support the formation of the new compounds. [ABSTRACT FROM AUTHOR]

This study describes the synthesis, theoretical investigations, and photocatalytic degradational properties of a new (pyrazine)(meso-tetrakis(4-tert-methoxyphenyl)-porphyrinato)-cadmium (II) ([Cd(TMPP)-Pyz]) complex (1). The new penta-coordinated CdII porphyrin complex (1) was characterized by various spectroscopic techniques, including FT-IR, NMR, UV-visible absorption, fluorescence emission, and singlet oxygen, while its molecular structure was studied using single crystal X-ray diffraction. The UV–Vis spectroscopic study highlighted the redshift of the absorption bands after the insertion of the Cd(II) metal ion into the TMPP ring. The co-coordination of the pyrazine axial ligand enhanced this effect. A fluorescence emission spectroscopic study showed a significant blueshift in the Q bands, accompanied by a decrease in the fluorescence emission intensity and quantum yields of Φf = 0.084, Φf = 0.06 and Φf = 0.03 for H2-TMPP free-base porphyrin, [Cd(TMPP)] and [Cd(TMPP)(Pyz)] (1) respectively. Singlet oxygen revealed that the H2-TMPP porphyrin produced the most efficient singlet oxygen quantum yield of (ΦΔ = 0.73) compared to [CdTMPP] (ΦΔ = 0.57) and [Cd(TMPP)(Pyz)] (1) (ΦΔ = 0.13). In the crystal lattice, the [Cd(TMPP)Pyz] was stabilized through non-covalent intermolecular interactions (NCI), such as the hydrogen bonds C-H···N and C-H···Cg. Additionally, crystal explorer software was then utilized to measure the quantitative analysis of the intermolecular interactions in the unit cell of the crystal structure and established that the C-H···π interaction dominated. The Natural bond orbital (NBO) analysis revealed that each molecule is stabilized by hyperconjugation and charge delocalization. As a photocatalyst, the coordination complex 1 showed excellent photocatalytic activity toward the degradation of Levafix Blue CA reactive dye (i.e., dye photo-degradation of 80%). [ABSTRACT FROM AUTHOR]

Inspired by the natural photosynthetic system in which proteins control the electron transfer from electron donors to acceptors, in this research, artificial polymers were tried to achieve this control effect. Polyvinylpyrrolidone (PVP) was found to form complex with pigments 5,10,15,20-tetrakis-(4-sulfonatophenyl) porphyrin (TPPS) and its zinc complex (ZnTPPS) quantitatively through different interactions (hydrogen bonds and coordination bonds, respectively). These complex formations hinder the interaction between ground-state TPPS or ZnTPPS and an electron acceptor (methyl viologen, MV2+) and could control the photoinduced electron transfer from TPPS or ZnTPPS to MV2+, giving more electron transfer products methyl viologen cationic radical (MV+•). Other polymers such as PEG did not show similar results, indicating that PVP plays an important role in controlling the photoinduced electron transfer. [ABSTRACT FROM AUTHOR]

The meso-tetrakis(4-(trifluoromethyl)phenyl)porphyrinato cobalt(II) complex [Co(TMFPP)] was synthesised in 93% yield. The compound was studied by 1H NMR, UV-visible absorption, and photoluminescence spectroscopy. The optical band gap Eg was calculated to 2.15 eV using the Tauc plot method and a semiconducting character is suggested. Cyclic voltammetry showed two fully reversible reduction waves at E1/2 = −0.91 V and E1/2 = −2.05 V vs. SCE and reversible oxidations at 0.30 V and 0.98 V representing both metal-centred (Co(0)/Co(I)/Co(II)/Co(III)) and porphyrin-centred (Por2−/Por−) processes. [Co(TMFPP)] is a very active catalyst for the electrochemical formation of H2 from DMF/acetic acid, with a Faradaic Efficiency (FE) of 85%, and also catalysed the reduction of CO2 to CO with a FE of 90%. Moreover, the two triarylmethane dyes crystal violet and malachite green were decomposed using H2O2 and [Co(TMFPP)] as catalyst with an efficiency of more than 85% in one batch. [ABSTRACT FROM AUTHOR]

A metalloporphyrin-based fluorescent sensor was developed to determine the acid value in frying oil. The electronic and structural performances of iron tetraphenylporphyrin (FeTPP) were theoretically investigated using time-dependent density functional theory and density functional theory at the B3LYP/LANL2DZ level. The quantified FeTPP-based fluorescent sensor results revealed its excellent performance in discriminating different analytes. In the present work, the acid value of palm olein was determined after every single frying cycle. A total of 10 frying cycles were conducted each day for 10 consecutive days. The FeTPP-based fluorescent sensor was used to quantify the acid value, and the results were compared with the chemical data obtained by conventional titration method. The synchronous fluorescence spectrum for each sample was recorded. Parallel factor analysis was used to decompose the three-dimensional spectrum data. Then, the support vector regression (SVR), partial least squares, and back-propagation artificial neural network methods were applied to build the regression models. After the comparison of the constructed models, the SVR models exhibited the highest correlation coefficients among all models, with 0.9748 and 0.9276 for the training and test sets, respectively. The findings suggested the potential of FeTPP-based fluorescent sensor in rapid monitoring of frying oil quality and perhaps also in other foods with higher oil contents. [ABSTRACT FROM AUTHOR]

Summary: Nanomaterials, such as Ag-nanoparticles (AgNPs), have recently been shown to have a broad range of applications in the chemical industry, medicine, biology, and many areas. In this work, the effect of nanostructure on the biological efficiency of prepared surfactants (R10, R12) based on the benzamide group was reported. FTIR and 1HNMR spectra were collected to confirm the structure of these surfactants. In addition, the nanostructures of the prepared surfactants assembled on Ag-nanoparticles (AgNPs) were investigated using UV and TEM techniques. Moreover, the antimicrobial properties of the prepared surfactants and their associated nanostructures were studied. The results showed that, with the exception of Pseudomonas aeruginosa and Escherichia coli, the antibacterial effectiveness of R12AgNPs against all bacteria was better than R12. In contrast, the antibacterial activity of R10AgNPs against all bacteria was lower than R10. This might be explained by the fact that AgNPs were effective on the manufactured surfactant's CMC (R10), which decreased the amount of surfactant molecules at the cell membrane and decreased the antibacterial activity. The outcomes showed that the cationic surfactants (R10, R12) that were synthesized favored AgNP dispersion and enhanced their activity. [ABSTRACT FROM AUTHOR]

The present study aims at providing a novel technique for assessment of heavy metal contamination in a water body employing information entropy. For this purpose, 8 different locations, each from four tributaries of Brahmaputra river, Beki, Manas, Baralia and Pagladia, were chosen. Water samples from these tributaries were collected and analyzed for iron (Fe), manganese (Mn), lead (Pb), chromium (Cr), zinc (Zn) and copper (Cu) using atomic absorption spectroscopy (AAS). Information (Shannon) entropy was employed to assign weights to each heavy metal which was then coupled with the sub-indices to evaluate the entropy weighted heavy metal contamination index (EHCI). Spatial trend of EHCI values indicated that the water quality of Beki and Baralia river was either "excellent" (EHCI < 50) or "good" (50 < EHCI < 100) quality, except at fifth location of Beki river (SSBeK5) and sixth location of Baralia river (SPBR6). In Manas river water quality at upstream locations (SSMR1 and SSMR2) was "good," and at all other locations, it was either "average" or below average quality (EHCI > 100). Similar trend was observed for Pagladia river. A comparative approach was also carried out among all the heavy metal contamination indices to decide the efficacy of EHCI. The results indicated major conflicts between the indices at various sampling locations, and thus, it was evident from the water quality dataset that EHCI provided a better insight to the classification of water quality with respect to heavy metals. The study would thus be of significant aid in scientific research of stream restoration and water treatment strategies. [ABSTRACT FROM AUTHOR]

Background and Objective: The purpose of the present study was to developing the model of psychological well-being in elderly based on life expectancy through mediation of death anxiety. Materials and Methods: The research method is correlational and structural modeling equation. The statistical population of this study included all the elderly hospitalized in the sanatorium and the elderly at home in Tehran in 2019. The sample included 400 elderly people selected by cluster sampling. In this way, among the elderly care centers and neighborhood house, 10 centers were selected randomly from districts 2, 3 and 5 in Tehran and then 40 elderly people were randomly selected from each center 400 elderly in total and the questionnaires were completed by them and in the presence of the researcher. Research instruments included Ryff Psychological Well-being Questionnaire (1989), Templer Death Anxiety Scale (1970) and Snyder Hope Scale (1991). The research data were analyzed by structural equation modeling and Sobel intermediate test. Results: The results of the conceptual model test indicated that the fit indices of the research model were in good condition (GFI=0.98). Hope had a direct effect on psychological well-being (p<0.05, β=0.47). The hypothesis regarding the indirect effect of hope on the psychological well-being of the elderly through death anxiety was also confirmed (p<0.05, β=0.13). Conclusion: The findings of the study indicated that the conceptual model of the research was appropriate. Therefore, in elderly care centers, it is necessary to pay attention to the antecedents of hope and death anxiety in order to increase the level of psychological well-being and Improving the health of the elderly. [ABSTRACT FROM AUTHOR]

Background & Aim: The experience of approaching death is one of the undeniable facts of aging that can cause fear and anxiety in the elderly. Given that spirituality as a solid base can be a powerful factor in controlling tense situations, this study was conducted to examine the effect of spiritual group therapy on death anxiety in the elderly. Methods & Materials: This quasi-experimental study was conducted on 50 elderly people attending the elderly daily center in Aliabad Katoul (Golestan Province) in 2018. Sampling was done using the convenience method and participants were randomly assigned into either experimental- or control group. The experimental group received spiritual group therapy in 8 sessions within eight weeks. The data were collected using a demographic characteristics questionnaire and the Templer death anxiety scale. Using the SPSS software version 16, data were analyzed through independent t-test, paired t-test and covariance test at a significance level of less than 0.05. Results: The rate of death anxiety before the intervention in the experimental- and control group were 7.36±3.67 and 7.32±1.65 respectively, which did not show a statistically significant difference (P=0.961). After the intervention, the average score of death anxiety for the experimental group was 5.24±3.28 and for the control group was 7.84±1.92 which showed a statistically significant difference (P<0.001). Conclusion: According to the results, it is recommended to provide the necessary conditions to the elderly to participate in spiritual activities, which can be effective in improving the psychological state of the elderly. [ABSTRACT FROM AUTHOR]

According to population aging phenomenon all around the world, taking care of the older population is an important mission of the community health system to maintain their quality of life. Thus, it seems important that the experience of a long life is accompanied by desirable quality of life. Therefore, this study aimed to provide a quality of life model based on activity of daily living and social capital with the mediating role of self-care in the elderly. The population of the study included all the elderly aged over 60 living in Tehran in 2020, among whom 243 were selected through convenience sampling. Data were collected using the World Health Organization Short-Form Quality of Life (World Health Organization), Self-Care (Soderhamn), Social capital (Onyx and Bullen) and Activity of daily living (Mahoney and Barthel) questionnaires. Path analysis was used to analyze the causal model in AMOS-24. 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In this study, a new lignocellulosic bioadsorbent, bilberry (Vaccinium myrtillus L.) leaves powder, was used to remove the methylene blue dye from aqueous solutions. The characterization of the adsorbent was performed by FTIR, SEM and color analysis. The influence of pH, contact time, adsorbent dose, initial dye concentration, temperature and ionic strength on the adsorption process were followed. Equilibrium, kinetic, and thermodynamic studies were conducted in order to understand the adsorption process mechanism. Process optimization was performed using the Taguchi method. Sips isotherm and general order kinetic model characterize the adsorption process. The maximum adsorption capacity, 200.4 (mg g−1), was better compared with other similar bioadsorbents. Thermodynamic parameters indicated that the adsorption process is spontaneous, favorable and endothermic and also that physisorption is involved in the process. The factor with the highest influence on the dye removal process was pH, followed by contact time, temperature, adsorbent dose, ionic strength and initial dye concentration. The obtained results revealed that the bioadsorbent material based on bilberry (Vaccinium myrtillus L.) leaves is highly efficient for cationic dyes removal from aqueous solutions. [ABSTRACT FROM AUTHOR]

Metal phthalocyanines bearing electron-withdrawing fluorine substituents were synthesized a long time ago, but interest in the study of their films has emerged in recent decades. This is due to the fact that, unlike unsubstituted phthalocyanines, films of some fluorinated phthalocyanines exhibit the properties of n-type semiconductors, which makes them promising candidates for application in ambipolar transistors. Apart from this, it was shown that the introduction of fluorine substituents led to an increase in the sensitivity of phthalocyanine films to reducing gases. This review analyzes the state of research over the last fifteen years in the field of applications of fluoro-substituted metal phthalocyanines as active layers of gas sensors, with a primary focus on chemiresistive ones. The active layers on the basis of phthalocyanines with fluorine and fluorine-containing substituents of optical and quartz crystal microbalance sensors are also considered. Attention is paid to the analysis of the effect of molecular structure (central metal, number and type of fluorine substituent etc.) on sensor properties of fluorinated phthalocyanine films. [ABSTRACT FROM AUTHOR]

Substituent effect on optical gas sensing performance in porphyrin-based optical waveguide detection system was studied by molecular dynamics simulation (MDS), absorption/emission spectrum analysis, and optical waveguide (OWG) detection. The affinities of porphyrin with seven types of substituents (–H, –OH, –tBu, –COOH, –NH2, –OCH3, –SO3−) on para position of meso-phenyl porphyrin toward gas molecules in adsorption process were studied in different size of boxes with the same pressure and concentration. Analyte gases (CO2, H2S, HCl, NO2) were exposed to porphyrin film in absorption spectrophotometer, and in OWG with evanescent field excited by a guiding laser light with 670 nm wavelength. The extent of interaction between host molecule and the guest analytes was analyzed by the number of gas molecules in vicinity of 0.3 nm around substituents of porphyrin molecules. Optical waveguide results reveal that sulfonate porphyrin is mostly responsive to hydrochloride, hydrosulfide gas and nitrogen dioxide gases with strong response intensity. Molecular dynamics and spectral analysis provide objective information about the molecular state and sensing properties. Molecular rearrangements induced by gas exposure was studied by spectral analysis and surface morphology before and after gas exposure taking hydrosulfide gas as an example. Film-gas interaction mechanism was discussed in terms of each gas and substituent group characters. [ABSTRACT FROM AUTHOR]

This study presents a new, revolutionary, and easy method for evaluating the separation process through a membrane that is based on changing the color of the membrane surface during the separation process. For this purpose, a cellulose acetate membrane surface was modified in several steps: initially with amino propyl triethoxysilane, followed by glutaraldehyde reaction and calmagite immobilization. Calmagite was chosen for its dual role as a molecule that will complex and retain Gd(III) and also as an indicator for Gd(III). At the contact with the membrane surface, calmagite will actively complex and retain Gd(III), and it will change the color of the membrane surface during the complexation process, showing that the separation occurred. The synthesized materials were characterized by Fourier transform infrared spectroscopy (FT-IR), thermal analysis (TGA-DTA), X-ray photoelectron spectroscopy (XPS), and Raman spectroscopy, demonstrating the synthesis of membrane material with self-indicating properties. In addition, in the separation of the Gd(III) process, in which a solution of gadolinium nitrate was used as a source and as a moderator in nuclear reactors, the membrane changed its color from blue to pink. The membrane performances were tested by Induced Coupled Plasma–Mass Spectrometry (ICP-MS) analyses showing a separation process efficiency of 86% relative to the initial feed solution. [ABSTRACT FROM AUTHOR]