Search Results (3,021)

Dysregulated angiogenesis is involved in cancer and numerous ischemic, autoimmune and inflammatory diseases, prompting extensive research that has yielded a growing array of angiogenesis-modulating molecules used in clinical practice. The dietary phytocomplex of Cruciferous vegetables exhibits multiple biological activities in both in vitro and in vivo models. However, the impact of a myrosinase-activated broccoli extract (MaBE) on angiogenesis, as well as on stromal–endothelial interactions governing endothelial cell behavior, has not yet been explored. We investigated the effects of MaBE on endothelial–stromal crosstalk using endothelial cells (HUVECs) and fibroblasts (HFF1) both individually and in a fibroblast-conditioned medium model. MaBE dose-dependently inhibited endothelial viability, migration and tube formation, key steps of angiogenesis, through interference with the VEGF–VEGFR2 axis. Notably, MaBE also markedly suppressed HFF1-driven HUVEC migration and capillary-like structure formation, likely through the inhibition of fibroblast motility and the downregulation of VEGF and angiogenin signaling in HFF1 cells. Overall, these findings provide new insight into MaBE regulation of pro-angiogenic behaviors in both endothelial cells and fibroblasts while disrupting their functional interplay. By targeting multiple cellular compartments and key mediators involved in angiogenesis, MaBE emerges as a promising bioactive extract with potential relevance for the management of pathological angiogenesis-related disorders. Full article

This study examines the carbonation behavior and CO₂ storage potential of a Ca-rich alkali-activated binder produced entirely from industrial residues-ladle furnace slag (LFS), coal ash (CA), and cement kiln dust (CKD). The system was designed as a one-part alkali-activated material (AAM), with CKD acting as an internal activator, and subjected to ambient curing, water curing, and accelerated CO₂ curing at ambient pressure. Phase evolution, microstructural development, and pore-structure characteristics were investigated using X-ray diffraction, FTIR spectroscopy, DSC–TG analysis, scanning electron microscopy, and X-ray micro-computed tomography, together with measurements of density, water absorption, and compressive strength. Loss-on-ignition measurements combined with chemical analysis were further used to quantify CO₂ uptake and evaluate the degree of carbonation of the binder system. CO₂ curing fundamentally altered the reaction pathway of the binder, shifting it from hydration-dominated to carbonation-controlled phase evolution, leading to the decomposition of calcium-bearing hydrates and complete carbonation of non-hydraulic γ-belite with the formation of vaterite, aragonite, and calcite. These transformations induced pronounced microstructural densification, reflected in a near-doubling of compressive strength (>48 MPa), increased apparent density, reduced water absorption, and simplified pore-network topology. A preliminary carbon footprint assessment indicates that the production of 1 m³ of the developed LFS–CA–CKD concrete generates about 14.36 kg CO₂-eq, while the carbonation process enables significant CO₂ sequestration, resulting in a net negative carbon balance. The results demonstrate that controlled carbonation is an effective post-treatment strategy for waste-derived alkali-activated binders, enabling simultaneous performance enhancement and permanent CO₂ sequestration. Full article

Three new Mn(II) complexes with imidazo[1,2-a]pyridine derivatives were synthesized and structurally characterized in a solid state by single crystal X-ray diffraction, FT-IR and Raman spectroscopy, and thermal analyses. The investigated compounds include [Mn(3-Climpy)₂Cl₂(MeOH)₂] (1), [Mn(3-Brimpy)₂Cl₂(MeOH)₂] (2), and a rare double chloro-bridged coordination polymer [Mn(impy)₂Cl₂]_n (3). Spectroscopic studies were used to assess their potential stability in DMEM (Dulbecco’s Modified Eagle Medium), and encapsulation in Pluronic P-123 micelles improved their solubility in aqueous solution, as well as cellular uptake and selectivity. Biological evaluation revealed negligible cytotoxicity against most cancer and control cell lines, but unexpectedly high activity against pancreatic adenocarcinoma (PANC-1), exceeding that of cisplatin. Complex 2, bearing a bromine substituent in the imidazole ring, showed the strongest effects, correlating with enhanced intracellular accumulation, reactive oxygen species (ROS) generation, and mitochondrial membrane potential disruption. Molecular docking and protein binding assays demonstrated moderate affinity toward human serum albumin (HSA) and transferrin, whereas DNA interaction was weak and non-damaging. These results highlight the structure–activity relationship of Mn(II) imidazo[1,2-a]pyridine complexes and support their potential as targeted redox-active agents against pancreatic cancer, with polymeric encapsulation providing an effective strategy to enhance biological performance. Full article

Serial femtosecond crystallography (SFX) using X-ray free electron lasers (XFELs) enables the determination of room-temperature structures of biological macromolecules without radiation damage. The accuracy of detector geometry parameters, including the crystal-to-detector distance (CTDD), is critical for reliable data processing. In SFX experiments, the CTDD may shift during data collection due to changes in the experimental setup or installation of the sample delivery system. Such CTDD variations can affect the quality of SFX datasets; however, their impact has not been fully elucidated in the context of SFX data processing. In this study, we investigated the influence of CTDD variations on SFX datasets collected at Pohang Accelerator Laboratory X-ray Free Electron Laser (PAL-XFEL) with thermolysin, lysozyme, and glucose isomerase crystals processed by four indexing algorithms. At the optimized CTDD, the distribution of unit cell parameters exhibited a Gaussian pattern; however, it became distorted as the CTDD deviated further from the optimal value. Data analysis indicated that the CTDD tolerance for successful data processing and structure determination was approximately ±3–5 mm from the optimized CTDD. These findings provide insight into indexing behavior in SFX data processing at PAL-XFEL and offer practical guidance for improving data processing efficiency. Full article

Protein crystals are intrinsically hydrated systems, and their structural integrity is strongly influenced by environmental humidity. Understanding the effects of relative humidity (RH) variation on crystal stability is therefore essential for both fundamental research and applied studies. In this work, the structural response of tetragonal hen egg-white lysozyme (HEWL) to controlled RH variation was investigated using in situ X-ray powder diffraction (XRPD). Polycrystalline HEWL samples were subjected to systematic gradual dehydration and rehydration cycles, as well as to non-gradual RH variation protocols. Pawley analysis of the XRPD data enabled monitoring of the evolution of unit cell parameters and unit cell volume as a function of RH. Under all experimental conditions, the tetragonal polymorph (space group P4₃2₁2; a = 79.105 (4) Å, c = 38.231 (2) Å) was preserved. RH variation induced smooth, continuous and anisotropic lattice changes, characterized by a decrease in the a (=b)-axis and a concomitant increase in the c-axis upon dehydration, while rehydration resulted in the opposite behavior. The overall magnitude of lattice variation remained limited (within ±2%), indicating a high degree of structural stability. Partial degradation of crystallinity was observed only after prolonged exposure to low RH levels. These findings demonstrate the remarkable structural resilience of tetragonal HEWL and highlight the effectiveness of in situ XRPD as a powerful tool for probing hydration-driven lattice responses in protein crystals under realistic environmental conditions. Full article

A modular synthetic route has been developed to prepare a new series of cationic ruthenium(II) complexes with electron-withdrawing 1,2-diacylcyclopentadienyl ligands. The 2-acyl-6-hydroxyfulvenes were synthesized from cyclopentadienide and acyl chlorides and converted to Tl(I) cyclopentadienyl salts using Tl₂SO₄/KOH. Transmetalation with [Ru(η⁶-p-cymene)(μ-Cl)Cl]₂ followed by PF₆⁻ metathesis gives the complexes [Ru{η⁵-1,2-C₅H₃(CO–R)₂}(η⁶-p-cymene)][PF₆] (R = t-Bu, p-Tol, p-ClC₆H₄, p-IC₆H₄) in moderate to high yields. The new compounds were characterized by NMR and IR spectroscopy; mass spectrometry and elemental analysis were performed where applicable. X-ray analysis of one of the complexes confirms that electron-deficient Cp ligands retain η⁵-coordination and structural planarity within Ru(II)–arene sandwich architectures, highlighting their potential utility in electronically tunable organometallic frameworks. Full article

Colorectal cancer (CRC) is still a leading cause of cancer-related death worldwide, and often, conventional chemotherapeutics exhibit limited efficacy. The hydroalcoholic leaf extract of Cynara cardunculus subsp. cardunculus (wild artichoke) was investigated for its anticancer potential in CRC and effects on enteric pathogens. Nine phenolic compounds were identified by high-performance liquid chromatography with diode-array detection (HPLC-DAD), and spectrophotometric analyses were applied for total phenolic (TPC: 178.33 mg GAE/g) and total flavonoid (TFC: 52.21 mg CE/g) content quantification. The extract exhibited good antioxidant activity on DPPH (IC₅₀: 21.35 μg/mL), ^−•O₂ (IC₅₀: 1.56 μg/mL), and H₂O₂ (IC₅₀: 314.73 μg/mL) and was found to inhibit the growth of pathogenic enteric bacteria, with Enterococcus faecalis and Staphylococcus aureus being the most sensitive. In CaCo-2 CRC cells, the extract induced a concentration-dependent cytotoxicity (IC₅₀: 13.07 μg/mL at 24 h) through increased production of reactive oxygen species (ROS), upregulation of Nrf2, and induction of apoptosis, as evidenced by elevated p53, Bax, cytochrome c, and caspase-3 levels. No necrosis, measured by lactate dehydrogenase (LDH) release, or toxicity to HFF-1 normal fibroblasts was observed at concentrations up to 50 μg/mL. Additionally, CCE demonstrated synergistic effects with 5-FU (combination index < 0.8). This evidence suggests that CCE exhibits selective antitumor activity and chemosensitizing properties, supporting its possible development as an adjunctive agent in CRC therapy. Full article

Interest in non-centrosymmetric crystalline materials exhibiting second harmonic generation (SHG) has increased due to their potential applications in optical sensing and biosensing. Saccharide-based metal complexes are particularly attractive systems, as chiral sugars can promote non-centrosymmetric crystal packing. In this work, a new lanthanum–β-d-fructose compound, [La(C₆H₁₂O₆)(H₂O)₅]Cl₃ (LaFRUCl), was synthesized using a simple and low-cost method and characterized by single-crystal X-ray diffraction. The compound crystallizes in the orthorhombic space group P2₁2₁2₁ and consists of infinite (La³⁺–fructose)_n chains extending along the [001] direction, forming a one-dimensional Metal–Organic Framework. The nonlinear optical response was evaluated using the Kurtz–Perry powder technique with a Nd:YAG laser (1064 nm) and compared to a sucrose reference. The measured SHG efficiency is comparable to that of previously reported alkaline earth metal–sugar analogs. While the compound’s SHG emission is significant, evaluation of its structural stability under aqueous or physiological conditions is be required before considering biological applications. Full article

Nine new mycophenolic acid derivatives, penicacids O–W (1–9), two first-time reported natural products (10, 11), and five known compounds (12–16), were isolated from a marine-derived fungus Penicillium senticosum RCDB005 found in a South China Sea sediment sample. Their structures were determined using NMR, HRESIMS, and optical rotatory dispersion (ORD) spectra, electronic circular dichroism (ECD) calculations, X-ray crystallography, and modified Mosher’s methods. Eight of these compounds were evaluated for anti-proliferative effects against nine human cancer cell lines and the IC₅₀ values ranged from nM to μM levels. Compounds 5, 7–9 showed potent inhibition activity against MOLM-13 acute myeloid leukemia cells with IC₅₀ values between 0.13 and 1.13 μM. Full article

Derivatives of 4,7-diphenyl-2,1,3-benzothiadiazole are highly stable compounds that fluoresce efficiently both in solutions and in the crystalline state. Thanks to their wide range of remarkable optoelectronic characteristics, they can rightly be called smart materials. This paper presents the results of an investigation into the polymorphism of 4,7-bis(4-(trimethylsilyl)phenyl)-2,1,3-benzothiadiazole (TMS-P-BTD) crystals under weakly and strongly non-equilibrium crystallization conditions from the vapor phase (PVD), solutions, and melt. Using single-crystal X-ray diffraction analysis at room temperature, two new polymorphic crystal modifications have been identified: orthorhombic II (sp. gr. Pnaa, Z/Z′ = 12/1.5) and triclinic III (sp. gr. P-1, Z/Z′ = 8/4). It was determined that the densest polymorph III melts at 154 °C. The least dense orthorhombic polymorph II dominates under kinetic growth conditions, melts independently at 151 °C, but transforms into polymorph III upon prolonged annealing. It has been established that the previously identified monoclinic polymorph I (P2₁/c, Z/Z′ = 32/8) transforms into polymorph III upon heating in the range of 75–110 °C. In the series of polymorphs I→II→III, a blue shift in the fluorescence spectrum maximum is observed: approximately 375 cm⁻¹ for polymorph II and ~635 cm⁻¹ for polymorph III relative to the position of the maximum λ_max,I = 497 nm for polymorph I. The observed spectral-fluorescence features of the TMS-P-BTD crystal polymorphic phases are consistent with the structure of the flattest molecular conformers within the crystal unit cells. Full article

An anthraquinone chromophore displaying a vivid violet color in solution was synthesized and it was thoroughly characterized both spectroscopically and electrochemically, along with its X-ray crystallography. Single crystal X-ray analysis of the chromophore revealed a nearly planar π-conjugated framework with short intermolecular contacts. Cyclic voltammetry revealed two consecutive one-electron reductions, corresponding to the formation of its radical anion and dianion. The spectroelectrochemistry of the chromophore confirmed two distinct and reversible color changes with the stepwise electrochemical reduction. These were quantified via the CIE L a* b* color space. Large optical differences (98%) between the bleached and colored states were observed along with a coloration efficiency of 698 cm²/C. These parameters confirm the anthraquinone is an ideal electrochrome: capable of reversibly switching its colors with applied potential. The three color changes and color bleaching associated with the neutral, radical anion, dianion, and cation, respectively, are also of interest for extending the palette of colors of molecular electrochromes toward panchromatic color tuning with molecular structure for use in smart windows and displays. Full article

Phenothiazine is a heteroaromatic molecule capable of various noncovalent interactions, including halogen bonding and π-stacked association. Despite its broad use in functional materials and pharmaceutical ingredients, a systematic comparison of these interaction modes has been lacking. Here, we report a combined experimental and computational study of intermolecular interactions of phenothiazine with a prototypical halogen-bond (HaB) donor (tetrabromomethane), planar π-electron acceptors (tetracyanopyrazine and tetrafluoro-p-benzoquinone), and multifunctional species capable of both interaction types (iodo- and bromo-3,5-dinitrobenzenes). X-ray structural analysis revealed that CBr₄ forms exclusively C–Br···π halogen bonds with the aromatic rings of phenothiazine, whereas all π-acceptors yield alternating donor–acceptor stacks characterized by multiple short contacts indicative of multicenter interactions. Notably, co-crystals of iodo- and bromodinitrobenzenes with phenothiazine display only π-stacked architectures. Density-functional calculations showed that isolated HaB complexes involving N, S, or π sites of phenothiazine possess comparable binding energies (≈−3 kcal mol⁻¹), whereas π-stacked complexes are substantially stronger (≈−9–12 kcal mol⁻¹). QTAIM, NCI, NBO, and energy-decomposition analyses indicated that while amounts of charge transfer in halogen-bonded and π-stacked complexes are comparable, the enhanced stability of the latter originates primarily from a large dispersion contribution. These results rationalize the solid-state preference for π-stacking over halogen bonding in systems where both motifs are accessible and clarify the hierarchy and physical origin of noncovalent interactions involving phenothiazine, providing guidance for the design of supramolecular assemblies and functional materials based on this versatile electron donor. Full article

Nanotechnology has emerged as a promising option in combating the worsening situation with antibiotic resistance. We studied the antimicrobial effectiveness of four types of green synthesized zinc oxide nanoparticles (ZnO-NPs), obtained via Pluronic-assisted co-precipitation by lavender and thyme essential oils and their praseodymium-doped variants. Resazurin Microtiter Assay was applied to a panel of Gram-positive and Gram-negative bacteria from Risk 1 and 2 groups and the ESKAPE group. In relation to the pro-oxidative features of the ZnO-NPs, the production of superoxide dismutase (SOD) and catalase (CAT) in the tested microorganisms was also investigated, as these enzymes are important participants in the antioxidant defense of the bacterial cell and are considered virulence factors. We hypothesized that the sensitivity of microorganisms to the action of ZnO-NPs is related to their innate levels of antioxidant enzyme activity. The results showed that all types of studied ZnO-NPs had an antibacterial effect against the entire panel of tested strains, but with different potencies. The strongest effect was found for Arthrobacter nicotianae, Oerskovia paurometabola, Bacillus subtilis, and Escherichia coli. Less inhibition was observed for bacteria from Risk group 2 maybe due to their better antioxidant protection, especially for Pseudomonas aeruginosa. Praseodymium doping contributed to enhancing the bactericidal effect. A correlation between susceptibility of bacteria to ZnO-NPs and their antioxidant enzyme activity was observed. Full article

Archeological glass has attracted significant attention in recent years. Its archaeometric study has proven to provide remarkable insights into technological development and relationships among ancient cultures. Thus, ancient glass remains have been recovered from oblivion, and their preservation has become a priority. An extraordinarily well-contextualized collection of ancient glass beads, comprising over 1200 pieces, has been recovered from the archeological site of Pintia (Padilla de Duero, Valladolid, Spain). A large fraction of this collection appears to be well preserved. However, recent detailed studies on its most relevant piece, a Phoenician glass pendant, evidenced the presence of carbonatation processes. Accordingly, an extensive analysis of the preservation state of this collection was required to safeguard it for future generations. Thus, 64 representative samples from this collection, including diverse chronologies, morphologies, and colors, were analyzed by micro-FTIR spectroscopy at the IRIS beamline of the BESSY-II synchrotron (Berlin, Germany), yielding ATR and reflectance spectra. This work, the first micro-FTIR spectroscopy study of a large set of pre-Roman glass beads, provided evidence about the preservation of the glass structure of these pieces, as well as about the presence of crystalline weathering products. Full article