This study examined the hepatoprotective and anti-inflammatory effects of anthocyanins from Vaccinim myrtillus (bilberry) fruit extract on the acute liver failure caused by carbon tetrachloride-CCl₄ (3 mL/kg, i.p.). The preventive treatment of the bilberry extract (200 mg anthocyanins/kg, orally, 7 days) prior to the exposure to the CCl₄ resulted in an evident decrease in markers of liver damage (glutamate dehydrogenase, sorbitol dehydrogenase, malate dehydrogenase), and reduced pro-oxidative (conjugated dienes, lipid hydroperoxide, thiobarbituric acid reactive substances, advanced oxidation protein products, NADPH oxidase, hydrogen peroxide, oxidized glutathione), and pro-inflammatory markers (tumor necrosis factor-alpha, interleukin-6, nitrite, myeloperoxidase, inducible nitric oxide synthase, cyclooxygenase-2, CD68, lipocalin-2), and also caused a significant decrease in the dissipation of the liver antioxidative defence capacities (reduced glutathione, glutathione S-transferase, and quinone reductase) in comparison to the results detected in the animals treated with CCl₄ exclusively. The administration of the anthocyanins prevented the arginine metabolism’s diversion towards the citrulline, decreased the catabolism of polyamines (the activity of putrescine oxidase and spermine oxidase), and significantly reduced the excessive activation and hyperplasia of the Kupffer cells. There was also an absence of necrosis, in regard to the toxic effect of CCl₄ alone. The hepatoprotective mechanisms of bilberry extract are based on the inhibition of pro-oxidative mediators, strong anti-inflammatory properties, inducing of hepatic phase II antioxidant enzymes (glutathione S-transferase, quinone reductase) and reduced glutathione, hypoplasia of Kupffer cells, and a decrease in the catabolism of polyamines.

Changes in color and color stability of cyanidin and cyanidin 3-O-β-glucopyranoside (Cy3Glc) in aqueous solutions were investigated at pHs from 0.5 to 13.1, by combination of colorimetry and spectrophotometry. The glucosidic substitution at C-3 of cyanidin (i.e., Cy3Glc), moved the tonalities toward the yellow pole of the chromatic circle, which resulted in high Chroma increases and a hypsochromically shifted visible absorbance maximum (λ_max-vis). Under the most acidic and alkaline conditions, cyanidin showed greater Lightness compared with the rest of the pH range. At these extreme pHs, the lower Lightness of Cy3Glc was coupled with a high Chroma value. As a consequence, Cy3Glc showed its most intense color under the most acidic and alkaline conditions, and did not show visually perceptible color at neutral pH. At pH <3 and from pH 10 to11 cyanidin had lower color stability than Cy3Glc. We show the correlations between the data for these color and stability variations for cyanidin and Cy3Glc over the entire pH range.

In this work, a manganese selenide/graphene oxide (MnSe/GO)-based composite was prepared for wet-chemical assisted method against organic dye; herein, methylene blue (MB) dye removal from the water was employed as a metal selenide-based photocatalyst. The synthesized MnSe/GO composite was systematically characterized by X-ray diffraction (XRD), Fourier transform electron microscopy (FTIR), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), and UV-visible diffuse reflectance spectroscopy (UV-vis. DRS). The structural characteristic revealed the adequate synthesis of the sample with good crystallinity and purity of the obtained products. The morphological analysis indicates the formation of MnSe nanoflakes composed of tiny particles on their surface. At the same time, the GO nanosheets with high aggregation were formed, which may be due to the van der Waals forces. The bond interaction and compositional analysis studies confirmed and supported the structural findings with high purity. The optical analysis showed the bandgap energies of MnSe and their composites MnSe (1.7 eV), 7% GO-MnSe (2.42 eV), 14% GO-MnSe (2.6 eV), 21% GO-MnSe (3.02 eV), and 28% GO-MnSe (3.24 eV) respectively, which increase the bandgap energy after GO and MnSe recombination. Among different contents, the optimized 21% GO-MnSe composite displayed enhanced photocatalytic properties. For instance, a short time of 90 min was taken compared with other concentrations due to the narrow bandgap of MnSe and the highly conductive charge carrier’s support, making the process to remove MB from water faster. These results show that the selenide-based photocatalyst can be an attractive candidate for future advanced photocatalysis applications.

Vanadium complexes have gained considerable attention as biologically active compounds. In this contribution, three previously reported dioxovanadium(V) complexes with pyridoxal semicarbazone, thiosemicarbazone, and S-methyl-iso-thiosemicarbazone ligands are theoretically examined. The intermolecular stabilization interactions within crystallographic structures were investigated by Hirshfeld surface analysis. These experimental structures were optimized at the B3LYP-D3BJ/6-311++G(d,p)(H,C,N,O,S)/def2-TZVP(V) level of theory, and crystallographic and optimized bond lengths and angles were compared. High correlation coefficients and low mean absolute errors between these two data sets proved that the selected level of theory was appropriate for the description of the system. The changes in structures and stability were examined by adding explicit solvent molecules. The Quantum Theory of Atoms in Molecules (QTAIM) was employed to analyze the intramolecular interactions with special emphasis on the effect of substituents. A good correlation between electron density/Laplacian and interatomic distance was found. Through molecular docking simulations towards Bovine Serum Albumin (BSA), the binding affinity of complexes was further investigated. The spontaneity of binding in the active position of BSA was shown. Further experimental studies on this class of compounds are advised.

Grape stems are an abundant by-product of winemaking and a promising source of phenolic antioxidants representing an underutilized biomass within the circular economy. Seven Vitis vinifera L. cultivars were analysed by HPLC DAD, with Merlot (Me), Cabernet Sauvignon (CS) and Italian Riesling (IR) identified as the richest sources. This comparative screening provided the basis for a multi-index optimization of extraction. A 2³ full factorial design (ethanol 30–60% v/v; 30–80 min; 25–65 °C) was used for optimization. The optimal green conditions—60% ethanol, 80 min, 65 °C—yielded 1.860 mg/g CA, 1.098 mg/g Q-gluc and 0.409 mg/g Q-glc, with the Merlot stems showing the highest extraction efficiency and Merlot consistently outperforming the other varieties. Kinetic modeling using an unsteady state diffusion model showed excellent agreement (R² ≈ 0.99, RMS < 2%), suggesting a leaching-diffusion mechanism. The thermodynamic parameters confirmed an endothermic, spontaneous and irreversible process with ΔH° between 19.5 and 36.6 kJ/mol, ΔS° between 69.1 and 131.6 J/molK and ΔG° between −1.1 and −9.2 kJ/mol, depending on the compound and grape stem variety. This study shows that grape stems can be efficiently utilised as a sustainable source of phenolic antioxidants, with potential applications in the production of functional foods and dietary supplements. This integration highlights the novelty of the study and supports the valorization of grape stems in the framework of sustainability and the circular economy.

New Cu(II) complexes with pyridoxal-aminoguanidine (PLAG) ligands and different counterions (SO₄²⁻ and NO₃⁻) were prepared and their crystal structures were solved by the X-ray crystallography. The geometries of the obtained complexes significantly depended on the counterions, leading to the square-pyramidal structure of [Cu(PLAG)NO₃H₂O]NO₃ (complex 1) and square-planar structure of [Cu(PLAG)H₂O]SO₄ (complex 2). The intermolecular interactions were examined using the Hirshfeld surface analysis. The theoretical structures of these complexes were obtained by optimization at the B3LYP/6-311++G(d,p)(H,C,N,O,S)/LanL2DZ(Cu) level of theory. The Quantum Theory of Atoms in Molecules (QTAIM) was applied to assess the strength and type of the intramolecular interactions and the overall stability of the structures. The interactions between the complexes and transport proteins (human serum albumin (HSA)) and calf thymus DNA (CT-DNA) were examined by spectrofluorometric/spectrophotometric titration and molecular docking. The binding mechanism to DNA was assessed by potassium iodide quenching experiments. The importance of counterions for binding was shown by comparing the experimental and theoretical results and the examination of binding at the molecular level.