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This study presents an innovative approach utilizing artificial intelligence (AI) for the prediction and classification of water quality parameters based on physico-chemical measurements. The primary objective was to enhance the accuracy, speed, and accessibility of water quality monitoring. Data collected from various water samples in Algeria were analyzed to determine key parameters such as conductivity, turbidity, pH, and total dissolved solids (TDS). These measurements were integrated into deep neural networks (DNNs) to predict indices such as the sodium adsorption ratio (SAR), magnesium hazard (MH), sodium percentage (SP), Kelley's ratio (KR), potential salinity (PS), exchangeable sodium percentage (ESP), as well as Water Quality Index (WQI) and Irrigation Water Quality Index (IWQI). The DNNs model, optimized through the selection of various activation functions and hidden layers, demonstrated high precision, with a correlation coefficient (R) of 0.9994 and a low root mean square error (RMSE) of 0.0020. This AI-driven methodology significantly reduces the reliance on traditional laboratory analyses, offering real-time water quality assessments that are adaptable to local conditions and environmentally sustainable. This approach provides a practical solution for water resource managers, particularly in resource-limited regions, to efficiently monitor water quality and make informed decisions for public health and agricultural applications. [ABSTRACT FROM AUTHOR]

The green synthesis of silver nanoparticles (AgNPs) using plant extracts is an eco-friendly method with potential for biomedical and environmental applications. This study aims to synthesize silver nanoparticles (SO-AgNPs) using Salvia officinalis L. extract and evaluate their antioxidant and antibacterial properties, positioning them as candidates for applications in sustainable biomedicine and wastewater treatment. S. officinalis L. extract was used to synthesize AgNPs under optimized conditions, with a 10% extract/AgNO₃ ratio and a reaction time of 180 min. The SO-AgNPs were characterized using ATR-FTIR, XRD, SEM, DLS, and Zeta potential analysis. The antioxidant activity of the extract and SO-AgNPs was evaluated using ABTS+• and DPPH• radical scavenging assays. Antibacterial activity was tested against 11 bacterial strains and bacteria isolated from industrial effluent, with minimal inhibitory concentrations (MIC) determined for both the extract and SO-AgNPs. The SO-AgNPs demonstrated potent antioxidant activity, with IC₅₀ values of 0.233 mg/mL and 0.305 mg/mL in the ABTS+• assay, and 0.173 mg/mL and 0.185 mg/mL in the DPPH• assay for the extract and SO-AgNPs, respectively. Antibacterial testing showed MIC values of 0.25 mg/mL for SO-AgNPs and between 3.12 and 6.25 mg/mL for S. officinalis L. extract against E. coli, P. aeruginosa, A. baumannii, MRSA, B. cereus, and S. epidermidis. For bacteria isolated from industrial effluent, the MIC values were 0.125 mg/mL for SO-AgNPs and 0.5 mg/mL for the extract. This study highlights the dual antioxidant and antibacterial capabilities of S. officinalis L. extract and SO-AgNPs, demonstrating their potential for use in both biomedical and environmental applications, including wastewater treatment. [ABSTRACT FROM AUTHOR]

An asymmetric synthesis is a favorable approach for obtaining enantiomerically pure substances, but racemic resolution remains an efficient strategy. This study aims to elucidate the chiral resolution of aromatic amino acids and their elution order using glycopeptides as chiral selectors through molecular docking analysis. Chiral separation experiments were conducted using Vancomycin as a chiral additive in the mobile phase (CMPA) at various concentrations, coupled with an achiral amino column as the stationary phase. The Autodock Vina 1.1.2 software was employed to perform molecular docking simulations between each enantiomer (ligand) and Vancomycin (receptor) to evaluate binding affinities, demonstrate enantiomeric resolution feasibility, and elucidate chiral recognition mechanisms. Utilizing Vancomycin as CMPA at a concentration of 1.5 mM enabled the separation of tryptophan enantiomers with a resolution of 3.98 and tyrosine enantiomers with a resolution of 2.97. However, a poor chiral resolution was observed for phenylalanine and phenylglycine. Molecular docking analysis was employed to elucidate the lack of separation and elution order for tryptophan and tyrosine enantiomers. By calculating the binding energy, docking results were found to be in good agreement with experimental findings, providing insights into the underlying mechanisms governing chiral recognition in this system and the interaction sites. This comprehensive approach clarifies the complex relationship between chiral discrimination and molecular architecture, offering valuable information for creating and improving chiral separation protocols. [ABSTRACT FROM AUTHOR]

The search results offer comprehensive insights into the phenolic compounds, antioxidant, anti-inflammatory, cytotoxic effects, LC-MS/MS analysis, molecular docking, and MD simulation of the identified phenolic compounds in the Astragalus arpilobus subsp. hauarensis extract (AAH). The analysis revealed substantial levels of total phenolic content (TPC), with a measured value of 191 ± 0.03 mg GAE/g DM. This high TPC was primarily attributed to two key phenolic compounds: total flavonoid content (TFC) and total tannin content (TTC), quantified at 80.82 ± 0.02 mg QE/g DM and 51.91 ± 0.01 mg CE/g DM, respectively. LC-MS/MS analysis identified 28 phenolic compounds, with gallic acid, protocatechuic acid, catechin, and others. In the DPPH scavenging assay, the IC50 value for the extract was determined to be 19.44 ± 0.04 μg/mL, comparable to standard antioxidants like BHA, BHT, ascorbic acid, and α-tocopherol. Regarding anti-inflammatory activity, the extract demonstrated a notably lower IC50 value compared to both diclofenac and ketoprofen, with values of 35.73 µg/mL, 63.78 µg/mL, and 164.79 µg/mL, respectively. Cytotoxicity analysis revealed significant cytotoxicity of the A. arpilobus extract, with an LC50 value of 28.84 µg/mL, which exceeded that of potassium dichromate (15.73 µg/mL), indicating its potential as a safer alternative for various applications. Molecular docking studies have highlighted chrysin as a promising COX-2 inhibitor, with favorable binding energies and interactions. Molecular dynamic simulations further support chrysin's potential, showing stable interactions with COX-2, comparable to the reference ligand S58. Overall, the study underscores the pharmacological potential of A. arpilobus extract, particularly chrysin, as a source of bioactive compounds with antioxidant and anti-inflammatory properties. Further research is warranted to elucidate the therapeutic mechanisms and clinical implications of these natural compounds. [ABSTRACT FROM AUTHOR]

Investigations into cholinesterase inhibition have received attention from researchers in recent years for the treatment of Alzheimer's disease. Cholinesterase enzymes, namely, acetylcholinesterase (AChE) and butyrylcholinesterase (BChE), hold pivotal significance in Alzheimer's disease (AD) treatment. In this study, we utilized the ethanolic extract of Astragalus crenatus followed by liquid chromatography–electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS) to separate and identify at least 21 compounds in the extract. Rosmarinic acid exhibited the highest concentration (96.675 ± 1.3 mg/g extract), succeeded by hesperidin (79.613 ± 1.2 mg/g extract), hesperetin (75.102 ± 1.4 mg/g extract), rutin (68.156 ± 1.6 mg/g extract), chlorogenic acid (67.645 ± 1.5 mg/g extract), fisetin (66.647 ± 2.3 mg/g extract), and hyperoside (63.173 ± 1.5 mg/g extract). A. crenatus extract efficiently inhibited both AChE and BChE activities in a dosage-dependent manner. Molecular docking was employed to scrutinize the anticholinesterase mechanisms of the identified phytocompounds. Notably, a network pharmacology analysis was executed for the most efficacious compound. Based on binding energies, hesperidin emerged as the most potent inhibitor against both AChE and BChE, exhibiting scores of −10.5 Kcal/mol and −9.8 Kcal/mol, respectively. Due to its dual inhibition of AChE and BChE activities, hesperidin from Astragalus crenatus holds promise for the development of novel therapeutics aimed at neurological disorders, particularly AD. [ABSTRACT FROM AUTHOR]

This study investigates the degradation kinetics of polycyclic aromatic hydrocarbons (PAHs) in contaminated soil using hydrogen peroxide (H2O2) and the Fenton process (H2O2/Fe2+). The effect of oxidant concentration and the Fenton molar ratio on PAH decomposition efficiency is examined. Results reveal that increasing H2O2 concentration above 25 mmol/samples leads to a slight increase in the rate constants for both first- and second-order reactions. The Fenton process demonstrates higher efficiency in PAH degradation compared to H2O2 alone, achieving decomposition yields ranging from 84.7% to 99.9%. pH evolution during the oxidation process influences PAH degradation, with alkaline conditions favoring lower elimination rates. Fourier-transform infrared (FTIR) spectroscopy analysis indicates significant elimination of PAHs after treatment, with both oxidants showing comparable efficacy in complete hydrocarbon degradation. The mechanisms of PAH degradation by H2O2 and the Fenton process involve hydroxyl radical formation, with the latter exhibiting greater efficiency due to Fe2+ catalysis. Gaussian process regression (GPR) modeling accurately predicts reduced concentration, with optimized ARD-Exponential kernel function demonstrating superior performance. The Improved Grey Wolf Optimizer algorithm facilitates optimization of reaction conditions, yielding a high degree of agreement between experimental and predicted values. A MATLAB 2022b interface is developed for efficient optimization and prediction of C/C0, a critical parameter in PAH degradation studies. This integrated approach offers insights into optimizing the efficiency of oxidant-based PAH remediation techniques, with potential applications in contaminated soil remediation. [ABSTRACT FROM AUTHOR]

Vacuum membrane distillation (VMD) is a compelling technique for desalinating water because it exhibits superior pure water permeability at lower operating temperatures compared to other membrane distillation technologies. This leads to reduced energy consumption, lower heat loss via conduction across the membrane surface, and minimal heat transfer through conduction due to the low pressure on the permeate side. Detailed modelling of heat and mass transfer in VMD is essential for optimizing the process as it provides valuable insights that contribute to the advancement and successful implementation of seawater desalination using VMD technology. The aim of this study is to establish a comprehensive numerical model that describes the water vapor transfer across a hydrophobic micro-porous membrane in single-stage and multi-stage VMD processes for seawater desalination. The numerical predictions were compared to experimental data in addition to numerical computations based on an existing literature database, and good agreement has been found. The investigation also conducted a sensitivity analysis of process variables and membrane specifications on the VMD performance, as well as an assessment of the impact of temperature and concentration polarization. The obtained results showed that the permeation flux reached 18.42 kg/m2·h at 35 g/L feed concentration, 65 °C feed temperature, 50 L/h feed flow rate, and 3 kPa vacuum pressure. Moreover, the findings revealed that the feed temperature was the most significant factor, while the feed flow rate was the least important in determining the permeation flux. Additionally, the findings suggested that the effectiveness of the VMD process heavily relies on the composition and permeability of the support materials. Finally, the results confirmed that temperature polarization had a more significant effect on the reduction of the permeate flux than the concentration polarization. [ABSTRACT FROM AUTHOR]

This study aimed to investigate the chemical composition and antidiabetic properties of cultivated Hyoscyamus albus L. The ethanol extract was analyzed using LC-MS/MS, and 18 distinct phenolic compounds were identified. Among these, p-coumaric acid (6656.8 ± 3.4 µg/g), gallic acid (6516 ± 1.7 µg/g), luteolin (6251.9 ± 1.3 µg/g), apigenin (6209.9 ± 1.1 µg/g), and rutin (5213.9 ± 1.3 µg/g) were identified as the most abundant polyphenolic molecules. In the in vitro antidiabetic experiment, the ability of the plant extract to inhibit α-glucosidase and α-amylase activities was examined. The results indicated that the extract from H. albus L. exhibited a higher inhibitory effect on α-amylase compared to α-glucosidase, with an IC50 of 146.63 ± 1.1 µg/mL and 270.43 ± 1.1 µg/mL, respectively. Docking simulations revealed that luteolin, fisetin, and rutin exhibited the most promising inhibitory activity against both enzymes, as indicated by their high contrasting inhibition scores. To further investigate the in vivo antidiabetic effects of H. albus L., an experiment was conducted using STZ-induced diabetic mice. The results demonstrated that the plant extract effectively reduced the levels of cholesterol and triglycerides. These findings suggest that H. albus L. may have therapeutic potential for managing hyperlipidemia, a common complication associated with diabetes. This highlights its potential as a natural remedy for diabetes and related conditions. [ABSTRACT FROM AUTHOR]

The Astragalus armatus Willd. plant's phenolic constituent extraction and identification were optimized using the ultrasound-assisted extraction (UAE) method and the LC–MS/MS analysis, respectively. Additionally, cupric reducing antioxidant capacity (CUPRAC), beta carotene, reducing power, DMSO alcalin, silver nanoparticle (SNP)-based method, phenanthroline, and hydroxyl radical tests were utilized to assess the extract's antioxidant capacity, while the neuroprotective effect was examined in vitro against acetylcholinesterase enzyme. This study accurately estimated the chemical bonding between the identified phenolic molecules derived from LC–MS/MS and the AChE. The extract was found to contain sixteen phenolic substances, and rosmarinic, protocatechuic, and chlorogenic acids, as well as 4-hydroxybenzoic, hyperoside, and hesperidin, were the most abundant substances in the extract. In all antioxidant experiments, the plant extract demonstrated strong antioxidant activity and a significant inhibitory impact against AChE (40.25 ± 1.41 μg/mL). According to molecular docking affinity to the enzyme AChE, the top-five molecules were found to be luteolin, quercetin, naringenin, rosmarinic acid, and kaempferol. Furthermore, these tested polyphenols satisfy the essential requirements for drug-like characteristics and Lipinski's rule of five. These results highlight the significance of the A. armatus plant in cosmetics, as food additives, and in the pharmaceutical industry due to its rosmarinic and chlorogenic acid content. [ABSTRACT FROM AUTHOR]

The objective of the present paper is to study and evaluate the effect of selenium supplementation on diabetic nephropathy caused by reactive species generated following hyperglycemia. This study conducted on thirty-five male albino Wistar rats divided into five groups: the first group serves as control (C), the second group was treated by intraperitoneal injection of selenium (sodium selenite) at 1.89 mg/kg / day, regarding the 3rd groups diabetes was induced by intraperitoneal injection of 150 mg/kg of alloxan (single dose) (DM). One of the diabetic groups was treated by intraperitoneal injection of insulin, 3 IU/100 g PC twice a day (DTins). Another diabetic group is treated with 1.89 mg/kg/day of sodium selenite intraperitoneally (DTSe), and this for 21 days (the two groups treated with selenium were previously treated by gavage of 2 mg/kg/day for 10 days by the same trace element). The results showed in untreated diabetic rats, a drop in body weight, and an increase in blood glucose (13.87mmol/L ± 0.62), urea (10.58 mmol/l ± 0.59), creatinine (64 µmol/l ± 1.3), and phosphorus (1.8 mmol/l ± 0.2). A decrease in serum calcium (1.9 mmol/l±0.1), total protein (58g/l ± 5), albumin (32 g/l ± 3), insulin (0.64 µ UI/ml ± 0.06) and enzymatic activity of serum G6PDH (109.8 m UI/10GR ± 3). With a decrease in anti-oxidant defense, which results in a reduced renal tissue content in GSH (55 nmol/mg of proteins ± 2.2) and of GPx (0.198 µmol/mg of P ± 0.007) and catalase (14.64 µmol H2O2/mn/mg of P ± 0.8) activities. Meanwhile an increase activity of GSTs (0.791 nmol/mn/mg of P ± 0.03) and the concentration of TBARS (0.382 nmol/mg of P ± 0.02) were observed. Sodium selenite induced the antioxidant defense of renal tissue, which protected it from the free radical damage that can be caused by the injection of Alloxan. [ABSTRACT FROM AUTHOR]

The extraction of olive oil produces an enormous quantity of waste, such as olive mill wastewater (OMWW) and olive mill pomace (OMP), The majority of the agricultural wastes, including olive oil mill waste, are used as soil amendments due to their high nutritional value. The purpose of this study was to investigate the effects of the amendment with olive mill pomace from a 3-phase coldpressed system on the characteristics of the soil pH, electrical conductivity (EC), and organic matter content (OM). The experiment was carried out using increasing rates of olive mill pomace (12.5%, 25%, 50%, 75%, and 100% w/w) plus the control untreated soil in microcosms under laboratory conditions. The results showed that the treatment of soil with olive mill pomace has a significant effect on soil properties (pH, EC, OM, OC, and CaCO3) soil pH was decreased under OMP treatment, especially with high doses of PR4 and PR5, and the electrical conductivity of the soil (EC) was increased, as well as soil carbonate content. Moreover, the soil organic matter content and soil organic carbon content were highly increased under the treatment with OMP. As a result, we can consider the olive mill pomace as a soil fertilizer. Pretreatment of olive mill pomace to reduce acidic pH and salt content before use as a soil amendment is also recommended. [ABSTRACT FROM AUTHOR]

Plant-derived compounds have recently been gaining popularity as skincare factors due to their ability to absorb ultraviolet radiations and their anti-inflammatory, and antioxidant properties. In this light, this work aimed to evaluate in vitro the pharmacological activities of the butanolic extract prepared from the aerial parts of Astragalus gombiformis Pomel, an endemic species to southern Algeria. The sun protection factor was used to assess the photoprotective effect (SPF), the protein denaturation method to determine the anti-inflammatory activity, and brine shrimp nauplii and OxHLIA assay, respectively, to assess the cytotoxicity and antioxidant capacity of A. gombiformis. In addition, LC–ESI–MS analysis was employed for the characterization of the phenolic constituents of A. gombiformis. The results showed that A. gombiformis had high capacity for absorbing UV radiations with an SPF of 37.78 ± 0.85 and significant anti-inflammatory activity with a percentage inhibition of 75.38% which is close to that of diclofenac and ketoprofen. In addition, A. gombiformis was found to have effective cytotoxicity against Artemia nauplii with a DC50 value of about 44.7 µg/mL, but a weak hemolytic effect against human erythrocytes. LC–ESI–MS results detected the presence of 17 phenolic compounds with a predominance of cirsiliol, silymarin, quercitrin (quercetin-3-O-rhamnoside), and kaempferol. Taken together, these results suggest that A. gombiformis extract could be used as a skincare agent in cosmetic formulations, providing excellent antioxidant and anti-inflammatory protection, allowing the treatment of skin conditions, as well as a pharmaceutical agent with multidimensional applications. [ABSTRACT FROM AUTHOR]

Phytolacca americana L. is of great interest as a traditional additive in various folk remedies in several countries, including Turkey. We aimed to determine the chemical profile (assisted by high-Performance liquid chromatography-electrospray ionization-tandem mass apectrometry (HPLC-ESI-MS/MS) experiments of three extracts obtained by different polarity solvents viz. ethyl acetate (to extract semipolar compounds), methanol and water (to extract highly polar metabolites) from P. americana leaves. Their anti-diabetic effects were investigated in vitro by assessing their inhibition toα-amylase and α-glucosidase. Assessment of the neuroprotective potential of the three extracts was carried out against acetyl-(AChE) and butyryl-(BChE) cholinesterase enzymes. HPLC-ESI-MS/MS experiments showed a total of 17 chromatographic peaks primarily classified to six flavonoids, two saponins, and six fatty acids. Antioxidant assays revealed remarkable activity for the ethyl acetate and methanol extracts. The BChE inhibition was considerably more significant (4.08 mg galantamine equivalent (GALAE)/g) for the ethyl acetate extract, whereas the methanol extract had good inhibitory efficacy for AChE (2.05 mg GALAE/g). Through network pharmacology, the compounds' mechanism of action of targeted key gene in their associated diseases were identified. The hubb gene signal transducer and activator of transcription 3 (STAT3) and tumour necrosis factor (TNFα) where the P. americana compound's site of action in inflammation bowel disease. The results offer possibilities for the prospective application of P. americana in metabolic regulation, blood glucose control, and as a source of bioactive compounds with cholinesterase enzyme inhibitory characteristics which could be of relevance in the cosmetic or pharmaceutical industry for combating melanogenesis.Communicated by Ramaswamy H. Sarma.