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The objective of this study is to determine the larvicidal activity of essential oils (EOs) extracted from three plants of the genus Artemisia against the mosquito Culex pipiens (C. pipiens) using in vitro and in silico studies. A total number of 20 third- and fourth-instar larvae were exposed to various concentrations of the three plants. The LC50 and LC90 values of the tested Artemisia EOs were determined using Probit analysis. In addition, the sensitivity of C. pipiens to these EOs was determined and compared against a standard insecticide, temephos, under laboratory conditions. Furthermore, in silico assessments were carried out on the major constituents to help understand and explain the acquired in vivo results. Gas chromatography analysis identified the major compounds as d-limonene and β-pinene for Artemisia flahaultii, camphor and borneol for Artemisia. aragonensis, and artemisia ketone and caryophyllene for Artemisia annua. A. flahaultii oil showed the highest efficacy against C. pipiens larvae, followed by A. annua oil with average larvicidal activity. In contrast, A. aragonensis EO, composed of a high percentage of monoterpenes, was the least active. Docking simulation indicated that several studied ligands had promising binding scores within the receptor’s binding site compared to the reference insecticide temephos. The obtained results allow us to conclude that A. flahaultii, a species endemic to Morocco, is an excellent means of controlling C. pipiens.

The valorization of biogenic waste by hydrothermal carbonization is widely discussed in research. However, to our knowledge, no study has combined almond shells and olive pomace to synthesize a solid carbon material. The purpose of this study is to enhance the hydrochar process from AS and OP using RSM methodology and machine learning models: ANN, SVM and XG-Boost. Subsequently, a study was carried out on the removal of organic pollutants by the synthesized material. The optimum Co-HTC operating conditions obtained at 180 C, 90 min with acid catalyst corresponding to 71.51 % and 87.13 % for mass yield and carbon retention rate respectively according to RSM-CCD. The comparison between RSM-CCD and ML in terms of prediction concludes that RSM remains more efficient in terms of planning and optimization. However, ANN is more suitable for modeling and predicting mass yields and carbon retention rates. Hydrochar’s physicochemical properties were evaluated by the use of spectroscopic methods like FTIR, SEM, XRD, and CHNO. To conclude, we studied the performance of HCop in methylene blue adsorption, varying the following parameters: pH, contact time, initial dye concentration, adsorbent dose and temperature. In addition, kinetic and isothermal models were studied to describe the dominant mechanisms in the MB adsorption process. The MB maximal adsorption using HCop obtained at pH 9, with an initial dye concentration of 100 mg. L−1, 40-min contact time, 0.1 g/L adsorbent dose, and a temperature between 25 and 30 °C. In conclusion, these results provide important information on the use of Co-HTC to convert biogenic wastes into high-performance carbon materials for the appropriate removal of organic pollutants. More studies are needed to use the material in other fields of application.

The development of a bimetallic Fenton-type catalyst with desirable activity and reusability remains a major challenge for the practical degradation of organic pollutants. Herein, we focused on modifying almond shell hydrochar with a Fe/Cu bimetal (Fe/Cu-HC) to develop a catalyst capable of activating H2O2 for degrading MO. The bimetallic Fe/Cu-HC catalyst was synthesized through hydrothermal carbonization and pyrolysis and characterized using SEM, FTIR, BET analysis, and XRD to confirm the presence and uniform dispersion of Cu and Fe co-doped species on HC. The impact of various factors, such as the solution pH (X1), organic pollutant concentration (X2) and catalyst mass (X3), on dye degradation efficiency via heterogeneous Fenton oxidation, was examined using the BBD model coupled with Surface response methodology (RSM). The Fe/Cu-HC catalyst showed superior performance in degrading MO dye compared to single-metal catalysts (Cu-HC, Fe-HC), due to the synergistic interaction between Fe and Cu species. To demonstrate the heterogeneous Fenton catalytic performance of the synthesized FeCu/HC, the results showed that 98.97 % of methyl orange was eliminated under optimal conditions: 100 mg. l-1 of methyl orange, a duration of 1 h, a catalyst mass of 1.65 g. l-1, a pH of 6, and a concentration of 4 mM H2O2. In addition, the Fe/Cu-HC catalyst showed excellent stability over multiple cycles, with minimal metal leaching. These results indicate that Fe/Cu-HC is a promising catalyst for the degradation of methyl orange and pave the way for the development of other cost-effective and efficient bimetallic catalysts for environmental remediation.

Abstract In this work, we sought to validate the use of Euphorbia calyptrata (L.), a Saharan and Mediterranean medicinal plant, in traditional pharmacopeia. GC‐MS/MS identified volatile compounds of potential therapeutic interest. Antioxidant tests were performed using β‐carotene decolorization, DPPH radical scavenging, FRAP, beta‐carotene bleaching, and TAC. The antimicrobial activity was evaluated on solid and liquid media for bacterial and fungal strains to determine the zone of inhibition and the minimum growth concentration (MIC) of the microbes tested. The hemolytic activity of these essential oils was assessed on red blood cells isolated from rat blood. Phytochemical characterization of the terpenic compounds by GC‐MS/MS revealed 31 compounds, with alpha‐Pinene dominating (35.96 %). The antioxidant power of the essential oils tested revealed an IC50 of 67.28 μg/mL (DPPH), EC50 of 80.25.08±1.42 μg/mL (FRAP), 94.83±2.11 μg/mL (beta carotene) and 985.07±0.70 μg/mL (TAC). Evaluating solid media‘s antibacterial and antifungal properties revealed a zone of inhibition between 10.28 mm and 25.80 mm and 31.48 and 34.21 mm, respectively. On liquid media, the MIC ranged from 10.27 μg/mL to 24.91 μg/mL for bacterial strains and from 9.32 μg/mL to 19.08 μg/mL for fungal strains. In molecular docking analysis, the compounds naphthalene, shogunal, and manol oxide showed the greatest activity against NADPH oxidase, with Glide G scores of −5.294, −5.218 and −5.161 kcal/mol, respectively. For antibacterial activity against E. coli beta‐ketoacyl‐[acyl carrier protein] synthase, the most potent molecules were cis‐Calamenene, alpha.‐Muurolene and Terpineol, with Glide G‐scores of −6.804, −6.424 and −6.313 kcal/mol, respectively. Hemolytic activity revealed a final inhibition of 9.42±0.33 % for a 100 μg/mL concentration. The essential oils tested have good antioxidant, antimicrobial, and hemolytic properties thanks to their rich phytochemical composition, and molecular docking analysis confirmed their biological potency.

To help discover a reasonable and eco-friendly insecticide, we undertook a study on the insecticidal potential of carvacrol and essential oils extracted by hydrodistillation using a Clevenger apparatus from the plant species Nigella sativa seeds essential oils of Nigella sativa (EONS) on Callosobruchus maculatus adults. Several tests including contact toxicity, repellent effect, topical contact test, and inhalation effect were conducted. Adults of C. maculatus have been exposed to the toxic effects of different concentrations of these essential oils as well as with carvacrol. The results obtained showed that both EONS and carvacrol exhibited a moderate repellent effect (class II) on C. maculatus adults. EONS showed the highest toxicity by inhalation test, with an LD50 of 13.386 and an LD95 of 33.186 μL/cm2, compared to carvacrol (LD50 = 21.509 and LD95 = 38.877 μL/cm2). The EONS by contact test exhibited more toxic effects, with an LD50 of 23.350 µL/100 g and an LD95 of 45.315 µL/100 g, compared to carvacrol (LD50 = 27.853 µL/100 g and LD95 = 45.184 µL/100 g). For the topical contact test results, carvacrol was more toxic, with an LD50 of 3.915 and an LD95 of 7.696 µL/mL, compared to EONS (LD50 = 14.509 and LD95 = 25.516 µL/mL). The high toxicity of EONS can be explained by the presence of 25.8% of o-cymene, 8.53% of cyclofenchene, and 7.71% of beta-pinene, as well as 4.6% of carvacrol, in its chemical composition. Unmitigatedly, these data suggest that the essential oils of N. sativa may present a raw material for the development of new bio-insecticidal products against C. maculatus, one of the main pests of stored foodstuffs.

The search for novel powerful antimicrobial and antioxidant agents is considered a dynamic field in medicinal chemistry. In this context, a series of spiropyrazoline indolin-3-one congeners were assessed for their in vitro bioactivities, and in-silico studies were conducted to support the experimental results. The antimicrobial screening of the spiropyrazoline oxindole congeners against the selected microbe strains (Staphylococcus aureus (CECT 976), Bacillus subtilis (DSM 6633), Escherichia coli (K12), and Candida albicans (ATCC 10231)) exhibited moderate to excellent, compared to control standard antibiotics (Ampicillin, streptomycin and fluconazole). This activity was observed to be tightly dependent upon the nature of the substituents carried by the aromatic rings. Moreover, the tested compounds showed variable dose-dependent antioxidant activity. Notably, congeners 2c, 2d and 2e exhibited a remarkable antioxidant activity, due to the positive impact of the electron-donating groups (CH3 and OCH3) on the antioxidant activity. Density functional theory (DFT) simulations were executed on the target molecules to better understand their structural and electronic properties, as well as to explain the results obtained from the antioxidant activity. The molecular docking studies showed that the studied congeners have good binding affinities and interactions with the target proteins (catalase compound II and CYP51). Moreover, the 100 ns molecular dynamics (MD) simulation analysis was conducted to follow the behavior of the complexes formed between ligand 2e and the target proteins (2CAG and 5V5Z) under in-silico physiological conditions to explore and evaluate its stability over time. MD simulation indicated a stable conformation and binding patterns in a stimulating environment of the congeners (2CAG-2e and 5V5Z-2e). The results of Petra/Osiris/Molinspiration (POM) analyses suggested that all the spiranic cycloadducts have good oral bioavailability and pharmacokinetics without any evidence of observed toxicity. Taken together, our findings provide valuable experimental and theoretical information that will be helpful for designing novel spiranic molecules with potential pharmacological applications.

Photoredox processes have emerged recently as a powerful tool for methodology developments. In this context, the hydrotrifluoromethylation of alkenes and alkynes using visible light photoredox methodologies has proven its efficiency these last years. This micro-review summarizes the latest developments in this field.

The aim of this work was to model the deep bed and cake filtration process using an alternative approach based on a fractional calculus (FC). The considered experimental data in this study were extracted from published studies. The data used in FC models contained two inputs - initial concentration and time, and volume of filtrate as an output. The FC kinetic constants were tuned by fitting the experimental and predicted data through Dragonfly algorithm implemented in MATLAB programming software. The performance of the developed models was assessed using different metrics by comparing the experimental against the predicted data. The developed fractional model with nth order presented very acceptable metrics in comparison to the pseudo-nth order and displayed strong potential for estimating the volume of filtrate.

Abstract In this review paper, a critical assessment of the main degradation processes in three key components of solid oxide fuel cells and electrolysers (negative and positive electrodes and the interconnect) is undertaken, attempting prioritization of respective degradation effects and recommendation of the best approaches in their experimental ascertainment and numerical modeling. Besides different approaches to quantifying the degradation rate of an operating solid oxide cell (SOC), the latest advancements in microstructural representation (3D imaging and reconstruction) of SOC electrodes are reviewed, applied to the quantification of triple‐phase boundary (TPB) lengths and morphology evolution over time. The intrinsic degradation processes in the negative (fuel) electrode and the positive (oxygen) electrode are discussed, covering first the composition and governing mechanisms of the respective electrodes, followed by a comprehensive evaluation of the most important factors of degradation during operation. By this systematic identification of dominant degradation processes, measurement techniques, and modeling approaches, the foundations are laid for the definition of meaningful accelerated stress testing of SOC cells and stacks, which will help the technology achieve the constantly more demanding durability targets in market applications.

This work aimed to model the critical pressure, temperature, volume properties, and acentric factors of 6700 pure compounds based on five relevant descriptors and two thermodynamic properties. To that end, four methods were used, namely, multi-linear regression (MLR), artificial neural networks (ANNs), support vector machines (SVMs) using sequential minimal optimisation (SMO), and hybrid SVM with Dragonfly optimisation algorithm (SVM-DA) to model each property. The results suggested that hybrid SVM-DA had better prediction performance compared to the other models in terms of average absolute relative deviation (AARD%) of {0.7551, 1.962, 1.929, and 2.173} and R2 of {0.9699, 0.9673, 0.9856, and 0.9766} for critical temperature, critical pressure, critical volume, and acentric factor, respectively. The developed models can be used to estimate the property of newly designed compounds only from their molecular structure.

Tricalcium phosphate (TCP) is a food additive, labeled E341(iii), used in powdered food preparation, such as baby formula. In the United States, calcium phosphate nano-objects were identified in baby formula extractions. Our goal is to determine whether the TCP food additive, as is used in Europe, can be classified as a nanomaterial. The physicochemical properties of TCP were characterized. Three different samples (from a chemical company and two manufacturers) were thoroughly characterized according to the recommendations of the European Food Safety Authority. A commercial TCP food additive was identified as actually being hydroxyapatite (HA). It presents itself in the form of particles of different shapes (either needle-like, rod, or pseudo-spherical), which were demonstrated in this paper to be of a nanometric dimension: E341(iii) is thus a nanomaterial. In water, HA particles sediment rapidly as agglomerates or aggregates over a pH of 6 and are progressively dissolved in acidic media (pH < 5) until the complete dissolution at a pH of 2. Consequently, since TCP may be considered as a nanomaterial on the European market, it raises the question of its potential persistency in the gastrointestinal tract.

Satureja calamintha nepeta (S. calamintha) has a history of successful use in the treatment of bacterial and fungal diseases. The present study was designed to investigate the chemical composition and antioxidant and antimicrobial activities of essential oils extracted from wild S. calamintha (EOSS) and domesticated S. calamintha (EOSD) for comparison purposes. Hydrodistillation was used to extract the essential oils (EOs), while GC/MS was used for chemical analysis. Antioxidant activity was studied using DPPH and FRAP assays. Antifungal activity was performed against Candida albicans, Aspergillus niger, Aspergillus flavus, and Fusarium oxysporum), while antibacterial activity was tested against clinically resistant bacteria, namely Staphylococcus aureus, Escherichia coli, Bacillus subtilis, and Proteus mirabilis. By using ab=n in silico approach, the antioxidant and antimicrobial activities of the main compounds of EOSS and EOSD were also investigated. The yields obtained of EOSS and EOSD were 2.80% and 1.95%, respectively, with a dominance of eucalyptol, pulegone and rotundifolone. Concerning the antioxidant power, the IC50 values recorded by the use of the DPPH assay were in the range of 23.03 ± 4.30 and 24.09 ± 4.38 μg/mL for EOSS and EOSD, respectively, while by using the FRAP assay, the EC50 values were in the range of 55.38 ± 2.16 and 60.72 ± 7.71 μg/mL for EOSS and EOSD, respectively. Importantly, both essential oils of EOSS and EOSD exhibited good antibacterial activity against all studied bacteria; notably, the inhibition zone ranged from 14 ± 0.00 to 48.67 ± 1.15 mm and the MICs ranged from 0.37 ± 0.00 to 5.96 ± 0.00 µg/mL. Similarly, the studied EOs showed important antifungal activities compared to all the studied fungi, wherein the inhibition percentage ranged from 47.33 ± 1.15 to 89.18 ± 0.75%, while the MICs ranged from 0.18 ± 0.00 to 2.98 ± 0.00 µg/mL. The molecular docking results showed that piperitenone and pulegone strongly inhibited human acetylcholinesterase, whereas (+)-Isomenthone and piperitenone strongly inhibited S. aureus nucleoside diphosphate kinase, and E. coli beta-ketoacyl-[acyl carrier protein] synthase, respectively. The outcome of this article suggests that EOs of S. calamintha can be developed as alternative agents to manage drug-resistant phenomena and free radical issues.

This study is aimed at evaluating the potential of the essential oil of Cinnamomum verum (EOCV) as an antioxidant, as an insecticide against Callosobruchus maculatus and for its anti-acetylcholinesterase activity. To this end, EOCV was extracted via hydrodistillation from this plant, and the identification of the phytochemicals was performed using gas chromatography–mass spectrometry (GC–MS). The antioxidant power was determined via in vitro tests, the insecticidal ability was tested via exposing C. maculatus to EOCV, and molecular docking was used to evaluate the anti-cholinesterase ability. The results of these GC–MS analyses show that the main composition of EOCV comprises Cinnamaldehyde dimethyl acetal (64.50%), cinnamicaldehyde (35.04%) and α-Copaene (0.11%). The insecticidal potential of the studied OEs, determined by using the inhalation test, and expressed as the concentration of EOs required for the death of 50% of the insects (LC50) and that required the death of 95% of adults (LC95) after 96 h of exposure, was 3.99 ± 0.40 and 14.91 ± 0.10 μL/L of air, respectively. In the contact test, 96 h of exposure gave an LC50 and LC95 of 3.17 ± 0.28 and 8.09 ± 0.05 μL/L of air, respectively. A comparison of the antioxidant activity of EOCV to that of ascorbic acid via DPPH free radical scavenging ability and Ferric Reducing Antioxidant Power (FRAP) revealed the IC50 and EC50 values of EOCV to be much higher than that obtained for ascorbic acid, and the molecular docking simulation revealed Coumarin, Piperonal, Cinnamaldehyde dimethyl and alpha-Copaene as possessing potential inhibitory activities against human acetylcholinesterase. However, further experimental validation is needed to enhance the prospects of this study.

Artemisia negrei (A. negrei) and Artemisia aragonensis (A. aragonensis) are in the family Asteraceae, which has been used in traditional medicine. The use of plant-derived insecticides has become a promising strategy to reduce the harmful effects of synthetic insecticides and overcome the bio-resistance of pest insects to insecticides. In this regard, the purpose of the current study was to determine the chemical composition and evaluate insecticidal effects of essential oils (EOs) extracted from A. negrei (EON) and A. aragonensis (EOA). Notably, all chemical constituents present in the EOs were identified through GC-MS analysis, whilst the insecticidal properties against Callosobruchus maculatus Fab. (C. maculatus) were investigated by use of in vitro an in silico approaches. The obtained results showed that both tested EOs present a significant insecticidal effect against C. maculatus, which increased significantly upon the dose used in both contact and inhalation tests. The lethal concentrations (LC50) for the inhalation test were found to be 2.1 and 2.97 μL/L, while in the contact test they were 2.08 and 2.74 μL/L of air for EON and EOA, respectively. At 5 μL/L of air, the spawn reduction rate was 88.53 % and 77.41%, while the emergence reduction rate was 94.86% and 81.22% by EON and EOA, respectively. With increasing doses of up to 20 μL/L of air, the reduction in individual emergence reached 100% by the two oils tested after 36 h of treatment. In addition, Molecular docking (MD) simulations supported the in vitro findings and indicated that certain identified components in EOA and EON exhibited stronger hydrogen bonding interactions with the target receptors. Interestingly, the prediction of ADMET properties indicates that the molecules investigated have great pharmacokinetic profiles with no side effects. Taken together, our findings suggest that EOA and EON may exert both potential contact and inhalation insecticidal actions and could be used as an alternative tool for the control of this major insect pest of stored products.

This study was aimed at investigating the micro-formulation of capsules using natural biopolymers, such as cactus mucilage (CM), carboxymethyl cellulose sodium salt (CMCNa) and chitosan (Chi) as the wall material, for the transport and supply of sunflower oil. CM samples were extracted from Opuntia ficus indica (OFI) by precipitation at different supernatant pH values (2, 4 and 12). The extracted natural polysaccharide and the resulting microcapsules were characterized by different experimental techniques. Fourier transform infrared spectroscopy analysis of the CM showed the presence of uronic acid units and sugars. Scanning electron microscopy revealed that most particles were adhered together, causing the formation of compact, linked agglomerates, which resulted in different microstructures with irregular shapes. All oil–core microcapsules were characterized, and the results showed that the different shell materials could be used to microencapsulate sunflower oil. Among them, the microcapsule crosslinked with CM and Chi was the most suitable, with the highest encapsulation efficiency (95 %). This coacervation led to the narrowest size distribution of the capsules, with diameters ranging from 1 to 5 μm. Optical microscopy confirmed the deposition of coacervate droplets around oil drops and clearly showed that the formation of coacervated particles and their deposition onto oil droplets were successive events.

In this study, the solubility of 145 solid solutes in supercritical CO2 (scCO2) was correlated using computational intelligence techniques based on Quantitative Structure-Property Relationship (QSPR) models. A database of 3637 solubility values has been collected from previously published papers. Dragon software was used to calculate molecular descriptors of 145 solid systems. The genetic algorithm (GA) was implemented to optimise the subset of the significantly contributed descriptors. The overall average absolute relative deviation MAARD of about 1.345 % between experimental and calculated values by support vector regress SVR-QSPR model was obtained to predict the solubility of 145 solid solutes in supercritical CO2, which is better than that obtained using ANN-QSPR model of 2.772 %. The results show that the developed SVR-QSPR model is more accurate and can be used as an alternative powerful modelling tool for QSAR studies of the solubility of solid solutes in supercritical carbon dioxide (scCO2). The accuracy of the proposed model was evaluated using statistical analysis by comparing the results with other models reported in the literature.

The article aims to study the removal of heavy metal ions Cd2+, Co2+, and Ni2+ from an aqueous solution using faujasite NaY. The adsorption studies were carried out in the single and binary component system. Sorption experiments were performed in batch at pH (5–6), adsorbent dosage (0.15 g), and initial concentration (0.1–10 mmol/L). The single-ion equilibrium adsorption data were fitted to three isotherm models: Langmuir, Freundlich, and Dubinin-Radushkevich. Results showed that the Langmuir isotherm fits sorption data better than the Freundlich equation. The maximum adsorption capacities (Qmax) were 0.81, 0.85 and 0.92 mmol/g for Cd2+, Ni2+ and Co2+ ions, respectively. Besides, the study of the competitive sorption of ions in a binary system showed that faujasite NaY preferentially adsorbs cations in the following order: Co2+>Ni2+>Cd2+. The obtained RL (separation factor or Langmuir parameter) values were in the range of 0–1 indicating that Cd2+, Co2+, and Ni2+ sorption were favorable. The obtained mean free energy value for adsorption of Co2+ and Ni2+‏were in the range of 8–16 kJ/mol, indicating that ions were uptaken through an ion exchange process.

Withania frutescens (W. frutescens) is a medicinal plant that is largely used in the Morrocan pharmacopeia for disease treatment. This work was conducted to investigate the chemical characterization, analgesic, anti-inflammatory, and healing activities of W. frutescens. The chemical characterization of W. frutescens extract was done using HPLC; the anti-inflammatory test was performed with doses 300, 400 and 450 mg/kg, and the healing activity was assessed using two creams (extract 5% and extract 10%). Phytochemical analysis revealed the presence of phenolic compounds. The results of the anti-inflammatory test were more pronounced when compared with the reference drug with a maximum inhibition percentage of 82.20% ± 8.69 obtained at the dose of 450 mg/kg. Local application of 10% plant cream induced 80.17% ± 7.89 of inflammation inhibition when compared with the indomethacin drug 92.33% ± 11.27. The studied plant extract showed a promising healing activity with the following percentage: 99.03% ± 0.76 (extract 10%), 98.61% ± 1.91 (extract 5%), and 57.43% ± 2.97 (control); meanwhile, the value reached to 100% ± 0.02 for the drug that was used as a reference within the first 2 weeks. The plant studied in this work would be a promising source for conceptualizing effective drugs against inflammatory diseases.

This study emphasized the efficiency of unconventional delignification treatment “Acetocell” as a basic pretreatment to isolate cellulose fiber from Tamarix aphylla’s stem. Chemical proprieties of obtained cellulose were determined and its efficiency for cadmium ions adsorption was evaluated subsequently. Fourier transform infrared spectroscopy (FTIR), X-ray diffraction analysis, thermogravimetric analysis (TGA), Scanning Electron Microscopy (SEM), fluorescence microscope and Morfi were used to analyze the thermochemical and morphological characteristics of the fibers before and after treatment. Cellulose was used as a biosorbent to remove cadmium ions from polluted water. The effects of many parameters on the efficiency removal of cadmium were investigated; the amount of cellulose, the contact time, pH and the initial concentration of cadmium ions. The optimum conditions were 45 mg of adsorbent, 45 mg L−1, 1200 min and pH 8 which provide best adsorption capacity equal to 44.21 mg g−1. The energy value E = 6.65 kJ mol−l which confirm the physical interaction between cellulose-cadmium ions.Then Langmuir, Freundlich, Temkin and Dubinin-Radushkevich models were followed for modeling adsorption. Langmuir isotherm and the pseudo-second order model seems the most suitable which describe better the adsorption of cadmium ions with best R2 values which equal to 0.9937 and 0.9979, respectively.

This work was undertaken to investigate the volatile compounds and insecticidal activity of essential oils (EOs) from Origanum compactum Benth. and Rosmarinus officinalis L. against the crop pest Callosobruchus maculatus (Fab.). Essential oils of Origanum compactum (EOC) and Rosmarinus officinalis L. (EOR) were extracted by use of hydrodistillation, and their volatile compounds were profiled by gas chromatography-mass spectrometry (GC-MS). The insecticidal activity of extracted EOC and EOR was evaluated against C. maculatus. GC-MS analysis revealed that carvacrol (70.88%) and 1,8-cineole (62.35%) were the major constituents of EOC and EOR, respectively. EOC exhibited a potent insecticidal activity with calculated LC50 values of 6.77 and 3.57 μL/L air, 24 and 48 h posttreatment, respectively. Comparable LC50 values were obtained for EOR recording 6.25 and 3.82 μL/L, 48 h posttreatment. The effects of fumigation by the tested EOs on fertility (egg hatching) and the emergence of adult C. maculatus were also investigated. Notably, EOC completely abolished egg fertility judged by the abrogation of emergence of adults, regardless of the tested dose. By contrast, EOR completely inhibited the fertility and the emergence of C. maculatus adults at the dose of 16 μL/10 g. The outcome of the present study highlights the utility of the EOs from O. compactum Benth. and R. officinalis L. as natural sources of effective and ecofriendly pest-control agents.

The aim of this work is to investigate the adsorption of an anionic dye, the Murexide (MX) present in aqueous solution, on activated carbon, derived from prickly pear seed cake biomass after bio-oil extraction. The obtained adsorbent used was characterized by Bohem titration, pH of point of zero charge (pHPZC), FTIR spectroscopy, Brunauer–Emmett–Teller surface area (SBET), and scanning electron microscopy (SEM). The different experimental parameters of the adsorption process, such as temperature, contact time, initial dye concentration, and adsorbent dose, were studied. For the optimization of the process, the effects of these parameters were investigated using the full factorial experimental design methodology. Design Expert 11.1.2.0 Trial software was used for generating the statistical experimental design and analysing the observed data. Langmuir and Freundlich’s adsorption models were employed to provide a description of the equilibrium isotherm. The adsorption process was found to obey Langmuir, which indicates that the Murexide had formed a monolayer onto activated carbon. Furthermore, according to the regression coefficients, it was observed that the kinetic adsorption data can fit better by the pseudo-second-order model compared to the first-order Lagergren’s model. The thermodynamic studies indicated that the adsorption of Murexide occurs in a spontaneous and exothermic process. The regeneration process of the exhausted adsorbent was studied to assess the economic and operational feasibility. According to the obtained findings, it is proposed that the activated carbon prepared from prickly pear seed cake retains a high potential for Murexide removal and is suitable for repetitive usage.

The oxidation of chlorobenzene (CB) was studied by electrochemical electrolysis using boron-doped diamond (BDD), PbO2 or platine (Pt) as anode and graphite bar as cathode. The effect of applied current density, supporting electrolyte and initial pH value were also studied. The results demonstrated that BDD anode had the best effectiveness and accomplishment of electrochemical degradation of CB compared to PbO2 and Pt anodes. For a current density of 20 mA/cm2 and at pH = 3, the elimination of COD and TOC were about 97% and 98%, respectively, after 360 min of electrolysis with the BDD anode. Pseudo-first order kinetics appears to be the most appropriate to describe the degradation of chlorobenzene. The electrochemical mechanism of chlorobenzene on BDD was proposed based on the identified intermediates.

The present study was conducted to evaluate the anticorrosive and antioxidant activities of essential oil from Withania frutescens L. In the present study, the extraction of Withania frutescens L. essential oil (Wf-EO) was conducted using hydrodistillation before being characterized by gas chromatographic analysis (GC/MS) and flame ionization detector (GC/FID). Four bioassays were used for antioxidant testing including 2,2-diphenyl-1-picrylhydrazyl (DPPH), total antioxidant capacity (TAC), ferric reducing antioxidant power (FRAP), and β-carotene bleaching. The inhibiting effect of Wf-EO on the corrosion behavior of mild steel in 1.0 M HCl was conducted by using polarization curves and electrochemical impedance spectroscopy techniques. The yield of Wf-EO was 0.46% including 175 compounds identified by GC-MS. The oil was mostly constituted of camphor (37.86%), followed by thujone (26.47%), carvacrol (6.84%), eucalyptol (3.18%), and linalool (2.20%). The anti–free radical activity of Wf-EO was 34.41 ± 0.91 μg/ml (DPPH), 9.67 ± 0.15 mg/ml (FRAP), 3.78 ± 0.41 mg AAE/g (TAC), and 89.94 ± 1.44% (β-carotene). The Wf-EO showed potent antioxidant activity in all bioassays used for testing. The anticorrosion activity, polarization curves as well as EIS diagrams indicated that the Wf-EO exhibited anticorrosive properties and reacted as a suitable corrosion inhibitor in an acidic medium.

Mesoporous amorphous and nanocrystalline titanium dioxide were prepared by simple and environmental friendly modified Sol-Gel method using cationic (C14TAB, C16TAB, C18TAB) and nonionic (Plantacare UP K55) surfactant as pore forming agent. The obtained particles were characterized by BET, TEM, FT-IR and XRD techniques. The effect of cationic surfactant chain length and type of template on the photocatalytic activity of as prepared TiO2 nanoparticles were investigated by the degradation of rhodamine B in water solution under UV irradiation. The results indicated that this process was well described by pseudo-first order kinetic model. All the prepared titanium dioxide particles with cationic and nonionic surfactant exhibited higher performance for rhodamine B photo-degradation. The sample with large pore size and small particle size which obtained by using C18TAB surfactant showed high photocatalytic activity compared with the others samples and commercial P25. The mechanism of photocatalytic degradation of rhodamine B was proposed based on the degradation products determined by GC/MS and LC/MS. The performance of the recycled TiO2 as photocatalyst was investigated.

Nanocrystalline powders of TiO2 xerogel and aerogel were prepared by using acid-modified sol–gel approach. For TiO2 aerogel material (TA), the solvent was high temperature supercritically extracted at 300 °C and 100 bars. However, the TiO2 xerogel material (TX) was dried at 200 °C and ambient pressure. The effects of the drying processes on the crystalline structure, phase transformation and grain growth were determined by Raman spectroscopy, SAED and X-ray diffraction (XRD) analyses using Rietveld refinement method. The TiO2 aerogel was composed of anatase crystalline structure. The TiO2 xerogel material was composed of anatase, brookite and small amount of amorphous phase with anatase as dominant phase. The TX sample still contains a relatively high concentration of carbon than that of TA, indicating the amorphous character of TiO2 xerogel. These materials were applied as catalyst for the degradation of indigo carmine in aqueous medium. Photo-degradation ability of TA and TX was compared to the TiO2 commercial Degussa P25. The photo-catalytic results showed that the degradation efficiency was in the order TA > P25 > TX. The photo-degradation of indigo carmine followed pseudo first order reaction kinetics. Keywords: Sol–gel, Xerogel, Aerogel, Supercritical drying, Photodegradation

Spherical and rod mesoporous silica nanoparticles with hexagonal mesostructure were prepared using the modified Stöber method. The morphology, size and internal pore structure can be controlled by simple changing of surfactant concentration and water:ethanol molar ratio. Monodispersed spheroid MCM-41 was obtained at 40 °C under basic conditions using cetyltrimethylammonium bromide (C16TAB) as template. Obtained materials were characterized by X-ray diffraction (XRD), nitrogen physisorption (BET), transmission electron microscopy (TEM) and scanning electronic microscopy (SEM). The results reveal that the pore volume and surface area increase when the amount of C16TAB increases whereas the pore diameter and particle size decrease. However, the use of ethanol as cosolvent led to an increase in the particles’ size. Moreover, the addition of a 3-aminopropyltriethoxysilane greatly influenced the final particle shape. The material was effectively used for the removal of two fluorescent dyes (Hoechst 33342 and rhodamine 6g) from aqueous solution. Adsorption isotherm models, Langmuir, Freundlich and Temkin were used to simulate the equilibrium data. The Langmuir model was found to fit the experimental data better than others models. Keywords: MCM-41, Modified Stöber method, Adsorption, Hoechst-33342, Rhodamine-6g

This work was conducted to study the chemical composition, antioxidant, antibacterial, and antifungal activities of essential oil and hydrolat from Withania frutescens. The essential oil was extracted by hydrodistillation. The chemical characterization was performed using gas chromatography-mass spectrometry (GC/MS). The antioxidant activity was studied using four different assays (DPPH, TAC, FRAP, and β-carotene bleaching). The antibacterial activity test was carried out on multidrug-resistant bacteria including Gram-negative and Gram-positive strains. Antifungal activity was tested on Candida albicans and Saccharomyces cerevisiae. The yield of essential oil (EO) obtained by hydrodistillation of W. frutescens was 0.31% majorly composed of camphor, α-thujone, carvacrol, and thymol. Regarding the antioxidant activities, the concentration of the sample required to inhibit 50% of radicals (IC50) of EO and hydrolat were 14.031 ± 0.012 and 232.081 ± 3.047 µg/mL (DPPH), 4.618 ± 0.045 and 8.997 ± 0.147 µg/mL (FRAP), 0.091 ± 0.007 and 0.131 ± 0.004 mg AAE/mg (TAC), 74.141 ± 1.040% and 40.850 ± 0.083% (β-carotene), respectively. Concerning the antibacterial activity of essential oil and hydrolat, the minimum inhibitory concentration (MIC) values found were 0.006 ± 0.001 and 6.125 ± 0.541 µg/mL (Escherichia coli 57), 0.003 ± 0.001 and 6.125 ± 0.068 µg/mL (Klebsiella pneumoniae), 0.001 ± 0.0 and 6.125 ± 0.046 µg/mL (Pseudomonas aeruginosa) and 0.012 ± 0.003 and 6.125 ± 0.571 µg/mL (Staphylococcus aureus), respectively. MIC values of essential oil and hydrolat vs. both C. albicans and S. cerevisiae were lower than 1/20,480 µg/mL. Based on the findings obtained, essential oils of Withania frutescens can be used as promising natural agents to fight free radical damage and nosocomial antibiotic-resistant microbes.

Diabetes mellitus is a metabolic syndrome that causes impairment, mortality, and many other complications. Insulin and several synthetic medications are currently used in the treatment of diabetes. However, these pharmaceutical drugs are costly, and therefore medicines place priority on alternatives to fight this lethal disease. This modest study aims to investigate the chemical composition, antidiabetic and antihyperglycemic potentials along with subacute toxicity (bodyweight change and biochemical parameters) of hydroethanol extract from Withania frutescens L. roots (WFRE). The chemical analysis was carried out using GC–MS after extract silylation. The chemical analysis identified many potentially active compounds that may determine the antidiabetic results of WFRE. The antidiabetic effect of WFRE was evaluated in mice with severe diabetes using oral administration of doses up to 400 mg/kg for 28 days. The results of the antidiabetic and antihyperglycemic tests indicate that WFRE possesses promising glucose-lowering effects and, as a result, it may serve as an antidiabetic alternative for long-term use. The 4-week treatments with different doses of plant extract did not alter the bodyweight appearance of the diabetic mice nor their biochemical parameters (AST and ALT). The findings obtained indicate that the studied plant extract controlled severe diabetes in mice. Therefore, Withania frutescens L. can serve society as it provides natural agents to control diabetes.

Condyloma acuminata is an infectious disease caused by the human papilloma virus (HPV) and one of the most common sexually transmitted infections. It is manifested as warts that frequently cause pain, pruritus, burning, and occasional bleeding. Treatment (physical, chemical, or surgical) can result in erosion, scars, or ulcers, implying inflammatory processes causing pain. In this work, a biocompatible topical hydrogel containing 2% ketorolac tromethamine was developed to manage the painful inflammatory processes occurring upon the removal of anogenital condylomas. The hydrogel was physically, mechanically, and morphologically characterized: it showed adequate characteristics for a topical formulation. Up to 73% of ketorolac in the gel can be released following a one-phase exponential model. Upon application on human skin and vaginal mucosa, ketorolac can permeate through both of these and it can be retained within both tissues, particularly on vaginal mucosa. Another advantage is that no systemic side effects should be expected after application of the gel. The hydrogel showed itself to be well tolerated in vivo when applied on humans, and it did not cause any visible irritation. Finally, ketorolac hydrogel showed 53% anti-inflammatory activity, suggesting that it is a stable and suitable formulation for the treatment of inflammatory processes, such as those occurring upon chemical or surgical removal of anogenital warts.

In this study, Microwave-Assisted Solvent Extraction (MASE) was used to recover oil residues from pomace olive using acidic hexane. Results obtained demonstrated that oil extraction yield increased with time, the amount of acetic acid in hexane and power radiation. For both radiation powers used (170 and 510W), the optimal extraction time and most interesting content of acetic acid in hexane are 1.5 minutes and 5.0% respectively. Oil yield obtained at power 510 W was slightly higher than those corresponding to 170 W. Compared to results obtained with pure hexane, the yield increases were 8.4 % at 170 W and 6.0% at 510 W. However, the oil extracted from pomace olive was found to be of poor quality; indeed only phenolic compounds concentration increased significantly with acetic acid content.

The aim of this work was to examine the static capacity of adsorption of anthracene by Posidonia oceanica and activated carbon. The effect of experimental parameters pH and contact time on the anthracene adsorption onto cited materials was investigated in detail. The results showed that the anthracene removal on both P. oceanica and activated carbon was unaffected in the pH range of 2–12. The equilibrium data fit well to the Langmuir model with a maximum adsorption capacity of 8.35 mg/g and 0.14 mg/g, respectively with activated carbon and P. oceanica.

3,4-Dihydropyrimidinones/thiones and their derivatives are synthesized via Biginelli routes involving an aldehyde, 1,3-dicarbonyl compound and urea or thiourea. Use of catalysts such as bismuth nitrate in acetonitrile or PPh3 without solvent lead to higher yields compared to the classic method using HCl in ethanol. In such way, 3,4-dihydropyrimidinones which are hardly prepared under classic conditions can be synthesized with fair yields.

The investigation of propolis collected from Jijel, located in the northern-east part from Algeria afforded five flavones: pectolinarigenin (1), pilosin (2), ladanein (3), Chrysin (4) and apigenin (5). The structures were elucidated by spectroscopic analysis, including mass spectrometry, 1D and 2D NMR.