Chemical composition, in vitro antioxidant and anti-inflammatory activities of Juniperus oxycedrus subsp. oxycedrus extracts from Algeria

This study was conducted to examine chemical compositions, the anti-oxidant and anti-inflammatory properties of methanolic and aqueous extracts from aerial parts of Juniperus oxycedrus subsp oxycedrus growing in Mascara, Algeria. The quantitative assessment indicated that methanol extract was the most concentrated in phenolic, flavonoid and tannin contents (167.77±5.12 mg GAE/g DW, 90.56±2.23 mg QE/g DE and 110.21±2.38 mg CE/g DE respectively). The chromatographic analysis by HPLC showed quantitative differences in phenolic constutents, noting that Chlorogenic acid was the major compound of both extracts. Moreover, methanolic extract exhibited the highest antioxidant activity than the aqueous extract when tested by the 1,1-diphenyl-2-picrylhydrazyl (IC50 4.45±0.001 μg/mL) and phosphomolybdenum (328.52±0.071 mg of GAE/g DW) assays. Furthermore, the in vitro anti-inflammatory activity showed a strong inhibition of albumin denaturation by the methanolic extract at different concentrations when compared to standard drug diclofenac sodium. These findings confirm the richness of Algerian Juniperus oxycedrus extracts in bioactive compounds with antioxidant and anti-inflammatory capacities. These results are compatible with the use of the plant in traditional medicine. DOI: http://dx.doi.org/10.5281/zenodo.713528

Effet du stress salin sur le système foliaire d’une légumineuse vivrière (Phaseolus vulgaris L.) cultivée dans un sol de bentonite

The purpose of this research is to characterize the effect of salt stress on two varieties of Phaseolus vulgaris L. which is a salinity sensitive plant. To study the response of the two varieties to salt stress, we analyzed some of the plant’s morphological and biochemical parameters to identify the stress indicators, tolerance strategies, and highlight adaptation criteria as well as the genotype that could be grown under salinity without significantly decreasing yield. For this purpose, the two varieties were (“coco rose” and “djedida”) were subjected to salt stress of 6 g/l or approximately 100 mM of NaCl supplemented with “bentonite” clay at 2 different rates (3.5 and 7%) until the fruiting stage, compared to the control without salt or “bentonite”. According to the results, the two studied varieties have different reactions to salt stress. The biomass of the aerial part of the “pink coco” variety is greater than that of the variety “djedida”, especially in the presence of NaCl. On the other hand, the strategy of the bean variety “pink coco” was to accumulate more soluble sugars in leaves as well as reducing leaf area and decreasing the number of fruits. On the other hand, there was a larger accumulation of soluble sugars and proline in leaves of the variety “djedida” as well as reduced leaves, a less developed root system and zero number of fruits which show high sensitivity to excess salt for this variety. Finally, addition of “bentonite” reduced the harmful effect of salinity in the plant. Keywords: Variety, Phaseolus vulgaris, salinity, bentonite, proline, sugars, adaptation.Le but de ce travail est de caractériser l’effet du stress salin sur deux variétés de l’espèce Phaseolus vulgaris L. qui est une plante sensible à la salinité. Pour étudier la réponse des deux variétés utilisées en situation de stress salin, nous avons analysés certains paramètres morphologiques et biochimiques du système foliaire de la plante afin d’identifier les bio-indicateurs de stress, certaines stratégies de tolérance et mettre en évidence des critères d’adaptation ainsi que le génotype qui pourrait être cultivé en condition de salinité sans que le rendement ne soit fortement diminué. Pour cela, les deux variétés testées («coco rose» et «djedida») ont étés soumises au stress salin à raison de 6 g/l soit environ 100 mM de NaCl additionné d’argile «bentonite» à 2 doses différentes (3,5 et 7%) jusqu’au stade fructification, en plus du témoin à 0 g/l et sans bentonite. Selon les résultats obtenus, les deux variétés étudiées ont eu des réactions différentes vis-à-vis du stress salin. En effet, la biomasse de la partie aérienne de la variété «coco rose» est plus importante que celle de la variété «djedida», surtout en présence du NaCl. D’autre part, la stratégie de la variété de haricot «coco rose» est d’accumuler plus de sucres solubles dans les feuilles ainsi que la réduction de la surface foliaire et une diminution du nombre de fruits. Par contre, il y a eu une accumulation plus importante de sucres solubles et de proline dans les feuilles de la variété «djedida» ainsi que des feuilles réduites, un système racinaire moins développé et un nombre de fruit nul, ce qui démontre sa grande sensibilité à l’excès de sel. Enfin, l’ajout de bentonite réduit l’effet nocif de la salinité chez la plante. Mots clés: Variété, Phaseolus vulgaris, salinité, bentonite, proline, sucres, adaptation

Synthesis, Characterisation, Hirshfeld surface analysis, Magnetic susceptibility, DFT calculations, pkCSM profile, and Biological activities of Novel mono‐, di‐, and multinuclear Cobalt (II) complexes

International audienceThis study explores the synthesis and diverse properties of newly synthesised water‐soluble cobalt (II) complexes (1‐3). Analysis of the complexes through various methods, including Hirshfeld surface analysis, reveals distinctive intermolecular interactions, particularly robust H‐bonding contributions to crystal packing. 2D fingerprint plots provide quantitative insights into supramolecular interactions, while TGA‐DSC analysis elucidates multi‐step decomposition processes, mainly involving organic moieties. FT‐IR and SCXRD confirm the structures of the complexes. Magnetic susceptibility measurements show paramagnetic behaviour in all complexes. FMO calculations expose HOMO‐LUMO gaps and charge transfer processes, with NBO analysis emphasizing the significance of chloride, nitrogen, and oxygen atoms in coordination. In addition, pkCSM profile was carried out. The biological properties of the complexes reveal potent antibacterial activity for 2 and 3 against Gram‐positive and Gram‐negative bacteria. Despite lower antibacterial efficacy compared to standard antibiotics, their water solubility suggests potential human pharmacological applications. In terms of anti‐inflammatory activity, all three complexes exhibit concentration‐dependent prevention of ovalbumin denaturation, with 2 being the most effective. Compound 3, despite having seven carboxyl groups, exhibits the weakest anti‐inflammatory effect, potentially attributed to complex formation obscuring these groups. Furthermore, all complexes display antioxidant activities; 1 and 2 are greater than BHT in the ferric thiocyanate assay

Combined experimental, computational studies (synthesis, crystal structural, DFT calculations, spectral analysis) and biological evaluation of the new homonuclear complexDi-µ-benzoato-bis [benzoatodipyridinecobalt (II)]

International audienceA binuclear cobalt(II) benzoate complex with pyridine as auxiliary ligands has been synthesized and identified by UV–Vis, IR spectroscopy, and TG-DTA analysis. The molecular structure of the complex was determined by single-crystal X-ray diffraction (SCXRD). Thermogravimetric analysis shows two steps decomposition of the present complex. The Co (II) ions are in a distorted octahedral environment [CoN2O4]. The crystal structure was stabilized by different intramolecular/ intermolecular interactions, including Van der Waals, hydrogen bonding, donor-acceptor, and π-π interactions between the pyridine rings. Furthermore, all density functional theory (DFT) calculations have been performed in the gas phase using the GGA-BLYP functional and the TZP basis set, and for the Time-Dependent Density Functional Theory (TD-DFT) calculations, several functionals have been used, namely the GGA BLYP and PBE, the hybrids B3LYP and PBE0, the SAOP potential model, and finally the range-separated CAMY-B3LYP functional with the TZP basis set. Good consistency was observed between the calculated and the experimental results. The bond dissociation energies (BDE) were calculated using the fragment analysis. The intermolecular interactions were investigated through the Molecular Electrostatic Potential (MEP) and supported by Hirshfeld charges analysis. To characterize the non-covalent interactions in the complex, (NCI plot) index has been computed and supported by AIM analysis. Also, the global and local reactivity descriptors have been calculated to highlight the reactive sites in the molecular structure. Moreover, the antimicrobial activity was evaluated by agar disk diffusion assay against seven pathogenic strains, and the antioxidant activity was estimated using four different techniques. In addition, the in vitro anti-inflammatory activity was assessed by the albumin denaturation method

Removal of crystal violet dye using a three-dimensional network of date pits powder/sodium alginate hydrogel beads: Experimental optimization and DFT calculation

Biodegradable and very low-cost adsorbent beads were prepared from date pits powder (DP) and sodium alginate (SA). DP to SA ratios was varied (1/2; 1/4 and 1/6) and used to eliminate Crystal violet (CV) a cationic dye. Adsorbents were characterized by FTIR, SEM-EDS, UV–vis DR, TGA and the point of zero charge (pHPZC). The optimal composite beads SA@6DP show high adsorption capacities of 83.565 mg/g toward CV than SA@2DP and SA@4DP. The kinetics investigation showed that the adsorption is well described by the pseudo-second-order kinetic (R2 = 0.998). The thermodynamics and isotherms studies exhibit that the adsorption phenomenon for SA@6DP adsorbent is endothermic and significantly fitted with the Redlich-Peterson model. The experimental adsorption tests were optimized by the Box-Behnken design (BBD) which led to conclude the maximal CV removal obtained by SA@6DP was 99.873 % using [CV] = 50 mg/L, adsorbent mass = 20 mg and 48 h of contact time. The theoretical calculation proved that the CV molecules favor the mode of attack due to their electrophilic character and can accept the SA@6DP adsorbent electrons more easily to form an anti-bonding orbital. SA@6DP hydrogel beads are therefore an exceptional bio-adsorbent that offers excellent adsorption performance