皮卡第儒勒-凡尔纳大学

In this research, an oxidative chemical copolymerization was employed to develop a composite based on porous graphitic carbon nitride (CN) coated with PANi/PPy (PP) copolymer. The objective was to create a synergy between the two organic and inorganic polymeric constituents to maximize the sorption efficiency of the resulting composite towards diclofenac sodium (DC) as a representative emerging contaminant. The as-fabricated CN@PP-1 composite was used as an adsorbent for decontaminating aquatic systems from DC. The maximum quantity of DC adsorbed at 298 K was found to be 308.12 mg/g. The maximum DC removal percentage of 95.09% was achieved for 20 mg/L of DC using 0.35 g/L of CN@PP-1 dose at pH 4 for 180 min. The Elovich model (R2 = 0.994, χ2 = 1.318 and RMSE = 1.148) and the Redlich-Peterson isotherm model (R2 = 0.995, χ2 = 54.747 and RMSE = 7.399) provided the best fit to the kinetic equilibrium data, respectively. The thermodynamic parameters indicated that the DC adsorption by CN@PP-1 was physical in nature and occurred spontaneously. The adsorption mechanism of DC onto CN@PP-1 is primarily driven by π-π stacking and hydrogen bonding. After five cycles, the CN@PP-1 maintained a good DC adsorption efficiency of 72.22%, thus confirming its excellent recyclability. Moreover, modeling and prediction of DC removal were carried out using artificial neural networks. The ANN model demonstrated excellent capability for predicting complex and nonlinear adsorption systems.

Ziziphus lotus (L.) Desf. fruits are traditionally used against inflammatory disorders, yet the bioactive phytochemical forms present at physiological pH are rarely considered in molecular docking, leading to misleading target-ligand hypotheses. Here, an ultrasound-assisted hydroethanolic extraction was optimized to obtain a phenolic-rich extract (yield 47.03 +/- 2.26%; TPC 19.72 mg GAE g(-1); TFC 9.30 mg QE g(-1)). UHPLC-MS/MS revealed rutin (42.05% AUC), delphinidin-3-rutinoside (21.30% AUC) and kaempferol glycosides (8.47% AUC) as major constituents. The extract inhibited 5-lipoxygenase, COX-1 and COX-2 with IC50 values of 158.35 +/- 5.33, 89.78 +/- 1.63 and 92.96 +/- 2.22 & micro;g mL(-1), respectively. To address a key gap in in silico anti-inflammatory studies, we implemented pH-aware microspecies selection: dominant protonation states at pH 7.4 were predicted and docked into 5-LOX and COX isoforms. Rutin and delphinidin-3-rutinoside showed the most favorable binding energies (approximate to-8.2 and -8.1 kcal mol(-1)) with stable hydrogen-bond and pi-interactions, supporting multi-target inhibition. This integrated pH-constrained workflow strengthens the translation of docking to biologically relevant chemical space.

Engineering stable p-type conduction in molybdenum disulfide (MoS2) remains a key challenge for all-2D homojunction optoelectronics. Here, we demonstrate a scalable urea-assisted nitrogen doping strategy enabling controlled p-type behavior and vertically stacked n–p homojunction solar cells. In an ITO/n-MoS2/p-MoS2/Pt architecture fabricated by spray coating, pristine MoS2 serves as the electron transport layer, while N-doped MoS2 (10–50

In this work, we investigated the synthesis of ZnO nanoparticles using Thymus vulgaris in a framework combining experimental and computational approaches. UV-Vis spectroscopic analysis of the nanomaterials confirmed that they were coated with a thymol-rich phytocorona. Sub-micromolar IC50 values were recorded for A549 (5.9 ± 2.0 µg mL⁻¹), MCF-7 (12.5 ± 1.6 µg mL⁻¹), and DLD-1 (14.0 ± 2.1 µg mL⁻¹) cancer cell lines. Normal HEK-293 and HDF cells were unaffected at concentrations below 60 µg mL⁻¹, yielding tumor-selectivity indices between 4 and 11, substantially higher than those of cisplatin (≤ 2). Phase-contrast microscopy revealed hallmark apoptotic features, including cell rounding and chromatin condensation, within 24 h of treatment. Biochemically, measurements of reactive oxygen species (ROS) correlated ZnO nanoparticle degradation with oxidative stress. In addition, molecular docking of thymol on human lymphoma cells 2 (Bcl-2) (PDB 6O0K) indicated a selective binding within the BH3 groove (ΔG ≈ -6 kcal mol⁻¹), implicating disruption of Bcl-2/Bax complex formation and the potential release of pro-apoptotic factors. Drug and toxicity predictions indicated that thymol exhibits high gastrointestinal absorption, blood-brain barrier permeability, and a favorable LD50 (640 mg kg⁻¹, GHS category 4), contrary to the BH3 mimetic venetoclax, which possesses poor bioavailability despite being clinically approved. Collectively, these results underscore a dual anti-cancer strategy, wherein the ZnO core amplifies ROS generation while the plant-derived thymol halo interferes with anti-apoptotic signaling. Synergistically, the mechanism culminates in selective cancer cell death. Consequently, thymus-mimetic ZnO nanoparticles represent a promising low-cost platform for developing highly effective nanotherapeutics against cancer, confirming the validity of BH3 targeting as a complementary approach to ROS toxicity.

We initiate the study of derived functors in the setting of extriangulated categories. By using coends, we adapt Yoneda’s theory of higher extensions to this framework. We show that, when there are enough projectives and enough injectives, thus defined extensions agree with the ones defined earlier via projective/injective resolutions. For categories with enough projective or enough injective morphisms, we prove that these are right derived functors of the Hom -bifunctor in either argument. Since Hom is only half-exact in each argument, it is natural to expect “negative extensions", i.e. its left derived functors, to exist and not necessarily vanish. We define negative extensions with respect to the first and to the second argument and show that they give rise to universal δ -functors when there are enough projective or injective morphisms, respectively. In general, they are not balanced. However, for topological extriangulated categories, the existence of a balanced version of negative extensions follows from combining the work of Klemenc on exact ∞ -categories with results of the second and third authors. We discuss various criteria under which one has the balance of the above bifunctors on the functorial or on the numerical levels. This happens, in particular, in the cases of exact or triangulated categories, and also in the case of the category of n-term complexes with projective components over a finite-dimensional algebra. Given a connected sequence of functors on an extriangulated category (𝒞,𝔼,𝔰) , we determine the maximal relative extriangulated structure, with respect to which the sequence is a δ -functor. We also find several equivalent criteria for the existence of enough projective or injective morphisms in a given extriangulated category.