Study of Cellulose Dissolution in ZnO/NaOH/Water Solvent Solution and Its Temperature-Dependent Effect Using Molecular Dynamics Simulation.

Cellulose is a biopolymer with numerous advantages that make it an ecological, economical, and high-performing choice for various applications. To fully exploit the potential of cellulose, it is often necessary to dissolve it, which poses a current challenge. The aqueous zinc oxide/sodium hydroxide (ZnO/NaOH/Water) system is a preferred solvent for its rapid dissolution, non-toxicity, low cost, and environmentally friendly nature. In this context, the behavior of cellulose chains in the aqueous solution of ZnO/NaOH and the impact of temperature on the solubility of this polymer were examined through a molecular dynamics simulation. The analysis of the root means square deviation (RMSD), interaction energy, hydrogen bond curves, and radial distribution function revealed that cellulose is insoluble in the ZnO/NaOH solvent at room temperature (T = 298 K). Decreasing the temperature in the range of 273 K to 268 K led to a geometric deformation of cellulose chains, accompanied by a decrease in the number of interchain hydrogen bonds over the simulation time, thus confirming the solubility of cellulose in this system between T = 273 K and T = 268 K.

Performance of vertical flow constructed wetland for the treatment of effluent from a brassware industry in city of Fez, Morocco: a laboratory scale study.

Brassware industry constitutes the second most polluting industrial sector in Fez city, Morocco, owing to its high heavy metal load. The aim of this study is to examine and evaluate the performance of vertical flow constructed wetlands in treating brassware effluents using various plant species. Ten treatment systems were planted with four types of plants: Chrysopogon zizanioides, Typha latifolia, Phragmites australis, and Vitex agnus-castus, while another system remained unplanted. These systems underwent evaluation by measuring various parameters, including pH, electrical conductivity, suspended solids, chemical oxygen demand, biological oxygen demand, sulfates, orthophosphates, total Kjeldhal nitrogen, ammonium, nitrates, nitrites, and heavy metals such as silver, copper, and nickel, using standard methods over of ten weeks. The results obtained demonstrate effectiveness of these systems. When planted with Ch. zizanioides, the systems achieved elimination rates of 83.64%, 98.55%, 91.48%, 86.82%, 80.31%, 96.54%, 98%, and 98.82% for suspended solids, ammonium, nitrites, BOD5, sulfates, orthophosphates, silver, and nickel, respectively. System with V. agnus-castus showed significant reductions in nitrate and copper, with rates of 84.48% and 99.10%, respectively. Considerable decrease in pH and electrical conductivity values was observed in all systems, with a notable difference between planted and control systems regarding effectiveness of treatment for other parameters.

The novelty of this study lies in the application of constructed wetlands for the treatment of brassware effluents in the city of Fez, Morocco. Consequently, a comparison was conducted to assess the removal efficiency of Chrysopogon zizanioides (L.) Roberty and Vitex agnus-castus L., in comparison to Typha latifolia L. and Phragmites australis (Cav.) Trin. These four plant species were specifically chosen for their high elimination capacity and resistance to the toxicity of the pollutants. Notably, this study represents an unexplored aspect in the existing literature. Nevertheless, T. latifolia and P. australis have been extensively utilized in constructed wetlands for treating diverse wastewaters. The findings from this study can also be extrapolated to pilot-scale constructed wetlands, offering valuable insights for the removal of pollutants from brassware wastewater.

Alzheimer's disease: In silico study of rosemary diterpenes activities.

The global surge in Alzheimer's disease poses a significant public health concern. In response, we study the efficacy of carnosic acid and related abietane-type diterpenes extracted from rosemary as acetylcholinesterase (AChE) inhibitors. Our analyses, using in silico techniques, encompassed all the compounds within this extract. Through molecular docking, we explored how these compounds interact with the active site of the AChE protein. The docking scores, ranging from -5.560 Kcal/mol to -7.270 Kcal/mol, indicate robust binding affinities. Assessment of the ADME/T (Adsorption, Distribution, Metabolism, Excretion, and Toxicity) properties and pharmacokinetics of these compounds reveal favorable profiles for all the tested substances. These encouraging results suggest the potential of these compounds as candidates for further development to prevent and/or treat Alzheimer's disease. Among these compounds, we find rosmanol as the most likely candidate for further research and clinical trials to validate their efficacy.

Evaluating the effectiveness of coagulation-flocculation treatment on a wastewater from the moroccan leather tanning industry : An ecological approach.

The removal of pollutants from tannery wastewaters, which is renowned for its substantial volumes, intricate composition, and considerable hazards to human health and the environment, is a prominent research area in the field of water treatment. The aim of this study is to employ a bio-coagulant derived from Parkinsonia aculeata seeds and a bio-flocculant derived from Hibiscus esculentus to minimise the concentration of pollutants in the combined wastewater originating from tanneries. In the course of the research, a thorough physicochemical analysis of the coagulating and flocculating agents, Parkinsonia aculeata (PA) and Hibiscus esculentus (HE), was performed using techniques such as XRD (X-ray diffraction), FTIR (Fourier-transform infrared spectroscopy), and SEM-EDS (scanning electron microscopy-energy dispersive X-ray spectroscopy). This analysis aimed to determine the composition and characteristics of these biomasses. Subsequently, a comprehensive overview was conducted to summarize the various factors that influence the treatment of tannery wastewater through coagulation/flocculation. This was accomplished by manipulating the target factors and observing their impact on the removal of specific physicochemical parameters such as chemical oxygen demand (COD), electrical conductivity (EC), total chromium (Cr) and Optical density (OD). The variables that were established include pH, dosage of coagulant and flocculant, as well as the speed and duration of agitation in both the fast and slow mixing stages. The experiments were carried out while taking into account the optimal parameters, leading to the near-complete removal of all analyzed pollutants. The optimal requirements for the Parkinsonia aculeata-Hibiscus esculentus Coagulation Flocculation System involve adjusting the pH to 8, choosing concentrations of approximately 1.25 g L-1 and 0.6 g L-1 for the coagulant and flocculant respectively, maintaining a fast speed of 170 rpm for 3 min while keeping the slow agitation at around 30 rpm for 20 min. The removal rates achieved after treating tannery wastewater using the PA-HE coagulant-flocculant combination demonstrate high efficacy, with values reaching approximately 100% for TSS, 98.71% for BOD5, 99.93% for COD, 98.88% for NH4+, 98.21% for NO3-, 90.32% for NO2-, 93.13% for SO42-, 95.44% for PO43-, 96.08% for OD and 60% for total chromium. These results indicate the successful removal of a wide range of pollutants from tannery wastewater through the PA-HE treatment method. In predicting the CF treatment approach, PCA has been employed to preprocess the input data and determine the key variables that impact the process. This can streamline the modeling process and enhance the precision of the predictions.

The Phenolic Content of Pistacia lentiscus Leaf Extract and Its Antioxidant and Antidiabetic Properties.

The aims of this study were to determine the polyphenolic profile, to estimate the total phenolic and flavonoid contents, and to evaluate the antioxidant and antidiabetic activities of the extract of Pistacia lentiscus leaves, and the hydroacetonic mixture was employed as an alternative for common solvents in the extraction process. In order to explain the antidiabetic activity, molecular docking has been performed on the main constituents of the leaf extract. The characterization of the extract has been performed by high-performance liquid chromatography (HPLC) leading to the detection of 20 compounds of which gallic acid, ellagic acid, catechin, kaempferol, and quercetin 3-glucoside were identified using authentic standards. The total phenolic and flavonoid contents, assessed using the Folin-Ciocalteu and quercetin methods, were 394.5 ± 0.08 mg gallic acid equivalent/g dry extract (mg GAE/g DE) and 101.2 ± 0.095 mg quercetin equivalent/g dry extract (mg QE/g DE), respectively. On the other hand, the antioxidant activity of leaf extract, quantified by determining the ability to neutralize the free radical DPPH and ß-carotene/linoleate model system, reached the values of 0.0027 ± 0.002 mg/mL and 0.128 ± 0.04 mg/mL, respectively. Regarding the antidiabetic activity, based on the inhibition of pancreatic α-amylase activity, a significant inhibition of about 68.20% with an IC50 value of 0.266 mg/mL had been observed. This finding is consistent with the molecular docking study of the main phenolic compounds of the extracts, where a remarkable binding affinity against α-amylase was observed, with values of -7.631 (kcal/mol), -6.818 (kcal/mol), and -5.517 (kcal/mol) for the major compounds catechin, quercetin-3-glucoside, and gallic acid, respectively.

Essential Oil of Lavandula officinalis: Chemical Composition and Antibacterial Activities.

The purpose of this study was to determine the chemical composition of the essential oil of Lavandula officinalis from Morocco using the GC-MS technique and assess the antibacterial effects against seven pathogenic bacteria strains isolated from the food origins of Salmonella infantis, Salmonella kentucky, Salmonella newport, three serotypes of Escherichia coli (O114H8K11, O127K88ac, O127H40K11) and Klebsiella. Tests of sensitivity were carried out on a solid surface using the Disc Diffusion Method. Results showed that E. coli and S.newport were sensitive to Lavandula officinalis essential oil. Minimum inhibitory concentrations (MIC) were determined using the method of agar dilution. The antibacterial results showed that four strains (three serotypes of E. coli, and S. newport) were remarkedly sensitive to Lavandula officinalis essential oil, giving MIC values of 88.7 µg/mL and 177.5 µg/mL. The molecular docking of the main oil products with the E. coli target protein 1VLY, showed that eucalyptol and linalyl acetate bind efficiently with the active site of the target protein. In particular, eucalyptol showed a higher activity than gentamicin used as positive control with a binding energy of -5.72 kcal/mol and -5.55 kcal/mol, respectively.

Treatment of tannery effluent by adsorption onto fly ash released from thermal power stations: Characterisation, optimization, kinetics, and isotherms.

Fly ash is a significant pollutant in thermal power stations. Although this waste harms the environment and humans, it is badly removed and managed, and only a few studies are interested in this waste. For that, this study aims to valorise fly ash into potential adsorbents to treat tannery effluents for the first time. The physicochemical characterisation showed that fly ash has a pHpzc of 9.78, a very porous structure, a high specific surface area of 3127.2 m2/g with a total pore volume of 3.27 cm3/g, and a high silica and aluminium percentage. SEM showed that the fly ash studied has a small particle size ranging between 32 nm and 100 µm. Batch adsorption experiments were done, and the effects of adsorption parameters were investigated. The kinetics and isotherms models indicate that the equilibriums were achieved in 30 min, where the maximum uptake capacity was 2496, 223.7 and 106.8 mg/g for Chemical Oxygen Demand (COD), chromium (VI) and sulfide ions, respectively. The kinetic data were well fitted to the pseudo-second-order model and showed that adsorption onto fly ash may be chemical and physical simultaneously. Freundlich's model gave a better fit for the experimental adsorption equilibrium data and displayed multilayer adsorption. The thermodynamic isotherm showed that the adsorption onto fly ash is thermodynamically spontaneous (ΔG° < 0) and endothermic (ΔH° > 0). In conclusion, fly ash, which is a free material, has a more robust adsorption capacity than other expensive materials. Thus, it can be a promising, eco-friendly, attractive adsorbent for industrial wastewater treatment.

Rosemary as a Potential Source of Natural Antioxidants and Anticancer Agents: A Molecular Docking Study.

Rosmarinus officinalis L. compounds, especially its main polyphenolic compounds, carnosic acid (CA) and rosmarinic acid (RA), influence various facets of cancer biology, making them valuable assets in the ongoing fight against cancer. These two secondary metabolites exhibit formidable antioxidant properties that are a pivotal contributor against the development of cancer. Their antitumor effect has been related to diverse mechanisms. In the case of CA, it has the capacity to induce cell death of cancer cells through the rise in ROS levels within the cells, the inhibition of protein kinase AKT, the activation of autophagy-related genes (ATG) and the disrupt mitochondrial membrane potential. Regarding RA, its antitumor actions encompass apoptosis induction through caspase activation, the inhibition of cell proliferation by interrupting cell cycle progression and epigenetic regulation, antioxidative stress-induced DNA damage, and interference with angiogenesis to curtail tumor growth. To understand the molecular interaction between rosemary compounds (CA and RA) and a protein that is involved in cancer and inflammation, S100A8, we have performed a series of molecular docking analyses using the available three-dimensional structures (PDBID: 1IRJ, 1MR8, and 4GGF). The ligands showed different binding intensities in the active sites with the protein target molecules, except for CA with the 1MR8 protein.

The complete genome sequence of Androctonus mauritanicus, the Moroccan black thick-tailed scorpion.

Androctonus mauritanicus is a large scorpion indigenous to North Africa. Notable for its extremely potent venom, it is responsible for several human deaths a year. We present the whole genome sequence of this species. Illumina sequencing was performed on a genetic sample from a single wild-caught individual. The reads were assembled using a de novo method followed by a finishing step. The raw and assembled data are publicly available via GenBank: Sequence Read Archive (SRR10738938) and Assembly (GCA_011317285).

Microbial community dynamics in the mesophilic and thermophilic phases of textile waste composting identified through next-generation sequencing.

Composting is a promising source of mesophilic and thermophilic microorganisms directly involved in the decay of organic matter. However, there is a paucity of information related to bacterial and fungal diversity in compost and their enzymatic activities during the composting process. In this work, bacterial and fungal diversity during the mesophilic and thermophilic phases of textile waste composting was investigated as a way to explain the physical-chemical results obtained during the composting process. This was accomplished using a next-generation sequencing approach that targets either the 16S rRNA or ITS genomic regions of bacteria and fungi, respectively. It was observed that Proteobacteria, Bacteroidetes, and Actinobacteria were the dominant bacterial phyla present at the mesophilic phase but not at the thermophilic one. Composting textile waste exhibits a sustained thermophilic profile (above 55 °C) that usually precludes fungal activity. Nonetheless, the presence of fungi at the thermophilic phase was observed. Rozellomycota, Basidiomycota, and Ascomycota were the most dominant phyla during both composting phases. Such thermophilic fungi with great ability to decay organic matter could be isolated as pure cultures and used for the bioaugmentation of textile waste composting to achieve an advanced maturity level of textile waste compost.

Optimization of bioconversion of oleuropein, of olive leaf extract, to hydroxytyrosol by Nakazawaea molendini-olei using HPLC-UV and a method of experimental design.

In the present study we aimed firstly to assess the resistance of a set of yeasts, isolated from the black olive pomace, to various phenolic compounds; and to evaluate their growth capacities on an olive leaf extract rich of oleuropein. The results showed that only three yeasts were able to both resist to the different phenolic compounds tested and grow on the olive leaf extract at a concentration of 1%. The second step was devoted to studying the bioconversion of oleuropein of an olive leaf extract into hydroxytyrosol by the above selected three yeasts. The oleuropein degradation and hydroxytyrosol formation were monitored by HPLC-UV. Only one yeast isolate; identified using molecular tools; was chosen to optimize the bioconversion throughout the optimization of the most influencing parameters: temperature, substrate concentration, cell concentration, and pH of the extract using a method of experimental design. The results showed that the three yeasts; F6, F4, and F12 were capable of producing hydroxytyrosol from oleuropein with different concentrations 317 ± 14 mg/l, 210 ± 14 mg/l, and 149 ± 21 mg/l; respectively. The strong oleuropienolytic activity manifested by the F6 isolate was further optimized, and the results showed that the optimal conditions for producing the maximum of hydroxytyrosol are: a temperature of 31 °C, a cell concentration of 2%, a substrate concentration of 1%, and a non-adjusted pH of the extract. Based on the molecular approaches F6 was identified as Nakazawaea molendini-olei.

Phenolic profile (HPLC-UV) of olive leaves according to extraction procedure and assessment of antibacterial activity.

The aim of the present study is to firstly study the effect of the extraction solvents (ethanol, acetonitrile, distilled water), pH, temperature, and the extraction method (maceration, sonication, maceration in two steps) on the flavonoid and phenolic contents of olive leaves. Furthermore, qualitative and quantitative analyzes of phenolic compounds by (HPLC) were performed. Results showed that the extract macerated in two steps by ethanol followed by distilled water of dried leaves showed high contents of phenolic compounds and flavonoids compared to the extracts obtained by the other studied techniques and solvents. On the other hand, the macerated extracts were studied for their antibacterial activity against five pathogenic bacteria (Pseudomonas aeruginosa, Escherichia coli, Staphylococcus aureus, Bacillus subtilis and Listeria monocytogenes). The results showed a strong antibacterial activity of the same macerated extract in two steps for dried leaves, which could be attributed to its richness in bioactive compounds such as oleuropein.

Electrocoagulation of olive mill wastewaters to enhance biogas production.

OBJECTIVES: To assess the combination of electrocoagulation and anaerobic co-digestion of olive mill wastewaters (OMWW) with other substrates, such as chicken manure, in a continuous stirred tank reactor for biogas production. RESULTS: Anaerobic digestion of OMWW treated by electrocoagulation allowed higher production of biogas, up to 0.74 l biogas g-1 COD introduced compared to untreated or diluted olive mill wastewaters (OMWW) (0.37 and 0.6 l biogas g-1 COD) respectively. Pretreated OMWW co-digested with chicken manure at different volumic ratios OMWW/manure in a continuous stirred tank reactor under mesophilic conditions revealed that OMWW/manure (7:3 v/v) was optimal for biogas production and process stability. CONCLUSION: Anaerobic digestion could achieve promising results in depollution and valorization of OMWW under a continuous stirred tank reactor.

Genotoxicity evaluation of effluents from textile industries of the region Fez-Boulmane, Morocco: a case study.

In order to investigate the biological hazard of effluents from textile industries of Fez-Boulmane region in Morocco, mutagenicity and phytotoxicity tests were performed on different biological systems. Moreover, the efficiency of a Sequencing Batch Reactor (SBR) system, working by activated sludge on a laboratory scale, was estimated by comparing the ecotoxicity results observed before and after wastewater treatment. Evaluation of the genotoxic potential was investigated by means of classic mutagenicity tests on D7 strain of Saccharomyces cerevisiae and by phytotoxicity tests on Allium sativum L., Vicia faba L. and Lactuca sativa L., estimating micronuclei presence, mitotic index and cytogenetic anomalies. The results obtained by testing untreated wastewater demonstrated major genotoxicity effects in S. cerevisiae and various levels of phytotoxicity in the three plant systems, while after SBR treatment no more ecotoxicological consequences were observed. These data confirm the effectiveness of the SBR system in removing toxic substances from textile wastewaters in Fez-Boulmane region.