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In our previous study, Schiff base (1) complexes derived from 2,3‐diaminophenazine and metal ions Co(II) (2), Ni(II) (3), Cu(II) (4), and Cd(II) (5) were synthesized and characterized, demonstrating a significant biological activity. This study investigates their anticancer potential, specifically against prostate cancer. The complexes exhibited notable reductions in cancer cell viability, with IC50 values of 0.531 μM Ni(II), 0.630 μM Cu(II), and 0.655 μM Co(II), comparable with the standard drug enzalutamide. The Co(II) complex showed the highest efficacy, while Cd(II) displayed the lowest (IC50 = 0.648 μM). The presence of a phenazine ring in these complexes enhances DNA binding, contributing to their anticancer effects. HOMO‐LUMO calculations revealed energy gaps ranging from 2.525 to 3.294 eV, indicating varying reactivity and potential for biological interactions. Molecular docking studies revealed that compound (1) exhibited the highest binding affinity (−9.19 kcal/mol) for the prostate cancer‐related receptor, with significant hydrogen bond interactions. Molecular dynamics simulations over 100 ns demonstrated stable binding, with RMSD values below 1.5 Å, and RMSF analysis provided insights into protein flexibility. ADMET studies revealed favorable drug‐like properties, including good gastrointestinal absorption (> 30%), high blood–brain barrier permeability (LogBBB = 0.64), and high human intestinal absorption (68.47%–88.79%). No inhibition of CYP2D6 was observed, suggesting low risk for drug–drug interactions. These Schiff base‐metal complexes show promising anticancer activity and favorable ADMET profiles, indicating their potential as therapeutic agents for prostate cancer treatment. [ABSTRACT FROM AUTHOR]

Background/Objectives: RNA polymerase (NS5B), serves as a crucial target for pharmaceutical interventions aimed at combating the hepatitis C virus (HCV), which poses significant health challenges worldwide. The present research endeavors to explore and implement a variety of advanced molecular modeling techniques that aim to create and identify innovative and highly effective inhibitors that specifically target the RNA polymerase enzyme. Methods: In this study, a QSAR investigation was carried out on a set of thirty-eight isothiazole derivatives targeting NS5B inhibition and thus hepatitis C virus (HCV) treatment. The research methodology made use of various statistical techniques including multiple linear regression (MLR) and artificial neural networks (ANNs) to develop satisfactory models in terms of internal and external validation parameters, indicating their reliability in predicting the activity of new inhibitors. Accordingly, a series of potent NS5B inhibitors is designed, and their inhibitory potential is confirmed through molecular docking simulations. Results: These simulations showed that the interactions between these inhibitors and the active site 221 binding pocket of the NS5B protein are hydrophobic and hydrogen bond interactions, as well as carbon–hydrogen bonds and electrostatic interactions. Additionally, these newly formulated compounds displayed favorable ADMET characteristics, with molecular dynamics investigations revealing a stable energetic state and dynamic equilibrium. Conclusions: Our work highlights the importance of NS5B inhibition for the treatment of HCV. [ABSTRACT FROM AUTHOR]

The aim of this paper is to determine the structure of a post irradiated polymer aqueous solution in semi-dilute regime concentration. The neutral polymer, polyvinylpyrrolidone of molar mass Mw = 1.300.000 g/mol was treated by γ-irradiation with different doses ranged from 0.8 to 50 kGy. The post irradiated polymer, PVP*, is dissolved in water and viscosity measurements are performed at 25 °C. The Mark–Houwink–Sakurada and the Flory exponents, are deduced and solvent qualities are determined. An extension of the blob model theory is reported and correspondent structural parameters are defined. For all the used doses the structure of the solution are determined and discussed. The relative variation of the correlation length,τ [ξ ∗ (D)], versus the received dose by the polymer. [ABSTRACT FROM AUTHOR]

AbstractCasein kinase 2 (CK2) is an ubiquitous, essential, and highly pleiotropic protein kinase whose abnormally high constitutive activity is suspected to underlie its pathogenic potential in neoplasia and other diseases. Recently, there has been a notable increase in interest in the use of casein kinase 2 (CK2) inhibitors to improve the treatment of a specific form of cancer while minimizing the risk of undesirable side effects. Recently, using different virtual screening approaches, we have identified several novel CK2 inhibitors. In particular, we have discovered that the coumarin moiety can be considered an attractive CK2 inhibitor scaffold. In the present work, quantitative structure-activity relationship (QSAR) analysis has been employed to envisage the inhibitory effects of 32 coumarin derivatives on the CK2 protein. The most efficient model is found by using multiple linear regression (MLR). Its capability is considered by the external and internal validation values found (R2 = 0.884, Q2cv = 0.822, R2pred = 0.821, and R2p = 0.811), which aligned well with Tropsha and Golbraikh’s approach. The highest docking score founded for the newly designed coumarins is −7.50 kcal mol-1, which indicates that candidates can bind to the CK2 receptor with greater affinity. Based on the results of the ADMET properties and drug similarity analyses, a DFT investigation was conducted to confirm the stability of the newly explored compounds. It appears that the most stable complexes are those of compound with the highest binding affinity with a lower risk of toxicité. [ABSTRACT FROM AUTHOR]

Ischemic heart diseases and cardiomyopathies are characterized by hypoxia, energy starvation and mitochondrial dysfunction. HIF-1 acts as a cellular oxygen sensor, tuning the balance of metabolic and oxidative stress pathways to provide ATP and sustain cell survival. Acting on mitochondria, HIF-1 regulates different processes such as energy substrate utilization, oxidative phosphorylation and mitochondrial dynamics. In turn, mitochondrial homeostasis modifications impact HIF-1 activity. This underlies that HIF-1 and mitochondria are tightly interconnected to maintain cell homeostasis. Despite many evidences linking HIF-1 and mitochondria, the mechanistic insights are far from being understood, particularly in the context of cardiac diseases. Here, we explore the current understanding of how HIF-1, reactive oxygen species and cell metabolism are interconnected, with a specific focus on mitochondrial function and dynamics. We also discuss the divergent roles of HIF in acute and chronic cardiac diseases in order to highlight that HIF-1, mitochondria and oxidative stress interaction deserves to be deeply investigated. While the strategies aiming at stabilizing HIF-1 have provided beneficial effects in acute ischemic injury, some deleterious effects were observed during prolonged HIF-1 activation. Thus, deciphering the link between HIF-1 and mitochondria will help to optimize HIF-1 modulation and provide new therapeutic perspectives for the treatment of cardiovascular pathologies. [Display omitted] • Interplay between HIF-1 mitochondria and ROS stand at the forefront of cardiac diseases. • Depending on the hypoxic stress, HIF-1 deciphers a paradoxical response that deserves to be deeply investigated. • "HIF-1 and mitochondria" crosstalk exploration will open new avenues to understand cardiac diseases • Exploration of the "HIF-1-mitochondria" crosstalk will open new avenues to propose new therapeutic strategies. [ABSTRACT FROM AUTHOR]

Containment of hazardous waste is one of the methods that can be used today for its disposal worldwide, especially in landfills. In order to preserve groundwater, landfills are constructed on a natural or reconstituted clay layer of low permeability, known as a passive safety barrier. This paper presents an experimental laboratory study that aims to upgrade local materials for use as a passive barrier in the bottoms of hazardous waste storage facilities (HWSCs). The basic materials are clays from the Adrar region in southern Algeria. An experimental study based on physical-chemical characterization and mechanical tests was performed on 2 samples of clayey soils (AA, Adrar clay, and AB, Bouda clay). Physico-chemical and mechanical characterization of Adrar clay (AA) mixtures with lime was conducted to minimize swelling and improve the studied soil. The permeability criterion allowed the adoption of an optimal mixture of Adrar clay + 6 % lime for a permeability lower than 10-12 m/s. [ABSTRACT FROM AUTHOR]

This study aims to provide insights into the adoption process of new irrigation technologies within a rural community situated in the Mitidja Plain, Algeria. The study employs the stated (direct) preferences approach to explain the various obstacles and motivations faced by irrigators when considering the adoption of water-saving irrigation techniques. A representative sample of 136 farms (29%) was selected through a random sampling procedure, and a structured questionnaire was specifically designed for data collection. The findings highlight the significance of the direct preferences approach in validating critical factors that influence the non-adoption of water-saving technologies. Credit constraints, limited access to subsidies, high investment and information costs, and complexities related to land tenure emerged as the primary reasons hindering the adoption process. Besides, the study reinforces econometric conclusions by demonstrating that resource costs play a pivotal role in motivating farmers to embrace resource-conserving technologies. This study provides essential insights to support irrigated perimeter managers in successfully implementing projects for the adoption of new irrigation technologies among farmers. [ABSTRACT FROM AUTHOR]

Numerous approaches and methodologies have been established for online (while the load is supplied) estimation of the State-of-Charge of Lithium-ion cells and batteries. However, as battery load consumption fluctuates in real time because of delivered device operations, obtaining a precise online state of charge estimation remains a challenging task. This work proposes a new technique for online open circuit voltage measurement to estimate state of charge of batteries. This novel technique proposes the addition of an auxiliary regulated load that may be utilized to temporarily force specifically defined forms of the battery's current curve under particular conditions, which results in improving and simplifying online open circuit voltage computations. The effectiveness of the proposed technique was successfully validated through several experimental tests. The acquired findings demonstrated its efficiency with an acceptable online state of charge estimation accuracy. Typically, an estimation error of less than 2% was recorded in most tests, while the error was less than 1% when the battery's state of charge was high. [ABSTRACT FROM AUTHOR]

Huperzine A (HUP) plays a crucial role in Alzheimer's therapy by enhancing cognitive function through increased cholinergic activity as a reversible acetylcholinesterase (AChE) inhibitor. Despite some limitations being seen in AChE inhibitors, ongoing research remains dedicated to finding innovative and more effective treatments for Alzheimer's disease. To achieve the goal of the discovery of potential HUP analogues with improved physicochemical properties, less toxic properties, and high biological activity, many in silico methods were applied. Based on the acetylcholinesterase–ligand complex, an e-pharmacophore model was developed. Subsequently, a virtual screening involving a collection of 1762 natural compounds, sourced from the PubChem database, was performed. This screening yielded 131 compounds that exhibited compatibility with the established pharmacophoric hypothesis. These selected ligands were then subjected to molecular docking within the active site of the 4EY5 receptor. As a result, we identified four compounds that displayed remarkable docking scores and exhibited low free binding energy to the target. These top four compounds, CID_162895946, CID_44461278, CID_44285285, and CID_81108419, were submitted to ADMET prediction and molecular dynamic simulations, yielding encouraging findings in terms of their pharmacokinetic characteristics and stability. Finally, the molecular dynamic simulation, cross-dynamic correlation matrix, free energy landscape, and MM-PBSA calculations demonstrated that two ligands from the selected ligands formed very resilient complexes with the enzyme acetylcholinesterase, with significant binding affinity. Therefore, these two compounds are recommended for further experimental research as possible (AChE) inhibitors. [ABSTRACT FROM AUTHOR]

Due to its significant role in neurodegeneration, Cyclin‐dependent kinase 5 (CDK5) has emerged as a potential target for addressing neuropathological disorders, including Alzheimer's disease (AD). The application of CDK5 inhibitors has demonstrated promise in the treatment of AD. This prompted us to model this interesting target using a computational workflow named Docking‐based Comparative Intermolecular Contacts Analysis (dbCICA). Approaches including 3D‐QSAR, genetic algorithm, and pharmacophore modeling were employed to discover new CDK inhibitors. [ABSTRACT FROM AUTHOR]

In this investigation, we undertook a comprehensive quantitative structure-activity relationship (QSAR) analysis using both modern artificial neural network (ANN) methods and classical multiple linear regression methods (MLR). Our primary focus was on revealing the intricate connection between antidiabetic activity and the molecular structure of thirty-nine imidazolidine-2,4-dione derivatives. The B3LYP hybrid functional and 6-31G (d) basis set computed electronic properties at the quantum level. Rigorous benchmarking against experimental data validated the reliability of our quantum theory approach. Our statistical model effectively predicted activities closely aligned with experimental antidiabetic activities, quantified by the IC50 values. They also revealed a significant superiority of the ANN architecture (6-4-1) over the MLR method. This study stands as a meaningful contribution to the field, providing valuable insights for designing new antidiabetic drugs, particularly as potential inhibitors of tyrosine phosphate 1B (PTP1B). The explicit articulation of our primary aim and emphasis on the study's significance underscore its potential impact on advancing drug development within the realm of antidiabetic therapeutics. [ABSTRACT FROM AUTHOR]

For many years, research has been carried out with the aim of understanding the mechanism of auxin action, its biosynthesis, catabolism, perception, and transport. One central interest is the auxin-dependent gene expression regulation mechanism involving AUXIN RESPONSE FACTOR (ARF) transcription factors and their repressors, the AUXIN/INDOLE-3-ACETIC ACID (Aux/IAA) proteins. Numerous studies have been focused on MONOPTEROS (MP)/ARF5, an activator of auxin-dependent gene expression with a crucial impact on plant development. This review summarizes over 30 years of research on MP/ARF5. We indicate the available analytical tools to study MP/ARF5 and point out the known mechanism of MP/ARF5-dependent regulation of gene expression during various developmental processes, namely embryogenesis, leaf formation, vascularization, and shoot and root meristem formation. However, many questions remain about the auxin dose-dependent regulation of gene transcription by MP/ARF5 and its isoforms in plant cells, the composition of the MP/ARF5 protein complex, and, finally, all the genes under its direct control. In addition, information on post-translational modifications of MP/ARF5 protein is marginal, and knowledge about their consequences on MP/ARF5 function is limited. Moreover, the epigenetic factors and other regulators that act upstream of MP/ARF5 are poorly understood. Their identification will be a challenge in the coming years. [ABSTRACT FROM AUTHOR]

Simple Summary: Stereotactic radiotherapy (SRT) is becoming increasingly important in managing metastatic non-small-cell lung cancer (mNSCLC). However, the optimal timing of SRT in relation to systemic treatment remains unclear. Herein, we aimed to determine whether waiting response evaluation to first-line systemic therapy (FLST) before considering local SRT treatment could exclude poorer prognosis progressive tumor that may not benefit from SRT. We compared survival data for 50 patients locally treated before or within 90 days of initiating FLST (early SRT), with 49 patients treated at least 90 days after initiating FLST (late SRT). In patients receiving conventional chemotherapy, late SRT resulted in significantly better survival outcomes compared to early SRT. For patients receiving an immune checkpoint inhibitor (ICI), there was no difference between late and early SRT. These results suggest that delaying SRT treatment may be less necessary when ICI is administered in mNSCLC Stereotactic radiotherapy (SRT) is gaining increasing importance in metastatic non-small-cell lung cancer (mNSCLC) management. The optimal sequence of tumor irradiation relative to systemic treatment remains unclear. If waiting response evaluation to first-line systemic therapy (FLST) before considering local treatment may allow for the exclusion of poorer prognosis progressive tumors that may not benefit from SRT, performing irradiation near immune check point inhibitor (ICI) first administration seems to improve their synergic effect. Herein, we aimed to determine whether delaying SRT after response evaluation to FLST would result in better prognosis. We compared overall survival (OS), progression-free survival (PFS), and time to first subsequent therapy (TFST) for 50 patients locally treated before or within 90 days of initiating FLST (early SRT), with 49 patients treated at least 90 days after initiating FLST (late SRT). Patients treated with conventional chemotherapy alone exhibited significantly poorer median OS, PFS, and TFST in the early SRT arm: (in months) 16.5 [8.33-NR] vs. 58.3 [35.05-NR] (p = 0.0015); 4.69 [3.57–8.98] vs. 8.20 [6.66–12.00] (p = 0.017); and 6.26 [4.82–11.8] vs. 10.0 [7.44–21.8] (p = 0.0074), respectively. Patient receiving ICI showed no difference in OS (NR [25.2-NR] vs. 36.6 [35.1-NR], p = 0.79), PFS (7.54 [6.23-NR] vs. 4.07 [2.52-NR], p = 0.19), and TFST (13.7 [9.48-NR] vs. 10.3 [3.54-NR], p = 0.49). These results suggest that delaying SRT treatment in order to filter a rapidly growing tumor may be less necessary when ICI is administered in mNSCLC. [ABSTRACT FROM AUTHOR]

In this paper, we aim to study some algebraic properties of generalized bicomplex numben We also give the definitions of the generalized bicomplex polynomial. generalized bicomplex exponential function and generalized bicomplex cosine and sine function in order to establish our subsequent study. [ABSTRACT FROM AUTHOR]

Quantitative structure-activity relationship study was used to investigate the relationship between anti-pfdhfr activity and structure of twenty-eight 1,3,5-triazine derivatives. We performed benchmark studies on the molecular geometry, electron properties of 1,3,5-triazine using semi-empirical(PM3), density functional theory and post Hartree-Fock methods. Followed by a QSAR study using multiple linear regression (MLR) and artificial neural networks (ANN). The QSAR models developed allow identify/describe the relationship between the biological activity of the molecules and their molecular descriptors (topological, physicochemical, electronic...). A further external set of compounds was used for validation where a high correlation between experimental and predicted anti-pfdhfr activity values is noticed. This QSAR study provides useful information for developing novel pfdhfr inhibitors. The set's ADME properties and drug similarities, as well as newly produced compounds and reference ligand, were investigated. These findings would be extremely useful in guiding optimization for the development of new anti-pfdhfr drug candidates. [ABSTRACT FROM AUTHOR]

Adsorption and photocatalytic decolourisation of AR14 in aqueous solution was investigated using α-Fe2O3, α-Fe2O3/S and α-Fe2O3/CdS in dark and under UV irradiation, respectively. The synthesis of alpha iron oxide nanoparticles and combining heteroatoms in its matrix were performed by a simple co-precipitation method. Samples were characterised by XRD, Raman and pHPZC. The dye adsorption on the catalysts' surfaces showed a strong dependence on the pH, and the adsorption played the main role in the photocatalytic reaction in acidic medium. The pseudo first order kinetic model was found to be the best fit for the adsorption of AR14 by the three catalysts (R2 > 0.99) and is in good agreement with a chemisorption mechanism. The plot of intra-particle diffusion model showed a three-stage adsorption process which suggests that more than one process affects the AR14 adsorption. α-Fe2O3/S and α-Fe2O3/CdS nanoparticles had significant enhancement on the decolourisation of AR14 compared to the bulk material. A rate removal of 78%, 94% and 98% of the AR14 was recorded at pH = 3 under UV irradiation for α-Fe2O3, α-Fe2O3/S and α-Fe2O3/CdS respectively. The decolourisation was strongly enhanced in the presence of H2O2 leading to Fenton-like process. Added H2O2 competes with AR14 for the powder surface sites and reduces its adsorption on the catalysts' surfaces. The addition of propanol-2 as a radical scavenger confirms that •OH radicals are the main species responsible for the decolourisation of AR14 inα-Fe2O3/H2O2 system. Fenton-like process provides more selective oxidation for AR14 that have a higher affinity for the iron oxide surface and also for the modified iron oxide surface. [ABSTRACT FROM AUTHOR]

This work aims to report the effects of loading the cobalt oxide with noble metals in toluene oxidation. Cobalt oxide is obtained through a nanocasting route using a siliceous SBA-15 mesoporous material as a hard template where 1 Au and/or 1% Pd were deposited on cobalt oxide. Samples were characterized by means: Inductively Coupled Plasma, temperature programmed reduction (H2-TPR), X-ray diffraction, N2 adsorption–desorption measurements, transmission electron microscopy and differential thermal analysis. The activities of all synthesized catalysts have been evaluated in the total oxidation of toluene where we have obtained as products only CO2 and H2O at low temperature. The activities are in the following order: Pd-Au/Co3O4 > Co3O4 > Pd/ Co3O4 > Au-Pd/ Co3O4 > Au/ Co3O4, where the excellent catalytic activities showed by the Pd-Au/ Co3O4 catalyst could be attributed to the synergy effect between Pd and Au correlated to core–shell structure in which palladium is dispersed over gold. [ABSTRACT FROM AUTHOR]

Dysregulated brain-derived neurotrophic factor (BDNF)/tropomyosin receptor kinase B (TrkB) signalling is implicated in several neurodegenerative diseases, including Alzheimer's disease. A failure of neurotrophic support may participate in neurodegenerative mechanisms, such as ferroptosis, which has likewise been implicated in this disease class. The current study investigated whether modulators of TrkB signalling affect ferroptosis. Cell viability, C11 BODIPY, and cell-free oxidation assays were used to observe the impact of TrkB modulators, and an immunoblot assay was used to detect TrkB expression. TrkB modulators such as agonist BDNF, antagonist ANA-12, and inhibitor K252a did not affect RSL3-induced ferroptosis sensitivity in primary cortical neurons expressing detectable TrkB receptors. Several other modulators of the TrkB receptor, including agonist 7,8-DHF, activator phenelzine sulphate, and inhibitor GNF-5837, conferred protection against a range of ferroptosis inducers in several immortalised neuronal and non-neuronal cell lines, such as N27 and HT-1080 cells. We found these immortalised cell lines lack detectable TrkB receptor expression, so the anti-ferroptotic activity of these TrkB modulators was most likely due to their inherent radical-trapping antioxidant properties, which should be considered when interpreting their experimental findings. These modulators or their variants could be potential anti-ferroptotic therapeutics for various diseases. [ABSTRACT FROM AUTHOR]

The development of farnesyltransferase inhibitors based on the benzophenone scaffold directed against Plasmodium falciparum is considered a strategy in malaria treatment. In this work, quantitative structure–activity relationship (QSAR) was performed to predict the protein farnesyltransferase (PFT) inhibitory activities for a series of 36 benzophenone derivatives. The data set was divided into two subsets of training and test sets, and the best model using multiple linear regression (MLR), with the values of internal and external validity (R² = 0.884, R² adj = 0.865, R²pred = 0.821, Q² cv =0.822 and R²p=0.811) was found in agreement with the Tropsha and Golbraikh criteria. The applicability domain (AD) was determined using the Williams plot to describe the chemical space for the model used in this study. The model shows that antimalarial activities of benzophenone depend on logP, bpol, MAXDn, and FMF descriptors. These indications prompted us to design new benzophenones PFT inhibitors and predict the value of their anti-malarial activities based on the MLR equation. Docking results reveal that the newly designed benzophenones bind to the hydrophobic pocket and polar contact with high affinity. The predicted results from this study can help to design novel benzophenone as inhibitors of human PFT with high antimalarial activities. [ABSTRACT FROM AUTHOR]

Background: This study has the objective to study antifungal effect of the antagonistic fungus of soil named Trichoderma harzianum on mycelial growth of twenty isolates of Fusarium oxysporum f. sp. albedinis (Foa), agent of the bayoud disease on the date palm, originated from south western region of Algeria. Methods: Twenty Foa isolates obtained from isolation of the spines carrying the typical symptoms of Bayoud disease were used. The strain of T. harzianum was isolated from rhizosphere soils of the date palm trees. The in vitro test affected by two tests of confrontation, direct which is dual confrontation and indirect confrontation by volatiles substances, on mycelial growth. Result: A statistical analysis showed a significant difference (P<0.05), of Foa isolates reaction against the antagonistic fungus T. harzianumin the test realized. The results of in vitro test showed a significant effect (P<0.05), on mycelial growth in both tests used. The inhibition rate (IR) of mycelial growth of Foa by T. harzianum varies between 28.42 and 59.12%, with 12 Foa isolates showed IR, more than 50% in the direct test and between 3.3 and 56% with just three (3) isolates have IR more than 50% in the indirect test by volatile substances. Based on these encorageous results, we can apply of this antagonistic fungus to protect our groves contaminated by Bayoud disease and also contain this susceptible commercial variety. [ABSTRACT FROM AUTHOR]

The discovery of antibacterials is considered one of the greatest medical achievements of all time. In this work, a combination of three computational analyzes: 3D-QSAR, molecular docking and ADME evaluation were applied in thienopyrimidine derivatives intended toward gram-positive bacterium Staphylococcus aureus. The validity of 3D-QSAR model was tested with a set of data which is divided into a training and a test set. The two models constructed (CoMFA and CoMSIA) show good statistical reliability (q² = 0.758; r² = 0.96; r2pred = 0.783) and (q² = 0.744; r² = 0.97; r2pred = 0.625) respectively. In addition, docking methods were applied to understand the structural features responsible for the affinity of the ligands in the binding of S. aureus DNA gyrase. Drug likeness and ADME analysis applied in this series of new proposed compounds, have shown that the five lead molecules would have the potential to be effective drugs and could be used as a starting point for designing compounds against Staphylococcus aureus. [ABSTRACT FROM AUTHOR]

This work has the objective to study the antagonistic capacity of three bacterial species (Bacillus subtilus, B. amyloliquefasciens, and Pseudomonas plecoglossicida), on mycelia growth of 20 isolates of Fusarium oxysporum f. sp. Albedinis (Foa), the causal agent of bayoud disease on date palm. We tested the inhibition of mycelial growth by dual confrontation method using these three bacteria species. A significant effect (P<0,05) of these microorganisms was observed on mycelial growth of 20 isolates of Foa, with the inhibition rates varied between 28,05 and 64,2%. The confirmation of this inhibition was observed by creation of inhibition zones in the Foa colonies confronted by these bacteria. The obtained results lead us to think about the possibility to apply these bacterial species as biofungicide in the control of Bayoud disease in our contaminated groves and can be considerate as another alternative fungicide in the efficient integrated disease management strategy. [ABSTRACT FROM AUTHOR]

Alzheimer's disease (AD) is the most prevalent form of dementia, with complex pathophysiology that is not fully understood. While β‐amyloid plaque and neurofibrillary tangles define the pathology of the disease, the mechanism of neurodegeneration is uncertain. Ferroptosis is an iron‐mediated programmed cell death mechanism characterised by phospholipid peroxidation that has been observed in clinical AD samples. This review will outline the growing molecular and clinical evidence implicating ferroptosis in the pathogenesis of AD, with implications for disease‐modifying therapies. [ABSTRACT FROM AUTHOR]

Electronic structures, the effect of the substitution, structure physicochemical property/activity relationships and drug-likeness applied in pyrazine derivatives, have been studied at ab initio (HF, MP2) and B3LYP/DFT (density functional theory) levels. In the paper, the calculated values, i.e., NBO (natural bond orbitals) charges, bond lengths, dipole moments, electron affinities, heats of formation and quantitative structure-activity relationships (QSAR) properties are presented. For the QSAR studies, we used multiple linear regression (MLR) and artificial neural network (ANN) statistical modeling. The results show a high correlation between experimental and predicted activity values, indicating the validation and the good quality of the derived QSAR models. In addition, statistical analysis reveals that the ANN technique with (9-4-1) architecture is more significant than the MLR model. The virtual screening based on the molecular similarity method and applicability domain of QSAR allowed the discovery of novel anti-proliferative activity candidates with improved activity. [ABSTRACT FROM AUTHOR]

Convective heat transfer through a large aperture has been studied theoretically and experimentally using reduced scale models for many years. This paper describes the effect of the width of a large opening on the convective heat flow in an enclosure for 5.6108 < (Ra) < 2.81010. In our case a full scale realistic calorimetric chamber (5.5m x 2.5m x 2.5m) was used in this study. This chamber contains two zones connected by a large aperture of height H. A hot and cold wall on each side of the aperture will create a temperature difference between the two zones. Empirical equations are expressed in terms of varying door aspect ratio..., at various temperature differences between the two zones. It was clearly found that as the width decreases the convective flux increases substantially. The instability of the air flow due to the apparition of a small turbulence increased when the opening width gets larger. It was also noticed that the neutral axis (air velocity = 0) goes up when the width of the opening decreases resulting in an acceleration of the air flow above the neutral axis. The liability of these experimental results could be useful for the validation of simulation models. [ABSTRACT FROM AUTHOR]

In this paper, the initial and maximum load was studied using the Finite Element Modeling (FEM) analysis during impact testing (CVN) of pipeline X70 steel. The Gurson-Tvergaard-Needleman (GTN) constitutive model has been used to simulate the growth of voids during deformation of pipeline steel at different temperatures. FEM simulations results used to study the sensitivity of the initial and maximum load with GTN parameters values proposed and the variation of temperatures. Finally, the applied artificial neural network (ANN) is used to predict the initial and maximum load for a given set of damage parameters X70 steel at different temperatures, based on the results obtained, the neural network is able to provide a satisfactory approximation of the load initiation and load maximum in impact testing of X70 Steel. [ABSTRACT FROM AUTHOR]

Background: This work has the objective to biocontrol the bayoud disease of date palm caused by the fungus Fusarium oxysporum f. sp. albedinis (Foa), is the major disease in Algerian palm groves of south western region. This in vivo biocontrol was done on date palm variety Deglet-Nour, using two antagonistic fungi species, Trichoderma harzianum and Aspergillus flavus. Methods: Twenty Foa isolates obtained from isolation of the spines carrying the typical symptoms of Bayoud disease were used. Two strains T. harzianum and A. flavus, were isolated from rhizosphere soils of the date palm trees. Using the greenhouse screening test, which was carried out on 3-4 month-old date palm seedlings at the rate of 5 ml of inoculum suspension. Result: A statistical analysis showed a significant (P<0.05), difference of Deglet-Nour seedlings reactions against Foa isolates and antagonistic fungi were observed. All date palm trees present susceptibility against Foa until the total mortality of seedlings. The biocontrol test showed that two antagonists showed different reaction, with the complete resistance for seedlings treated by T. harzianum with the mortality rate (rm%) reduced at 100%, while, the second antagonist A. flavus reduced the rm% at 25%. We can apply of these antagonistic fungi to protect our groves contaminated by Bayoud disease and also contain this susceptible commercial variety. [ABSTRACT FROM AUTHOR]

The deficit in cholinergic neurotransmission is the main incentives for the development of new therapeutic drugs for the treatment of Alzheimer's disease (AD). In this study, we employed cheminformatics tools to explore new molecules that can serve as effective therapeutic agents against AD. Artificial neural networks (ANNs) were applied in a quantitative structure anti‐acetylcholinesterase (AChE)‐activity relationship study on a series of AChE inhibitors (AChEIs). The best computational neural network had an [5‐10‐12‐1] architecture, with a low value of mean squared error (MSE = 0.06) and a high value of R2 (0.96). All validations showed that the ANN model can be used quite satisfactorily for the screening of a new series of molecules having anti‐AChE activity. The virtual screening based on the molecular similarity method and applicability domain of ANN‐quantitative structure–activity relationships allowed the discovery of novel anti‐AChE candidates with improved activity. Docking simulation carried out on these novel AChEIs has identified eight best hits with a higher binding affinity toward their target (4EY7). These eight stable complexes were in good agreement with the biological activity and they have an inhibition profile at a similar rate as the reference drug donepezil. The results showed that these compounds were strongly bound up with the AChE enzyme active site with the optimal conformations. [ABSTRACT FROM AUTHOR]

Background: Faba bean (Vicia faba L.) is thirst most important grain legume in the world and the first one in Algeria. The chocolate spot disease caused by Botrytis fabae Sard (BF), is the major constraint of this culture in Algeria when caused a destructive damages. Methods: The aim of this study is to find the sources of resistance for Seven varieties of faba beans (Giza 02, Giza 40, Giza 461, Sakha 02, Sakha 03, Precoce de Seville), by using the detached leaflet inoculation test for resistance to the two isolates from BF represent two different regions of northwest Algeria (Mascara and Relizane). Result: A significant difference (P <0.05) was observed in the reaction of the varieties which manifest themselves by a different reaction vis-à-vis the isolates of BF. Total sensitivity was observed in the four (4) varieties Giza02, Sakha01, Sakha02 and Sakha03, two (2) varieties (Giza40 and Ziban), are tolerant, while the variety named 'Precoce de Seville' showed significant resistance to both isolates from BF. These results showed a similar pathogenic behavior of two isolates of BF and variability in the level of reactions of the varieties of beans. The variety 'Precoce de Seville' showed promising results to be valued and cultivated in order to reduce the damage caused by this disease and reduce the use of chemicals. [ABSTRACT FROM AUTHOR]

With the advent of new concrete such as low-impact environmental concrete, and the new implementation techniques of cementitious materials such as 3D printing and pumping, it becomes crucial to control the rheological behaviour of these materials taking into account the different climatic conditions. The main objective of this study is to investigate the influence of mineral additions and temperature on the rheological parameters (yield stress, plastic viscosity) and the fresh properties (slump, flow time) of low-impact environmental concrete using concrete-equivalent mortar (CEM) concept. For this purpose, fifteen mixtures of CEM were prepared by substituting the cement with natural pozzolana (PZ) and marble powder (MP) in binary and ternary blend systems. The rheological and fresh properties of CEM mixtures were investigated at different temperatures ranging from 10 °C to 50 °C. The results obtained revealed that, the use of binary and ternary blended cements based on PZ and MP increased the fresh properties and decreased the rheological parameters of CEM tested in a standard environment of temperature 20 °C. In addition, the increase in temperature affected negatively the fresh properties and rheological parameters of all binary mixtures. However, at low temperature (10 °C), the viscosity and yield stress of ternary mixtures have been enhanced. [Display omitted] • Use of natural pozzolana (PZ) and marble powder (MP) as cement replacement in mortar is proposed. • Effect of PZ and MP on fresh properties and rheological behaviour of eco-mortars were studied. • Evaluation of the workability and rheology of eco-mortars based on binary and ternary cements • Evaluation of the temperature influence on fresh properties and rheological behaviour of eco-mortars [ABSTRACT FROM AUTHOR]

Grain legumes have an important role in Algerian agriculture contributing towards food, nutritional security and sustainable farming systems. This kind of culture has a several diseases can reduce the global production and yield. Causes of these major diseases we have to propose the integrated disease management for minimize the damage caused by these diseases. The term Integrated Pest Management was first based on the concept of 'integrated control' given by the entomologists from University of California, who defined it as "applied pest control" which combines and integrates cultural, biological and chemical control. Chemical control was used only if necessary and in a way which was least disruptive to cultural and biological control. [ABSTRACT FROM AUTHOR]

The instability of CH3NH3PbI3 perovskite hybrid organic–inorganic films is a serious problem, which might be a drawback for their use in solar energy conversion. In this work, we have evaluated the degradation of the perovskite films and studied the influence of film morphology on their degradation. CH3NH3PbI3 perovskite thin films were deposited on glass substrates by a spin coating technique at different centrifugation speeds using different solvents. This study aims to determine the films' properties that may control the degradation process. This study was based on the comparison between the characteristics determined from XRD analysis and optical transmittance of freshly deposited films and those aged 1 year in ambient air at room temperature and dark conditions. The degradation was manifested by the partial decomposition of the perovskite to PbI2, I2, and metallic lead. The degradation evaluation was achieved by the determination of the variation of the most intense XRD diffraction peak in the freshly prepared film and after aging. The results indicated that the degradation is very sensitive to the films' porosity and thickness. Reducing the thickness of the film or increasing the porosity enhances the degradation process. [ABSTRACT FROM AUTHOR]

In this paper, we aim to study some algebraic properties of generalized bicomplex number. We also give the definitions of the generalized bicomplex polynomial, generalized bicomplex exponential function and generalized bicomplex cosine and sine function in order to establish our subsequent study. [ABSTRACT FROM AUTHOR]

This paper deals with navigation of multi-robots system and the avoidance of static and dynamic obstacles. Hence, a hybrid multi-robots navigation strategy in crowded environment is presented by fusing the commands of centralized and decentralized coordinators. Therefore, the free-optimal path of each robot is planned by a centralized coordinator; then, it calculates the possibility of collision between the pre-planned trajectories. Consequently, the robots concerned by the collision have to take decision to avoid the collision by applying the technique of priority between robots and accomplish the execution of it task. Thus, in this case each robot is considered as a decentralized coordinator. [ABSTRACT FROM AUTHOR]

This study deals with the importance and enhancement of plant extracts on the development of phytopathogenic fungi. It was carried out to evaluate the antifungal activity of the methanolic and ethanolic extract of alanda (Ephedra alata subsp. alenda (Stapf) Trab. [1905]), originating from the arid regions collected from the saoura region on May month of 2018's year. The test was tested on mycelial growth of three Fusarium oxysporum f. sp. albedinis (Foa), strains of the causal agent of Bayoud disease on date palm (Phoenix dactylifera L.), with three different concentrations of methanolic and ethanolic extracts. The results revealed a significant (P<0.05) on mycelial growth of Foa strains. The values of the inhibition rate vary between 25,4 and 70,6% by methanolic extract effect and between 28,3 and 70,9% by ethanolic extract. In comparison between these two plant extracts, the similarity of inhibition was observed, while, between concentrations, the two concentrations 10-1 and 10-2 g / ml have important antifungal activity than the third concentration 10-3 g / ml, in all two extracts. Findings in this study confirmed that the extract of this plant can be used as natural fungicide against bayoud disease in Algerian palm groves. [ABSTRACT FROM AUTHOR]

It is a known fact that incorporating textures in the contact surfaces can significantly enhance bearing performances. The purpose of this paper is to outline the effects of texture bottom profiles and contour geometries on the performances of hydrodynamic textured journal bearings. The analysis was conducted using computational approach to test eight texture shapes: rectangular, cylindrical, spherical, triangular (TR, T1, T2, T3) and chevron. The steady-state Reynolds equation for modelling the hydrodynamic behaviour of thin viscous film was solved using finite difference technique and mass conservation algorithm (JFO boundary conditions), taking into account the presence of textures on both full film and cavitation regions. The comparison with the benchmark data shows good consistency and an enhancement in bearing performances (load carrying capacity and friction). The results clearly show that the mechanisms of wedge effect and micro-step bearing for the full/partial texturing feature are the main crucial parameters, where the convergent wedge effect present in T2 triangular texture shape can significantly enhance the load-carrying capacity, while the divergent wedge action causes a net load loss. Considering the right arrangement of textures on the contact surface, their surface contours can have a significant impact on the performance of hydrodynamic journal bearings at high eccentricity ratios. [ABSTRACT FROM AUTHOR]

The photophysical properties (absorption, fluorescence and phosphorescence) of a series of triarylboranes of the form 4‐D−C6H4−B(Ar)2 (D=tBu or NPh2; Ar=mesityl (Mes) or 2,4,6‐tris(trifluoromethylphenyl (Fmes)) were analyzed theoretically using state‐of‐the‐art DFT and TD‐DFT methods. Simulated emission spectra and computed decay rate constants are in very good agreement with the experimental data. Unrestricted electronic computations including vibronic contributions explain the unusual optical behavior of 4‐tBu−C6H4−B(Fmes)22, which shows both fluorescence and phosphorescence at nearly identical energies (at 77 K in a frozen glass). Analysis of the main normal modes responsible for the phosphorescence vibrational fine structure indicates that the bulky tert‐butyl group tethered to the phenyl ring is strongly involved. Interestingly, in THF solvent, the computed energies of the singlet and triplet excited states are very similar for compound 2 only, which may explain why 2 shows phosphorescence in contrast to the other members of the series. [ABSTRACT FROM AUTHOR]

The strongest genetic risk factor for late‐onset Alzheimer's disease (AD) is allelic variation of the APOE gene, with the following risk structure: ε4 > ε3 > ε2. The biochemical basis for this risk profile is unclear. Here, we reveal a new role for the APOE gene product, apolipoprotein E (ApoE) in regulating cellular copper homeostasis, which is perturbed in the AD brain. Exposure of ApoE target replacement (TR) astrocytes (immortalised astrocytes from APOE knock‐in mice) to elevated copper concentrations resulted in exacerbated copper accumulation in ApoE4‐ compared to ApoE2‐ and ApoE3‐TR astrocytes. This effect was also observed in SH‐SY5Y neuroblastoma cells treated with conditioned medium from ApoE4‐TR astrocytes. Increased intracellular copper levels in the presence of ApoE4 may be explained by reduced levels and delayed trafficking of the copper transport protein, copper‐transporting ATPase 1 (ATP7A/Atp7a), potentially leading to impaired cellular copper export. This new role for ApoE in copper regulation lends further biochemical insight into how APOE genotype confers risk for AD and reveals a potential contribution of ApoE4 to the copper dysregulation that is a characteristic pathological feature of the AD brain. [ABSTRACT FROM AUTHOR]

[Display omitted] • A Synthesis of pillaring natural and modified bentonite by Fe(III) and TiO 2 were performed. • Iron and TiO 2 were advantageous for obtaining bentonite with larger specific surface area. • Photocatalytic and antibacterial activities of synthesized nanocomposites have been reported. • Adsorption and photocatalytic degradation of metoprolol tartrate was studied. • TiO 2 /Fe(III)/activated bentonite nanocomposites exhibited an efficient photocatalytic activity. • High bacterial inactivation against E. coli and S. aureus in dark and under visible light was obtained. The synthesis of modified natural bentonite by TiO 2 nanoparticles and their photocatalytic and antibacterial applications were studied. The natural bentonite (NB) used in this work has been purified by acid treatment to obtain activated bentonite (AB). Then, the intercalation of AB by Fe3+ noted, as FeAB was prepared. TiO 2 and the three nanocomposites (TiO 2 /NB, TiO 2 /AB and TiO 2 /FeAB) were synthesized via a sol–gel and hydrothermal process. TiO 2 pillared clays showed an important photocatalytic properties compared to TiO 2 nanoparticles alone for the degradation of Metoprolol tartrate (MET). Therefore, TiO 2 /FeAB were found to be the most effective photocatalyst. The materials were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), scanning electron microscope (SEM) with energy dispersive spectroscopy (EDS) and BET (Brunauer-Emmett-Teller) method. The results of FTIR spectra was consistent with the DRX patterns. The SEM pictures reveal significantly larger particle aggregates, which correspond to bentonite and small particles, which belong to TiO 2. The antibacterial activities of all samples was evaluated by using Escherichia coli (Gram-negative bacteria) and Staphylococcus aureus (Gram-positive bacteria). A considerably high bacterial inactivation was achieved within 1 h of visible light irradiation for E. coli colonies. However, in dark all the colonies of S. aureus were killed in the first 30 min. [ABSTRACT FROM AUTHOR]

The purpose of this study was to improve polyvinylpyrrolidone (PVP) electrical conductivity by means of gamma irradiation for a dosimetric application. PVP was irradiated with various doses of γ radiation and dissolved in water to investigate its structural, optical, and electrical characteristics. Electron paramagnetic resonance measurements (EPR) depicted the presence of free radical (H·). FTIR and UV–visible spectra revealed a structural deformation in the post-irradiated polymer (PVP*) through chain scission. In addition, the gap and Urbach energy were investigated and discussed. The obtained results of electrical conductivity show an exponential behavior indicating a character of a pseudo-polyelctrolyte. The pH measurements revealed an acidic character of PVP*. [ABSTRACT FROM AUTHOR]

Abstract A wisely chosen geometry of micro textures with the favorable relative motion of lubricated surfaces in contacts can enhance tribological characteristics. In this paper, a computational investigation related to the combined influence of bearing surface texturing and journal misalignment on the performances of hydrodynamic journal bearings is reported. To this end, a numerical analysis is performed to test three texture shapes: square "SQ", cylindrical "CY", and triangular "TR", and shaft misalignment variation in angle and degree. The Reynolds equation of a thin viscous film is solved using a finite differences scheme and a mass conservation algorithm (JFO boundary conditions), taking into account the presence of textures on both full film and cavitation regions. Preliminary results are compared with benchmark data and are consistent with a positive enhancement in misaligned bearing performances (load carrying capacity and friction). The results suggest that the micro-step bearing mechanism is a key parameter, where the micro-pressure recovery action present in dimples located at the second angular part of the bearing (from 180° to 360°) can compensate for the loss on performances caused by shaft misalignment, while the micro-pressure drop effect at the full film region causes poor performances. Considering the right arrangement of textures on the contact surface, their contours geometries can have a significant impact on the performance of misaligned journal bearings, particularly at high eccentricity ratios, high misalignment degrees and when the misalignment angle α approaches to 0 ° or 180 °. [ABSTRACT FROM AUTHOR]

Abstract Chips composed of microwell arrays integrating nanoelectrodes (OptoElecWell) were developed to achieve dual optical and electrochemical detections on isolated biological entities. Each array consists in 106 microwells of 6 µm diameter × 5.2 µm height each, with a transparent bottom surface for optical observations, a platinum nano-ring electrode at its half-height for in situ electrochemistry, and a top open surface to inject solutions. Then, populations of individual mitochondria isolated from yeasts (Saccharomyces cerevisiae) were let to sediment on the array and be trapped within microwells. The trapping efficiency reached 20% but owing to the large number of microwells on the platform, hundreds of them could be filled simultaneously by single mitochondria. This allowed to follow up their individual energetic status based on fluorescence microscopy of their endogenous NADH. Simultaneously, the array of interconnected Pt nanoelectrodes in the microwells was used to monitor in situ variations of dioxygen consumed by all mitochondria captured in the device. Mitochondrial bioenergetics were modulated sequentially using respiratory chain-ATP synthase substrates (ethanol and ADP) and inhibitor (antimycin A). Overall, we show how two complementary analytical approaches, fluorescence and electrochemical detections, can be coupled for a multi-parametric monitoring of mitochondrial activities, with a resolution ranging from a small population (whole device) to the single mitochondrion level (unique well). Graphical abstract fx1 [ABSTRACT FROM AUTHOR]

Presents calculations on the exact electrostatic force acting on the real tip of an atomic force microscope. Modeling of electrostatic forces applied to a single tip; Potential distribution between a conical rounded tip and the plane; Static forces; Comparison with analytic models.

• Polyvinylpirrolydone, in powder state, was irradiated with various doses, D, ranged from 0.3 to 50 kGy of 60Co-gamma. • The irradiated polymer was dissolved in water and studied by viscometry and refractometry after 48 h. • For D < D c = 20 kGy, polyvinylpirrolydone, behaves as a neutral polymer. • For D ≥ D c = 20 kGy, polyvinylpirrolydone, behaves as a polyelectrolyte. • A neutral polymer-pseudo polyelectrolyte transition was proved. The purpose of this study is to study the conformation transition of a post irradiated polymer dissolved in water. In fact, polyvinylpyrrolidone (PVP) in powder(M w = 1.300.000 g/mol), is irradiated with various doses, D, ranged from 0.3 to 50 kGy of 60Co-gamma. The irradiated polymer, PVP*, is dissolved in water to obtain post irradiated solutions of different concentration. After the stabilization of the obtained solutions (48 h), refractometry and viscosity measurements, are used to characterize the post irradiated aqueous solutions at 25 °C. The specific volume of PVP* dissolved in water was determined according modified Lorentz-Lorenz and Gaston-Dale equations, showing two dependence on the dose, D. For D ≤ D c = 20 kGy, the specific volume increases and for D ≥ D c , the specific volume decreases. The reduced viscosity of PVP*(M w = 1.300.000 g/mol) aqueous solution permits to delimit the dilute and semi dilute regimes concentration and deduce the overlapping concentration, C* PVP* (D), which found to be insensitive to the dose value. For D < D c , the intrinsic viscosity PVP* dissolved in water is determined according a modified Huggins equation and so the irradiated polymer behaves as neutral polymer. However, when D = D C the intrinsic viscosity values calculated according modified Fuoss and Fedors equations are very close and the irradiated polymer behaves as a polyelectrolyte in water. For D > D c , the modified Fedors equation describes perfectly the evolution of the reduced viscosity versus irradiated polymer concentration. So, PVP* behaves as a polyelectrolyte in water and a neutral polymer – pseudo polyelectrolyte transition occurs under gamma irradiation effect. The irradiated polymer molar mass, M w PVP ∗ (D) , was determined by comparing its intrinsic viscosity to these established according the Mark Howink Shakurada equation. M w PVP ∗ (D) decreases by increasing the dose value, which confirm the scission the polymer chain under gamma irradiation effect. [ABSTRACT FROM AUTHOR]

The primary aim of the current investigation is to contribute to SARS-CoV-2 research by identifying potential lead compounds for clinical applications, with a specific focus on inhibitors targeting the main protease (Mpro). In this research, molecular docking analysis was conducted using the software molecular operating environmental (MOE) to evaluate the potency of bioactive compounds sourced from medicinal plants as inhibitors of SARS--CoV-2 Mpro. Among 118 natural compounds with anti-HIV characteristics, the top seven candidates (h3, h84, h85, h87, h90, h108 and h110), were identified based on their superior binding energies with comparison to the reference ligand N3. These selected compounds exhibited binding affinities of -33.996, -35.336, -32.615, -32.154, -33.452, -31.903 and -40.360 kJ mol-1, respectively. To further refine our shortlist of potential candidates for human application, we examined the drug-likeness, and the pharmaceutical attributes of these compounds using the SwissADME web server. Among them, only two compounds, namely h85 and h87, demonstrated favorable pharmacological properties suitable for human administration. These two compounds were subsequently shortlisted for further investigation. To explore the conformational stability of ligands within the Mpro active site, we performed molecular dynamics (MD) simulations. These simulations showed reliable and steady trajectories, supported by analyses of root-mean-square-fluctuation (RMSF) and root--mean-square deviation (RMSD). These findings and favorable molecular properties as well as interaction profiles suggest that these two lead compounds may be promising SARS-CoV-2 therapeutic candidates. They present exciting starting points for further drug design. [ABSTRACT FROM AUTHOR]

In this study we demonstrate the efficiency of a natural mineral as a photocalyst. This natural mineral was provided from the iron ore deposit from Chaabet-El-Ballout which is located in North-East of Algeria. The characterization analysis of the mineral by the Energy-dispersive X-ray spectroscopy (EDX) revealed that the natural powder has a mixed elemental composition and consist mainly of iron oxide with 50 % of iron. In order to determine the crystal phase composition of the natural iron oxide (NIO), X-ray diffraction (DRX) measurement and infrared absorption spectroscopy (FTIR) were carried out. The results showed that the NIO has a mixed crystal structure composed mainly of hematite and lesser extent of goethite. The specific surface area and the total pore volume of the NIO were 79.015 m2g−1 and 0.0892 cm3g−1 respectively, measured by the Brunauer Emmett–Teller method (BET). The Raman spectrum of the NIO confirmed that the sample has seven characteristic peaks attributable to hematite. The optical properties of soil powder were examined by UV-vis diffuse reflectance spectroscopy (DRS). The pH of point of zero charge (pHpzc) of the adsorbent was determined, a value of 8.3 was found. The photocatalytic activity of the NIO particles was tested by the decomposition of aqueous solution of different class of compounds; phenolic compounds, pesticides and dyes due to their presence in many types of wastewaters. The sorption on the surface of the NIO with photocatalytic oxidation using oxalic acid and hydrogen peroxide would be an effective oxidation process for the removal of contaminants under UV and solar irradiation. High percentages of degradation of 1- Naphtol (1-NP) and Linuron were found about, 94.6 %, 97.2 % respectively, in presence of NIO and H2O2 under UV irradiation. The presence of oxalic acid with NIO enhanced the photodegradation of 2,6-dimethylphenol (2,6-DMP), 2-chlorophenol (2-CP) and Methylene blue (MB) with 72 %, 92 % and 100 % percentages of degradation respectively. [ABSTRACT FROM AUTHOR]

Abstract In this paper, a Structural Health Monitoring (SHM) technique for damage identification in beam-like and truss structures using Frequency Response Function (FRF) data coupled with optimization techniques is presented. Genetic Algorithm (GA) and Bat Algorithm (BA) are used to estimate the location and severity of damage. The damage in the structures is simulated by reduction in rigidity of specific members. Both optimization techniques are coupled with modelled structures using Finite Element Method (FEM). The approach is based on minimizing an objective function by comparing measured and calculated FRFs. The results show that better accuracy is obtained using BA than using GA in terms of precision and computational time. Furthermore, it is found that the proposed approach provides faster solution than other approaches in the literature. [ABSTRACT FROM AUTHOR]

We performed benchmark studies on the molecular geometry, electron properties and vibrational analysis of imidazole using semi-empirical, density functional theory and post Hartree-Fock methods. These studies validated the use of AM1 for the treatment of larger systems. Then, we treated the structural, physical and chemical relationships for a series of imidazole derivatives acting as angiotensin II AT1 receptor blockers using AM1. QSAR studies were done for these imidazole derivatives using a combination of various physicochemical descriptors. A multiple linear regression procedure was used to design the relationships between molecular descriptor and the activity of imidazole derivatives. Results validate the derived QSAR model. [ABSTRACT FROM AUTHOR]

In this paper, the best stacking sequence using experimental tests of GFRP composites is investigated. The main objective of this work is to determine the main specification of GFRP composite material, which is represented by its physics-mechanical properties, weight, and cost, before performing a series of experimental tests based on various stacking sequences. Our methodology is divided into three stages. The first stage is characterized by extracting the bending data from mechanical tests of some GFRP composites. In the second stage, the validated numerical model is used to simulate numerous cases of stacking sequences. In the last stage, the extracted data is used to determine the parameters for different stacking sequences using an inverse technique based on ANN and JAYA algorithm. The results provide a good prediction of parameters as well as a good orientation to make decisions on the best GFRP stacking sequence to be used, according to the required specifications of the manufacturer. The experemental data analysis can be found at https://github.com/Samir-Khatir/Sequence-GFRP • A new methodology to predict the sequence of GFRP layers. • Inverse problems and evolutionary machine learning. • Improved numerical and experimental analysis. [ABSTRACT FROM AUTHOR]