Search Results (2,557)

The chlorophyll molecule is considered a low-cost material, easy to synthesize, and easily extracted from plant leaves. It exhibits high chemical stability, structural flexibility, and high absorbance ability at the visible range of electromagnetic radiation. In this work, the geometrical, electronic, and optical properties of pure, dissolved, and doped chlorophyll (C1) natural organic dye were computed by density functional theory (DFT) and time-dependent density functional theory (TD-DFT). The solvents considered include water (H₂O), acetone (C₂H₆O), dichloromethane (CH₂Cl₂), chloroform (CH₃Cl), and dimethyl-sulfoxide (DMSO) (C₂H₆OS). The solar photovoltaic parameters, such as light-harvesting efficiency (LHE), oscillation strength (f), free energy of electron injection (${\Delta \mathrm{G}}_{\mathrm{I}\mathrm{n}\mathrm{j}.}$) and regeneration (${\Delta \mathrm{G}}_{\mathrm{R}\mathrm{e}\mathrm{g}.}$), open-circuit voltaic (V_OC), and efficiency ($\eta$), were also investigated. The evaluated energy gap slightly shifted from 1.920 eV to 1.980 eV based on the solvent polarity, while the UV-Visible absorption spectrum red-shifted from 422.3 nm to 439.8 nm, improving the overall efficiency up to 21.5% in DMSO solvent. The (LHE) and (${\Delta \mathrm{G}}_{\mathrm{I}\mathrm{n}\mathrm{j}.}$) properties regarding Cl molecules improved up to 69.1% and −1.384 eV when dissolved in chloroform and DMSO solvents, respectively. Doping C1 molecule via metal transition atoms such as zinc (Zn), nickel (Ni) and copper (Cu) further modified the optical and photovoltaic performance. Doped C1 molecule via Cu atom shows the best photonic results, including the highest open-circuit voltage (V_oc) and conversion efficiency ($\mathrm{Ƞ}$), while the Ni-doped C1 dye displays the longest lifetime, 1.699 µs, and the highest electronic coupling constant, 1.975 eV; thus, it has the superior photovoltaic performance. These results demonstrate that both solvents and transition metal atom modification significantly improve C1 performance, making metal-doped C1 a promising low-cost and eco-friendly sensitizer for dye-sensitized solar cells (DSSCs). Full article

While many [FeFe]-hydrogenase biomimetics are effective proton-reduction catalysts, few are active for H₂ oxidation, and examples containing both a pendant amine group, able to act as a proton relay, and a second redox center, both essential features of the enzymes, are rare. Here we report the preparation and oxidation chemistry of two ferrocene-functionalized amino-diphosphines (PCNCP), (CH₂PR₂)₂NCH₂Fc (R = Ph (1), Cy (2)), and their ethylenedithiolate (edt) diiron complexes, [Fe₂(CO)₄(μ-edt){κ²-(R₂PCH₂)₂NCH₂Fc}] (R = Ph (3), Cy (4)). Their crystallographic characterization shows that PCNCP occupies an apical–basal position. CV responses are slightly R-dependent, showing for 3 and 4 in three separate oxidative processes assigned to successive one-electron oxidation of the diiron core (quasireversible), appended Fc (reversible), and the amine–diiron moiety (irreversible), as confirmed by IR and UV–Vis spectroelectrochemical studies supported by Density Functional Theory (DFT) and Time-dependent Density Functional Theory (TDDFT) calculations. The first oxidation results in a structural rearrangement of the Fe(PNP)(CO) unit and the formation of a semi-bridging carbonyl. Slow protonation of 3 with HBF₄∙Et₂O affords the corresponding N-protonated cation in acetone, whilst μ-hydride products dominate for both 3 and 4 in CD₂Cl₂. A preliminary H₂ oxidation study was carried out with 3, and while there was some evidence of activity, it was much lower than reported for alkyl-functionalized PCNPC diiron derivatives. Full article

This study evaluated Apis mellifera brood fat extracts as a sustainable alternative to beeswax for anti-inflammatory topical delivery, including their formulation into nanostructured lipid carriers (NLCs). Brood fat was extracted using acetone, ethyl acetate (EA), and hexane, and the resulting extracts were characterized for fatty acid composition and physicochemical properties. Safety was assessed using the hen’s egg chorioallantoic membrane test and cytotoxicity testing in RAW 264.7 macrophages. Anti-inflammatory activity was assessed by inhibition of lipopolysaccharide-induced interleukin-6 (IL-6) and tumor necrosis factor-alpha (TNF-α) production. The most suitable extract was formulated into NLCs using sugar squalane as liquid lipid, and the effects of lipid ratio and preparation method were investigated. The results showed that the ethyl acetate extract had the highest yield. Compared with beeswax, all fat extracts exhibited a favorable oleic acid–rich fatty acid profile with comparable crystallinity and thermal behavior, while showing significantly enhanced anti-inflammatory activity (p < 0.05). All extracts and their NLCs were non-irritating and non-cytotoxic. Ethyl acetate extract-based NLCs exhibited favorable particle sizes (72.1 ± 0.3 nm) and narrow polydispersity (0.14 ± 0.00), with high-pressure homogenization producing smaller particles compared to probe sonication without affecting IL-6 or TNF-α inhibition. Therefore, A. mellifera brood fat extract is a sustainable anti-inflammatory lipid source with strong potential as an alternative to beeswax in topical nano-formulations. Full article

Halophilic proteases are valuable in industrial applications due to their resistance to harsh conditions. HtrA2 serine protease is widely distributed and conserved among eukaryotes and prokaryotes. However, HtrA2 proteases from archaea have been poorly characterized. In this study, htrA2 from haloarcheon Haloarcula sp. TG1 was cloned and corresponding nucleotide and amino acid sequences were analyzed. Recombinant HtrA2 was produced in Escherichia coli, and biochemical properties of purified HtrA2 were characterized. HtrA2 was immobilized for the first time using polyhydroxybutyrate (PHB) nanoparticles. Additionally, potential of HtrA2 as a detergent additive was evaluated by its bloodstain removal activity. Recombinant HtrA2 showed its optimum activity at 50 °C, pH 7.0, and 3.0 M NaCl. HtrA2 activity was highly retained over wide temperature (40 to 60 °C) and pH ranges (pH 5.0 to 11.0). Moreover, various organic solvents, inhibitors and metal ions were well tolerated by the enzyme. Acetone and Fe²⁺ significantly increased HtrA2 activity, while it was not inhibited by phenylmethylsulfonyl fluoride and sodium dodecyl sulfate. Also, immobilization of HtrA2 onto PHB nanoparticles improved its reusability. Furthermore, HtrA2 successfully removed the bloodstain from cotton fabric. This comprehensive characterization of HtrA2 demonstrates that recombinant HtrA2 obtained from Haloarcula sp. TG1 is promising for industrial applications. Full article

This study investigates the feasibility of treating acidic gases produced in oilfields using a novel method that combines cavitation-jet reactor (CJR) technology with electric arc discharge (EAD). The integration of these two approaches enhances the ionization process by converting neutral gas molecules into chemically reactive ion-radical and radical fragments. These highly reactive species eventually recombine, creating new chemical compounds and simpler molecules from incoming acid gas and water vapor. Theoretical validation and experimental demonstration have revealed possible mechanisms and pathways of low-temperature plasma-chemical processes resulting from the synergistic effects of cavitating-jet flow and arc discharge on the molecular degradation of neutral gaseous molecules, such as hydrogen sulfide and carbon dioxide in water vapor, which lead to the generation of new compounds. Research indicates that the most effective method for processing associated petroleum gas (APG) involves minimizing the sequential nature of chemical reactions in low-temperature non-equilibrium plasma environments, thus eliminating the need for costly and complex catalysts. Additionally, studies have shown that the cavitation-jet flow of a gas–vapor–liquid mixture, when combined with an electric arc discharge in the truncated region of the low-temperature plasma of CJR, results in the synthesis of hydrogen, two forms of S₈ (S₈^I and S₈^II), crystalline carbon, and its organic derivatives containing oxygen and nitrogen, specifically methanol, ethanol, acetone, and acetonitrile. The data obtained suggest that the generation of low-temperature plasma in the cavitation-jet chamber, induced by an electric discharge, is essential for the production of reaction products, such as hydrogen, sulfur, and oxygen- and nitrogen-containing derivatives of organic carbon, when water vapor and acid gas molecules traverse the reactor. Full article

Seafood processing generates large volumes of by-products that are often underutilized despite their potential as sources of high-value bioactive lipids. In this study, a hybrid process integrating microwave (MW) pretreatment with Soxhlet (SOX) extraction was developed and optimized to intensify the recovery of astaxanthin (ASX)- and ω-3 PUFA-rich oil from green tiger shrimp (Penaeus semisulcatus) residues. Response surface methodology (RSM) comprising 22 experimental runs was applied to optimize key MW process variables, including power (100–400 W) and irradiation time (30–90 s). Both factors significantly influenced oil yield, with optimal operating conditions identified at 400 W and 75 s. MW pretreatment promoted structural disruption of shrimp shells, as confirmed by scanning electron microscopy, thereby enhancing solvent penetration and mass transfer. Solvent selection further affected extraction performance: hexane:isopropanol (1:1, v/v) achieved the highest oil yield (3.86 g/100 g dry weight), while hexane:acetone produced extracts with the highest ASX concentration (1032.24 µg/g oil), ω-3 PUFA content (29.85%), and antioxidant activity (93.30% DPPH scavenging). Colorimetric analysis supported these results, with increased redness (a* = 18.12) correlating with ASX enrichment. Overall, this integrated MW-SOX process represents an effective process-intensification strategy for sustainable shrimp waste valorization and production of bioactive lipid fractions. Full article

In this study, sixteen secondary metabolites, including two chromones, four dibenzofurans, three lipids, three depsides, two aromatic compounds, a quinone, and a terpene, were detected in the methanol:acetone (1:1 v/v) extract of the lichen Hypotrachyna enderythraea (Zahlbr.) Hale, using High-Performance Liquid Chromatography coupled to Orbitrap Electrospray Ionization tandem Mass Spectrometry (HPLC-Orbitrap ESI tandem MS/MS). These metabolites were characterized by analysis of their exact molecular masses and corresponding fragmentation patterns. The retention times of the identified metabolites were compared with those of standard compounds, confirming the presence of naturally occurring bioactive compounds. Density Functional Theory (DFT) calculations were employed to investigate preferential deprotonation sites in representative polyprotic metabolites. All these findings may contribute to expanding the spectrum of compounds identified within the genus Hypotrachyna and to evaluating their potential biological activities. Full article

Parkinson’s disease (PD) is a neurodegenerative disorder characterized by mitochondrial dysfunction, oxidative stress, and apoptosis. Natural products rich in polyphenols have been investigated for their potential to modulate pathways associated with PD-related pathology. The present study evaluated the effects of an acetonic almond skin extract, an agri-food by-product, in a zebrafish (Danio rerio) larval model of PD induced by 6-hydroxydopamine (6-OHDA). Embryos were exposed to 250 µM 6-OHDA alone or in combination with the extract (5 and 25 µg/mL) from 48 to 120 h post-fertilization (hpf). Developmental parameters, locomotor behaviour, oxidative stress biomarkers, apoptosis, mitochondrial membrane potential, and tyrosine hydroxylase (TH) immunoreactivity were assessed at 120 hpf. Exposure to 6-OHDA reduced TH immunofluorescence and impaired locomotor performance, accompanied by increased apoptotic signal and mild alterations in mitochondrial membrane potential. Co-exposure to the almond skin extract attenuated the reduction in TH immunoreactivity and partially modulated behavioural outcomes in a concentration-dependent manner. The extract alone increased glutathione S-transferase (GST) activity and reduced reactive oxygen species (ROS) levels, suggesting modulation of redox-related pathways. Notably, the highest concentration restored the TH signal but did not fully normalize the behavioural endpoints, indicating potential concentration-dependent complexity. Although sustained oxidative stress was not detected at the assessed time point, the observed mitochondrial and apoptotic alterations suggest involvement of multiple cellular processes. However, detailed mechanistic pathways were not directly investigated. Overall, these findings indicate that the almond skin extract modulates dopaminergic and behavioural alterations in a PD-induced zebrafish model, supporting its potential as a source of bioactive compounds, warranting further mechanistic and translational investigation. Full article

The development of interface-engineered, multifunctional nanostructured materials with controllable surface and magnetic properties remains a critical challenge in wastewater treatment and environmental remediation. In this work, a novel GO–CoFe₂O₄–Silicone Magnetic Sponge was successfully fabricated through the integration of graphene oxide and CoFe₂O₄ magnetic nanoparticles within a silicone-modified porous sponge matrix. The resulting material combines superhydrophobicity, oleophilicity, high adsorption capacity, and magnetic responsiveness in a single architecture. The prepared sponge exhibited a high water contact angle of 161.5°, confirming its superhydrophobic nature, while maintaining excellent structural integrity during repeated use. Vibrating sample magnetometry revealed clear ferrimagnetic behavior, enabling rapid magnetic manipulation and efficient recovery of the sponge from aqueous media. The GO–CoFe₂O₄–Silicone Magnetic Sponge demonstrated strong adsorption performance toward a wide range of oils and organic solvents, including chloroform, olive oil, toluene, ethanol, acetone, gasoline, and hexane, with adsorption capacities remaining stable over multiple cycles. Furthermore, the sponge showed outstanding separation efficiency exceeding 98.3% for various oil/water and organic solvent/water mixtures, both in batch and continuous vacuum-assisted separation systems. The adsorption capacity and separation efficiency were retained after repeated adsorption–desorption cycles, indicating excellent reusability and durability. Owing to its synergistic combination of surface chemistry, porous structure, and magnetic functionality, the GO–CoFe₂O₄–Silicone Magnetic Sponge represents a promising candidate for practical applications in oil spill cleanup and wastewater treatment. Full article

Reproductive management in goats remains challenging due to seasonal breeding and the use of hormones that raise concerns about immunogenicity, cost, sustainability, and animal welfare. In this study, we evaluated date palm pollen (Phoenix dactylifera L.) (DPP) as a natural source of estrogenic compounds capable of modulating reproductive function. DPP was extracted using methanol, ethanol, acetone, and hexane, and the extracts were analyzed by ultra-performance liquid chromatography. Quercetin and coumestrol were detected in the methanolic and ethanolic extracts at comparable levels (quercetin 0.043–0.044 mg/g; coumestrol 0.987–1.015 mg/g of extract) (p > 0.05). The acetone extract contained significantly lower concentrations (quercetin 0.017 mg/g; coumestrol 0.033 mg/g of extract), while the hexane extract showed no detectable amounts. Molecular docking using the crystallographic structure of estrogen receptor alpha (PDB:6PIT) showed that both compounds interact with key residues of the receptor’s ligand-binding domain. Coumestrol exhibited the highest affinity (−9.3 kcal/mol), surpassing 17-β estradiol (−8.9 kcal/mol), forming several hydrogen bonds and hydrophobic contacts. Quercetin showed a lower affinity (−7.2 kcal/mol) but maintained stabilizing interactions compatible with partial agonist activity. Overall, methanol and ethanol were the most effective solvents for extracting phytoestrogens from DPP, and the findings support their potential as natural alternatives to hormones for estrus induction in goats. Full article

Lignin, the second-most-abundant polymer on Earth, has attracted attention for its value-added applications. Colloidal lignin particles can overcome handling and compatibility issues, offer antioxidant, antimicrobial, and UV-protective properties, and serve as Pickering stabilizers. Plant extracts rich in bioactive compounds, such as polyphenols and flavonoids (e.g., quercetin), can further enhance lignin-based formulations. In this context, colloidal lignin–quercetin particles (CLQPs) were produced for the first time via antisolvent precipitation and used as Pickering emulsion stabilizers. CLQP dispersions (30 g/L) were prepared by solubilizing lignin and quercetin in 80% (v/v) aqueous acetone solution, followed by precipitation with a pH 8 buffer. A quercetin content of 50% (w/w) (CLQP-50) resulted in predominantly round-shaped lignin–quercetin particles (<1 µm) with a small fraction of quercetin crystals. Both structures contributed to emulsion stabilization, as evidenced by confocal microscopy, a three-phase contact angle of 91.6 ± 0.1°, and a zeta potential of −52.8 ± 2.7 mV. CLQP-50 successfully stabilized Pickering emulsions at a 60/40 oil/water ratio, showing high physical stability (stability index 0.01) and shear-thinning behavior with gel-like consistency. These findings demonstrate the pioneering development of lignin–quercetin hybrid colloidal particles as sustainable and functional Pickering stabilizers, opening new opportunities for advanced cosmetic and pharmaceutical formulations. Full article

This study evaluated the effect of saliva contamination at different stages of application of an acetone-based universal adhesive on dentin bond strength. Seventy-two caries-free third molars were assigned to six groups (n = 12) according to contamination step. Specimens underwent shear bond strength testing. To determine the SBS, each bonded specimen was subjected to an SBS test in a universal testing machine (Shimadzu Autograph AGS-X; Shimadzu Corp., Kyoto, Japan) equipped for operating at a crosshead speed of 1 mm/min. Data were analyzed using one-way analysis of variance (ANOVA) followed by Tamhane’s T2 test for post hoc multiple comparisons with p ˂ 0.05 as the significance level. Saliva contamination significantly affected dentin bond strength (p < 0.001). The highest bond strength was observed in the post-polymerization contamination group with adhesive reapplication (12.32 MPa), whereas the lowest values were recorded when contamination occurred after the initial adhesive application (6.37 MPa). Overall, contamination prior to polymerization resulted in reduced bond strength, while reapplication of adhesive after polymerization improved bonding performance. Within the limitations of this in vitro study, salivary contamination adversely influences the dentin bonding effectiveness of acetone-based universal adhesives, particularly when it occurs before curing. However, adhesive reapplication following post-polymerization contamination may partially compensate for this effect. Full article

Background: It is known that the α-hydroxyphosphonates and their derivatives may have potential biological activity. Methods: Within the prominent class of α-hydroxyphosphonates, α-hydroxy-alkylphosphonates and their derivatives were prepared as new representatives in the hope of obtaining biologically active species. During our work the Pudovik reaction, acylation and phosphinoylation/phosphorylation methods were used. The new compounds were characterized by NMR and MS spectroscopy. The antiproliferative effects were tested on U266 (myeloma multiplex) and A2058 (melanoma) cells. Results: Ethyl methyl ketone–dialkyl phosphite and secondary phosphine oxide adducts were synthesized by the Pudovik reaction on the earlier analogy of acetaldehyde– and acetone adducts. The hydroxyphosphonates and hydroxyphosphine oxides were acylated and phosphinoylated/phosphorylated. Due to the steric hindrance in the case of the preparation of the acetone–and ethyl methyl ketone–diethyl phosphite adducts, a two-step procedure was elaborated that was also suitable for the thiophosphinoylation of the adducts. A part of the α-hydroxyphosphonates could be successfully methanesulfonylated. The new derivatives prepared were tested on myeloma and melanoma cells, and it was found that the antiproliferative activity is primarily driven by phosphinoylation, particularly by diphenylthiophosphinoylation. The most promising compound, the diphenylthiophosphinoylated hydroxyphosphine oxide, reduced the viability of the U266 cells to less than 20% after a treatment with 100 µM concentration in a long-term experiment. Conclusions: A subset of the synthesized α-hydroxyphosphonate derivatives exhibited cytotoxic activity, supporting further structural optimization to identify compounds with enhanced biological efficacy. Full article

Bacterial cellulose (BC) is highly valued for biomedical and industrial applications due to its exceptional biocompatibility, strength, and biodegradability. Polyvinyl alcohol (PVA) exhibits favorable characteristics, making it an ideal candidate for hydrogel formulation. In this study, BC–PVA composite hydrogels were synthesized by dissolving 1% w/w BC in ZnCl₂ 3H₂O and 10% w/w PVA in ZnCl₂nH₂O, n = 6, 9, 12, and 15. These solutions were combined at BC:PVA weight ratios of 3:1, 1:1, and 1:3, then crosslinking using a glutaraldehyde–acetone solution before immersion in deionized water. The resulting hydrogels exhibited a dense, tightly packed structure with mild to moderate porosity. FTIR analysis confirmed molecular interactions via a broad, reduced O–H stretching band and the appearance of C-H bending vibrations. The water content and swelling ratio ranged from 88.13% to 94.67% and 437.93% to 997.22%, respectively. At a compressive strain of 30%, the compressive strength ranged from 62.28 kPa to 93.16 kPa. This work introduces a novel and efficient method for preparing BC-PVA hydrogels using ZnCl₂ hydrate solvents. Both the ZnCl₂ hydration level and the BC:PVA ratio significantly influenced the structural, water content, swelling, and mechanical properties, offering tunable materials for biomedical or industrial applications. Full article

Cuminum cyminum (cumin) is widely used as a culinary spice and medicinal plant, yet its endothelial effects remain poorly defined, and viability-only toxicity tests may miss relevant changes. We evaluated whether four C. cyminum extracts (aqueous, methanolic, acetonic, hexane) induce sublethal endothelial injury (SEI), defined as preserved viability with functional, molecular, and morphological alterations. Human microvascular endothelial cells (HMEC-1) were exposed to increasing extract concentrations, and endothelial viability, migration, molecular responses, and cytomorphology were evaluated. Organic extracts (methanolic, acetonic, and hexane) induced endothelial stress and injury-related responses. Methanolic and acetonic extracts caused concentration- and time-dependent cytotoxicity, accompanied by reduced migration, stress-related gene modulation, and marked morphological damage, whereas the hexane extract induced pronounced cytomorphological disruption and strong NOS2 induction. In contrast, the aqueous extract exhibited minimal cytotoxicity and significantly enhanced endothelial migration, together with FGF2 upregulation and moderate NOS2 induction, consistent with a sublethal, pro-migratory phenotype. Overall, extract composition strongly influenced endothelial responses, demonstrating that SEI can occur in the absence of overt cytotoxicity and highlighting the need to incorporate functional endothelial endpoints into the safety evaluation of herbal and plant-derived extracts. Full article