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This study presents a thorough investigation of the novel application of graphene oxide (GO) modified with melamine formaldehyde to fabricate granular three-dimensional GO (3D-GO), followed by the introduction of UiO-66 doping (3D-GO/U) for high uranium (U) adsorption. The U(VI) adsorption isotherms revealed that 3D-GO/U-10 with 10 % UiO-66 incorporation exhibited an impressive adsorption capacity of 375.5 mg g-1 and remained high U(VI) sorption performance in wide pH range. The introduction of UiO-66 to 3D-GO (3D-GO/U-10) led to the deagglomeration of the UiO-66 particles. The in situ surface-enhanced-Raman-spectroscopy-analysis and density-functional-theory simulations showed the symmetric metal center site Zr-O2 on UiO-66 was discovered to exhibit the highest adsorption energy (-3.21 eV) for U(VI) species due to the electrons transfer from the oxygen atom to U(VI) drives the covalent bonding between the symmetric metal center sites Zr-O2 and U(VI) on 3D-GO/U-10. The 3D-GO/U-10 was regenerated using a 0.1 M Na2CO3/0.01 M H2O2 solution and achieved up to 89.7 % U(VI) removal in the 5th cycle. The continuous flow column experiments results revealed 3D-GO/U-10 can regenerate and maintain a U(VI) removal capacity of â¼76 % for up to 4 cycles column experiments. Therefore, 3D-GO/U-10 exhibits great potential for removing U(VI) from water bodies.
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Recent advancements in membrane technologies and disinfection methods have enhanced drinking water quality significantly. However, microorganisms, including free-living amoebae (FLA), persist and pose potential threats to humans. FLA are linked to severe neuro-ophthalmic infections and serve as hosts of pathogenic bacteria. This study examined FLA presence in chlorinated and ultrafiltration drinking water and evaluated chlorine's disinfectant. Of 115 water samples, 21 tested positive for Acanthamoeba sp., Allovahlkampfia sp., and Vermamoeba vermiformis, originating from chlorinated sources. FLA trophozoites withstand temperatures up to 37 °C, while the cysts tolerate heat shocks of 60-70 °C. Trophozoites are susceptible to 5 mg L-1 chlorine, but cysts remain viable at concentrations up to 10 mg L-1. FLAs' survival in chlorinated waters is attributed to high cyst tolerance and lower residual chlorine concentrations. These findings highlight the need for ultrafiltration or enhanced chlorination protocols to ensure safer drinking water.
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Amoeba , Agua Potable , Halogenación , Amoeba/efectos de los fármacos , Agua Potable/química , Cloro/farmacología , Desinfección/métodos , Desinfectantes , Purificación del Agua/métodosRESUMEN
Mosquitoes are important vectors for the transmission of several infectious diseases that lead to huge morbidity and mortality. The exhaustive use of synthetic insecticides has led to widespread resistance and environmental pollution. Using essential oils and nano-emulsions as novel insecticides is a promising alternative approach for controlling vector borne diseases. In the current study, Lantana camara EO and NE were evaluated for their larvicidal and pupicidal activities against Anopheles culicifacies. The inhibitory effect of EO and NE on AChE, NSE (α/ß), and GST was also evaluated and compared. GC-MS analysis of oil displayed 61 major peaks. The stable nano-emulsion with an observed hydrodynamic diameter of 147.62 nm was formed using the o/w method. The nano-emulsion exhibited good larvicidal (LC50 50.35 ppm and LC90 222.84 ppm) and pupicidal (LC50 54.82 ppm and LC90 174.58 ppm) activities. Biochemical evaluations revealed that LCEO and LCNE inhibited AChE, NSE (α/ß), and GST, displaying LCNE to be a potent binder to AChE and NSE enzyme, whereas LCEO showed higher binding potency towards GST. The nano-emulsion provides us with novel opportunities to target different mosquito enzymes with improved insecticidal efficacy. Due to its natural origin, it can be further developed as a safer and more potent larvicide/insecticide capable of combating emerging insecticide resistance.
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Anopheles , Emulsiones , Insecticidas , Lantana , Larva , Aceites Volátiles , Anopheles/efectos de los fármacos , Aceites Volátiles/farmacología , Aceites Volátiles/química , Animales , Lantana/química , Insecticidas/farmacología , Insecticidas/química , Larva/efectos de los fármacos , Cinética , Acetilcolinesterasa/metabolismo , Glutatión Transferasa/metabolismo , Glutatión Transferasa/antagonistas & inhibidores , Mosquitos Vectores/efectos de los fármacos , Inhibidores Enzimáticos/farmacología , Inhibidores Enzimáticos/química , Control de Mosquitos/métodosRESUMEN
This study reported the development and characterisation of bio-nanocomposite films based on the polyvinyl alcohol (PVA) reinforced with cellulose nanofibres (CNFs) of different concentrations (1-5 wt%), isolated from pineapple leaf fibre via high-shear homogenisation and ultrasonication. The PVA film and bio-nanocomposite were prepared using a solution casting method. The PVA film and bio-nanocomposite samples were characterized using FE-SEM, XRD, FTIR spectroscopy, UV-vis spectroscopy in transmission mode, TGA, and DTG. Mechanical properties (tensile strength and strain at break) were also determined and statistical analysis was applied as well. With the incorporation of CNFs, the mechanical properties of the bio-nanocomposite were found to be significant (p ≤ 0.05), particularly the 4 wt% CNF bio-nanocomposite showed optimum properties. The tensile strength, CI, and thermal stability of this film were 28.9 MPa (increased by 28.2%), 78.7% (increased by 5.2%), and 341.8 °C (increased by 1.6%), respectively, compared to the pure PVA film. These characteristics imply that the bio-nanocomposite film has prospects as a promising material for biopackaging.
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This study investigated the coexistence and contamination of manganese (Mn(II)) and arsenite (As(III)) in groundwater and examined their oxidation behavior under different equilibrating parameters, including varying pH, bicarbonate (HCO3-) concentrations, and sodium hypochlorite (NaClO) oxidant concentrations. Results showed that if the molar ratio of NaClO: As(III) was >1, the oxidation of As(III) could be achieved within a minute with an extremely high oxidation rate of 99.7 %. In the binary system, the removal of As(III) prevailed over Mn(II). The As(III) oxidation efficiency increased from 59.8 ± 0.6 % to 70.8 ± 1.9 % when pH rose from 5.7 to 8.0. The oxidation reaction between As(III) and NaClO releases H+ ions, decreasing the pH from 6.77 to 6.19 and reducing the removal efficiency of Mn(II). The presence of HCO3- reduced the oxidation rate of Mn(II) from 63.2 % to 13.9 % within four hours. Instead, the final oxidation rate of Mn(II) increased from 68.1 % to 87.7 %. This increase can be attributed to HCO3- ions competing with the free Mn(II) for the adsorption sites on the sediments, inhibiting the formation of H+. Moreover, kinetic studies revealed that the oxidation reaction between Mn(II) and NaClO followed first-order kinetics based on their R2 values. The significant factors affecting the Mn(II) oxidation efficiency were the initial concentration of NaClO and pH. Applying an artificial neural network (ANN) model for data analysis proved to be an effective tool for predicting Mn(II) oxidation rates under different experimental conditions. The actual Mn(II) oxidation data and the predicted values obtained from the ANN model showed significant consistency. The training and validation data sets yielded R2 values of 0.995 and 0.992, respectively. Moreover, the ANN model highlights the importance of pH and NaClO concentrations in influencing the oxidation rate of Mn(II).
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Arsenitos , Manganeso , Redes Neurales de la Computación , Oxidación-Reducción , Manganeso/química , Arsenitos/química , Cinética , Halogenación , Contaminantes Químicos del Agua/química , Concentración de Iones de Hidrógeno , Purificación del Agua , Bicarbonatos/químicaRESUMEN
The reduction of carbon dioxide (CO2) and nitrogen (N2) to value-added products is a substantial area of research in the fields of sustainable chemistry and renewable energy that aims at reducing greenhouse gas emissions and the production of alternative fuels and chemicals. The current work deals with the synthesis of pyrochlore-type europium stannate (Eu2Sn2O7: EuSnO), tungsten disulfide (WS2:WS), and novel EuSnO/WS heterostructure by a simple and facile co-precipitation-aided hydrothermal method. Using different methods, the morphological and structural analyses of the prepared samples were characterized. It was confirmed that a heterostructure was formed between the cubic EuSnO and the layered WS. Synthesized materials were used for photocatalytic CO2 and N2 reduction under UV and visible light. The amount of CO and CH4 evolved due to CO2 reduction is high in EuSnO/WS (CO = 104, CH4 = 64 µmol h-1 g-1) compared to pure EuSnO (CO = 36, CH4 = 70 µmol h-1 g-1) and WS (CO = 22, CH4 = 1.8 µmol h-1 g-1) under visible light. The same trend was observed even in the N2 fixation reaction under visible light, and the amount of NH4+ produced was found to be 13, 26, and 41 µmol h-1 g-1 in the presence of WS, EuSnO and EuSnO/WS, respectively. Enhanced light-driven activity towards CO2 and N2 reduction reactions in EuSnO/WS is due to the efficient charge separation through the formation of type-II heterostructure, which is in part associated with photocurrent response, photoluminescence, and electrochemical impedence spectroscopic (EIS) results. The EuSnO/WS heterostructure's exceptional stability and reusability may pique the attention of pyrochlore-based composite materials in photocatalytic energy and environmental applications.
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Dióxido de Carbono , Fijación del Nitrógeno , Dióxido de Carbono/química , Luz , Europio/química , Disulfuros/química , Oxidación-Reducción , Tungsteno/química , Catálisis , Compuestos de Tungsteno/químicaRESUMEN
Assessment of the performance of linear and nonlinear regression-based methods for estimating in situ catalytic CO2 transformations employing TiO2/Cu coupled with hydrogen exfoliation graphene (HEG) has been investigated. The yield of methanol was thoroughly optimized and predicted using response surface methodology (RSM) and artificial neural network (ANN) model after rigorous experimentation and comparison. Amongst the different types of HEG loading from 10 to 40 wt%, the 30 wt% in the HEG-TiO2/Cu assisted photosynthetic catalyst was found to be successful in providing the highest conversion efficiency of methanol from CO2. The most influencing parameters, HEG dosing and inflow rate of CO2, were found to affect the conversion rate in the acidic reaction regime (at pH of 3). According to RSM and ANN, the optimum methanol yields were 36.3 mg g-1 of catalyst and 37.3 mg g-1 of catalyst, respectively. Through the comparison of performances using the least squared error analysis, the nonlinear regression-based ANN showed a better determination coefficient (overall R2 > 0.985) than the linear regression-based RSM model (overall R2 â¼ 0.97). Even though both models performed well, ANN, consisting of 9 neurons in the input and 1 hidden layer, could predict optimum results closer to RSM in terms of agreement with the experimental outcome.
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The textile industry contributes substantially to water pollution. To investigate bioremediation of dye-containing wastewater, the decolorization and biotransformation of three textile azo dyes, Red HE8B, Reactive Green 27, and Acid Blue 29, were considered using an integrated remediation approach involving the microalga Chlamydomonas mexicana and activated sludge (ACS). At a 5 mg L-1 dye concentration, using C. mexicana and ACS alone, decolorization percentages of 39%-64% and 52%-54%, respectively, were obtained. In comparison, decolorization percentages of 75%-79% were obtained using a consortium of C. mexicana and ACS. The same trend was observed for the decolorization of dyes at higher concentrations, but the potential for decolorization was low. The toxic azo dyes adversely affect the growth of microalgae and at high concentration 50 mg L-1 the growth rate inhibited to 50-60% as compared to the control. The natural textile wastewater was also treated with the same pattern and got promising results of decolorization (90%). Moreover, the removal of BOD (82%), COD (72%), TN (64%), and TP (63%) was observed with the consortium. The HPLC and GC-MS confirm dye biotransformation, revealing the emergence of new peaks and the generation of multiple metabolites with more superficial structures, such as N-hydroxy-aniline, naphthalene-1-ol, and sodium hydroxy naphthalene. This analysis demonstrates the potential of the C. mexicana and ACS consortium for efficient, eco-friendly bioremediation of textile azo dyes.
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Biodegradación Ambiental , Colorantes , Microalgas , Aguas del Alcantarillado , Industria Textil , Eliminación de Residuos Líquidos , Contaminantes Químicos del Agua , Colorantes/metabolismo , Colorantes/química , Aguas del Alcantarillado/química , Contaminantes Químicos del Agua/metabolismo , Microalgas/metabolismo , Eliminación de Residuos Líquidos/métodos , Aguas Residuales/química , Textiles , Compuestos Azo/metabolismoRESUMEN
The present study deals with two-phase non-Newtonian pseudoplastic crude oil and water flow inside horizontal pipes simulated by ANSYS. The study helps predict velocity and velocity profiles, as well as pressure drop during two-phase crude-oil-water flow, without complex calculations. Computational fluid dynamics (CFD) analysis will be very important in reducing the experimental cost and the effort of data acquisition. Three independent horizontal stainless steel pipes (SS-304) with inner diameters of 1 in., 1.5 in., and 2 in. were used to circulate crude oil with 5, 10, and 15% v/v water for simulation purposes. The entire length of the pipes, along with their surfaces, were insulated to reduce heat loss. A grid size of 221,365 was selected as the optimal grid. Two-phase flow phenomena, pressure drop calculations, shear stress on the walls, along with the rate of shear strain, and phase analysis were studied. Moreover, velocity changes from the wall to the center, causing a velocity gradient and shear strain rate, but at the center, no velocity variation (velocity gradient) was observed between the layers of the fluid. The precision of the simulation was investigated using three error parameters, such as mean square error, Nash-Sutcliffe efficiency, and RMSE-standard deviation of observation ratio. From the simulation, it was found that CFD analysis holds good agreement with experimental results. The uncertainty analysis demonstrated that our CFD model is helpful in predicting the rheological parameters very accurately. The study aids in identifying and predicting fluid flow phenomena inside horizontal straight pipes in a very effective way.
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The design and development of novel antimicrobial agents are highly desired to combat the emergence of medication resistance against microorganisms that cause infections. A series of new pyrimidine-linked thiazolidinedione derivatives (5a-j) were synthesized, characterized, and their antimicrobial properties assessed in the current investigation. Here, novel pyrimidine-linked thiazolidinedione compounds were designed using the molecular hybridization approach. Elemental and spectral techniques were used to determine the structures of the synthesized hybrids. The majority of compounds showed encouraging antibacterial properties. Among the active compounds, 5g, 5i, and 5j showed 1.85, 1.15, and 1.38 times the activity of streptomycin against S. aureus, respectively, with MIC values of 6.4, 10.3, and 8.6 µM. With MIC values of 10.8, 21.9, and 15.4 µM, respectively, the compounds 5g, 5i, and 5j showed 2.14, 1.05, and 1.50 times the activity of linezolid against the methicillin-resistant S. aureus (MRSA) strain. Furthermore, when compared to the reference medications, compounds 5g, 5i, and 5j demonstrated broad-range antimicrobial efficacy against all tested strains of bacteria and fungus. Out of all the compounds that were investigated, compounds 5g, 5i, and 5j showed noteworthy anti-tubercular activity. 5g is the most effective, 1.59 times more effective than reference drug isoniazid. To anticipate the binding manner, the synthesized potent compounds were subjected to molecular docking into the active binding site of MRSA and the mycobacterial membrane protein large 3 (MmpL3) protein. The compounds 5g, 5i, and 5j may eventually serve as lead compounds in the search for antimicrobial and anti-TB therapeutic agents.
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Antiinfecciosos , Staphylococcus aureus Resistente a Meticilina , Tiazolidinedionas , Antituberculosos , Simulación del Acoplamiento Molecular , Staphylococcus aureus/metabolismo , Relación Estructura-Actividad , Antiinfecciosos/farmacología , Antibacterianos/química , Tiazolidinedionas/farmacología , Pirimidinas/farmacología , Pruebas de Sensibilidad Microbiana , Estructura MolecularRESUMEN
[This corrects the article DOI: 10.1021/acsomega.3c07950.].
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The Green Revolution of the mid-20th century transformed agriculture worldwide and has resulted in environmental challenges. A new approach, the Second Green Revolution, seeks to enhance agricultural productivity while minimizing negative environmental impacts. Plant microbiomes play critical roles in plant growth and stress responses, and understanding plant-microbiome interactions is essential for developing sustainable agricultural practices that meet food security and safety challenges, which are among the United Nations Sustainable Development Goals. This review provides a comprehensive exploration of key deterministic processes crucial for developing microbiome management strategies, including the host effect, the facilitator effect, and microbe-microbe interactions. A hierarchical framework for plant microbiome modulation is proposed to bridge the gap between basic research and agricultural applications. This framework emphasizes three levels of modulation: single-strain, synthetic community, and in situ microbiome modulation. Overall, rational management of plant microbiomes has wide-ranging applications in agriculture and can potentially be a core technology for the Second Green Revolution.
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Microbiota , Plantas , Agricultura/métodos , Desarrollo de la PlantaRESUMEN
The emergence of multidrug-resistant (MDR) bacteria has spurred the exploration of therapeutic nanomaterials such as ZnO nanoparticles. However, the inherent nonspecific toxicity of ZnO has posed a significant obstacle to their clinical utilization. In this research, we propose a novel approach to improve the selectivity of the toxicity of ZnO nanoparticles by impregnating them onto a less toxic clay mineral, Bentonite, resulting in ZB nanocomposites (ZB NCs). We hypothesize that these ZB NCs not only reduce toxicity toward both normal and carcinogenic cell lines but also retain the antibacterial properties of pure ZnO nanoparticles. To test this hypothesis, we synthesized ZB NCs by using a precipitation technique and confirmed their structural characteristics through X-ray diffraction and Raman spectroscopy. Electron microscopy revealed composite particles in the size range of 20-50 nm. The BET surface area of ZB NCs, within a relative pressure (P/P0) range of 0.407-0.985, was estimated to be 31.182 m2/g. Notably, 50 mg/mL ZB NCs demonstrated biocompatibility with HCT 116 and HEK 293 cell lines, supported by flow cytometry and fluorescence microscopy analysis. In vitro experiments further confirmed a remarkable five-log reduction in the population of MDR Escherichia coli in the presence of 50 mg/mL of ZB NCs. Antibacterial activity of the nanocomposites was also validated in the HEK293 and HCT 116 cell lines. These findings substantiate our hypothesis and underscore the effectiveness of ZB NCs against MDR E. coli while minimizing nonspecific toxicity toward healthy cells.
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Probiotics hold promise as a potential therapy for colorectal cancer (CRC), but encounter obstacles related to tumor specificity, drug penetration, and dosage adjustability. In this study, genetic circuits based on the E. coli Nissle 1917 (EcN) chassis were developed to sense indicators of tumor microenvironment and control the expression of therapeutic payloads. Integration of XOR gate amplify gene switch into EcN biosensors resulted in a 1.8-2.3-fold increase in signal output, as confirmed by mathematical model fitting. Co-culturing programmable EcNs with CRC cells demonstrated a significant reduction in cellular viability ranging from 30% to 50%. This approach was further validated in a mouse subcutaneous tumor model, revealing 47%-52% inhibition of tumor growth upon administration of therapeutic strains. Additionally, in a mouse tumorigenesis model induced by AOM and DSS, the use of synthetic bacterial consortium (SynCon) equipped with multiple sensing modules led to approximately 1.2-fold increased colon length and 2.4-fold decreased polyp count. Gut microbiota analysis suggested that SynCon maintained the abundance of butyrate-producing bacteria Lactobacillaceae NK4A136, whereas reducing the level of gut inflammation-related bacteria Bacteroides. Taken together, engineered EcNs confer the advantage of specific recognition of CRC, while SynCon serves to augment the synergistic effect of this approach.
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Colitis , Neoplasias Colorrectales , Microbioma Gastrointestinal , Animales , Ratones , Neoplasias Colorrectales/tratamiento farmacológico , Neoplasias Colorrectales/microbiología , Colitis/inducido químicamente , Escherichia coli/genética , Inflamación , Microambiente TumoralRESUMEN
The use of lignocellulosic waste as an energy source for substituting fossil fuels has attracted lots of attention, and pyrolysis has been established as an effective technology for this purpose. However, the utilization of bio-oil derived from non-catalytic pyrolysis faces certain constraints, making it impractical for direct application in advanced sectors. This study has focused on overcoming these challenges by employing fractional condensation of pyrolytic vapors at distinct temperatures. The potential of five types of sawdust for producing high-quality bio-oil through pyrolysis conducted with a bench-scale bubbling fluidized bed reactor was investigated for the first time. The highest yield of bio-oil (61.94 wt%) was produced using sample 3 (damaged timber). Remarkably, phenolic compounds were majorly gathered in the 1st and 2nd condensers at temperatures of 200 °C and 150 °C, respectively, attributing to their higher boiling points. Whereas, carboxylic acid, ketones, and furans were mainly collected in the 3rd (-5 °C) and 4th (-20 °C) condensers, having high water content in the range of 35.33%-65.09%. The separation of acidic nature compounds such as acetic acid in the 3rd and 4th was evidenced by its low pH in the range of 4-5, while the pH of liquid collected in the 1st and 2nd condensers exhibited higher pH (6-7). The well-separated bio-oil derived from biomass pyrolysis facilitates its wide usage in various applications, proposing a unique approach toward carbon neutrality. In particular, achieving efficient separation of phenolic compounds in bio-oil is important, as these compounds can undergo further upgrading to generate hydrocarbons and diesel fuel.
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Calor , Polifenoles , Pirólisis , Biocombustibles , Aceites de Plantas , Fenoles/análisis , BiomasaRESUMEN
This study presents the catalytic pyrolysis of microalgae, Chlorella vulgaris (C. vulgaris), using pure CH4 and H2-rich gas evolved from CH4 decomposition on three different HZSM-5 catalysts loaded with Zn, Ga, and Pt, aimed specifically at producing high-value mono-aromatics such as benzene, toluene, ethylbenzene, and xylene (BTEX). In comparison with that for the typical inert N2 environment, a pure CH4 environment increased the bio-oil yield from 32.4 wt% to 37.4 wt% probably due to hydrogen and methyl radical insertion in the bio-oil components. Furthermore, the addition of bimetals further increased bio-oil yield. For example, ZnPtHZ led to a bio-oil yield of 47.7 wt% in pure CH4. ZnGaHZ resulted in the maximum BTEX yield (6.68 wt%), which could be explained by CH4 activation, co-aromatization, and hydrodeoxygenation. The BTEX yield could be further increased to 7.62 wt% when pyrolysis was conducted in H2-rich gas evolved from CH4 decomposition over ZnGaHZ, as rates of aromatization and hydrodeoxygenation were relatively high under this condition. This study experimentally validated that the combination of ZnGaHZ and CH4 decomposition synergistically increases BTEX production using C. vulgaris.
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Chlorella vulgaris , Microalgas , Aceites de Plantas , Polifenoles , Calor , Pirólisis , Tolueno , Benceno , Xilenos , Catálisis , Zinc , BiocombustiblesRESUMEN
This study addresses the urgent need for practical solutions to industrial water contamination. Utilizing Algerian Bentonite as an adsorbent due to its regional prevalence, we focused on the efficiency of the Bentonite/Sodium dodecylbenzene sulfonate (SDBS) matrix in Methylene Blue (MB) removal. The zero-charge point and IR spectroscopy characterized the adsorbent. Acidic pH facilitated SDBS adsorption on Bentonite, achieving equilibrium in 30 min with a pseudo-second-order model. The UPAC and Freundlich model indicated a qmax of 25.97 mg/g. SDBS adsorption was exothermic at elevated temperatures. The loaded Bentonite exhibited excellent MB adsorption (pH 3-9) with PSOM kinetics. Maximum adsorption capacity using IUPAC and GILES-recommended isotherms was qmax = 23.54 mg/g. The loaded Bentonite's specific surface area was 70.01 m2/g, and the Sips model correlated well with experimental data (R2 = 0.98). This study highlights adsorption, mainly Bentonite/SDBS matrices, as a promising approach for remediating polluted areas by efficiently capturing and removing surfactants and dyes, contributing valuable insights to address industrial water contamination challenges.
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Bentonita , Contaminantes Químicos del Agua , Bentonita/química , Azul de Metileno , Aguas Residuales , Contaminantes Químicos del Agua/análisis , Concentración de Iones de Hidrógeno , Adsorción , Cinética , AguaRESUMEN
Chemical recycling of plastics is a promising approach for effectively depolymerizing plastic waste into its constituent monomers, thereby contributing to the realization of a sustainable circular economy. Glycolysis, which converts polyethylene terephthalate (PET) into the monomer bis(2-hydroxyethyl) terephthalate (BHET), has emerged as a cost-effective and commercially viable chemical recycling process. However, glycolysis requires long reaction times and high energy consumption, limiting its industrialization. In this study, we develop an energy-efficient microwave-assisted deep eutectic solvent-catalyzed glycolysis method to degrade PET effectively and rapidly, resulting in a high BHET yield. This combined approach enables the quantitative degradation of PET within 9 min, achieving a high BHET yield of approximately 99% under optimal reaction conditions. Furthermore, the proposed approach has a low specific energy consumption (45 kJ/g) and minimizes waste generation. The thermal behavior of PET and its degradation mechanism are systematically investigated using scanning electron microscopy and density functional theory-based calculations. The results obtained suggest that the proposed straightforward, swift, and energy-efficient strategy has the potential to offer a sustainable solution to plastic waste management challenges and expedite the industrialization of chemical recycling.
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Disolventes Eutécticos Profundos , Tereftalatos Polietilenos , Solventes , Microondas , Glucólisis , Catálisis , PlásticosRESUMEN
The promising quinazolinone-based pyridine derivatives (4a-j) were synthesized and subsequently tested for their antimycobacterial activities against the various drug-sensitive and drug-resistant Mycobacterium tuberculosis (Mtb) strains to combat infectious diseases and address growing concerns about the devastating effects of tuberculosis (TB). Utilizing 1H NMR, 13C NMR, and mass spectra, the structural and molecular confirmation of the synthesized compounds were deciphered. With minimum inhibitory concentration (MIC) values ranging from 0.31 to 19.13 µM, the results showed that compounds 4e and 4f showed promise anti-TB action against both drug-sensitive and drug-resistant TB strains. To study the cytotoxicity of synthesized molecules, normal Vero and mouse macrophage (RAW264.7) cell lines were utilized. Remarkably, it was revealed that at the highest concentration tested, none of the newly synthesized molecules were toxic to the Vero cell line. The binding patterns of the potent compounds 4b, 4e and 4f in the active site of the mycobacterial membrane protein Large 3 (MmpL3) protein are also revealed by molecular docking studies, which has contributed to the development of a structural rationale for Mtb inhibition. The physicochemical characteristics of the compounds were then predicted using theoretical calculations. Overall, the molecular docking results, physiochemical properties, and observed antimycobacterial activity all point to compound 4e with trifluoromethyl and compound 4f with nitro moiety as potential quinazolinone linked pyridine-based MmpL3 inhibitors.Communicated by Ramaswamy H. Sarma.
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Mycobacterium tuberculosis , Tuberculosis Resistente a Múltiples Medicamentos , Tuberculosis , Animales , Ratones , Simulación del Acoplamiento Molecular , Antituberculosos/farmacología , Antituberculosos/química , Tuberculosis/microbiología , Piridinas/farmacología , Pruebas de Sensibilidad Microbiana , Relación Estructura-ActividadRESUMEN
Wax is a detrimental byproduct of plastic waste pyrolysis causing challenges upon its release into the environment owing to persistence and potential toxicity. In this study, the valorization of wax materials through conversion into BTEX (i.e., benzene, toluene, ethylbenzene, and xylene) was achieved via catalytic pyrolysis using zeolite-based catalysts. The potential of two types of waxes, spent wax (SW), derived from the pyrolysis of plastic waste, and commercial paraffin wax (PW), for BTEX generation, was investigated. Using HZSM-5, higher yields of oil (54.9 wt%) and BTEX (18.2 wt%) were produced from the pyrolysis of SW compared to PW (32.3 and 14.1 wt%, respectively). This is due to the improved accessibility of lighter hydrocarbons in SW to Brønsted and Lewis acid sites in HZSM-5 micropores, promoting cracking, isomerization, cyclization, Diels-Alder, and dehydrogenation reactions. Further, the use of HZSM-5 resulted in significantly larger yields of oil and BTEX from SW pyrolysis compared to Hbeta and HY. This phenomenon is ascribed to the well-balanced distribution of Brønsted and Lewis acid sites and the identical geometric structure of HZSM-5 micropores and BTEX molecules. The addition of Ga to HZSM-5 further led to 2.24% and 28.30% enhancements in oil and BTEX yields, respectively, by adjusting the acidity of the catalyst through the introduction of new Lewis acid sites. The regeneration of the Ga/HZSM-5 catalyst by removing deposited coke on the spent catalyst under air partially recovered catalytic activity. This study not only offers an efficient transformation of undesirable wax into valuable fuels but also provides an environmentally promising solution, mitigating pollution, contributing to carbon capture, and promoting a healthier and more sustainable environment. It also suggests future research directions, including catalyst optimization and deactivation management, feedstock variability exploration, and techno-economic analyses for sustainable wax conversion into BTEX via catalytic pyrolysis.