Search Results (133)

The crystal structures of the 2-amino-5-halogenopyridines (halogen = Cl (1), Br (2)) and 2,3-diamino-5-halogenopyridines (halogen = Cl (3), Br (4)) were compared with respect to their intermolecular interactions. An ab-initio-based method for evaluating the interaction energies between molecules was employed to estimate the driving forces of crystal formation. As a result, regularities in crystal structure organization were identified. For compounds 1 and 2, a dimeric building unit is formed by two N–H…N_pyr hydrogen bonds. These dimers are further connected to neighboring units by C–H…π, C–H…N, N…X (X = Cl, Br), and non-specific interactions. The aforementioned intermolecular interactions give rise to layered structures that are similar but not isotypical. No significant contributions from π–π or N–H…N(H₂) interactions are observed in 1 and 2. The structures of 3 and 4 are isotypical and crystallize in the non-centrosymmetric space group P2₁2₁2₁. The most important intermolecular interactions are N–H…N_pyr, N–H…N(H₂), and stacking interactions. These interactions lead to identical columnar-layered structures in both 3 and 4. No significant contributions from halogen bonds of the type N…X (X = Cl, Br) are found in 3 and 4. Full article

Polyoxometalate (POM)-type supramolecular materials have unique structures and hold immense potential for development in the fields of biomedicine, information storage, and electrocatalysis. In this study, (NH₄)₃ [AlMo₆O₂₄H₆]·7H₂O was employed as a polyacid anion template, pentacyclic imidazole molecules served as organic ligands, and the moderate-temperature hydrothermal and natural evaporation methods were used in combination for the design and synthesis of two octamolybdenum-oxo cluster (homopolyacids containing molybdenum-oxygen structures as the main small-molecular structures)-based organic–inorganic hybrid compounds, [(C₃N₂H₅)(C₃N₂H₄)][(β-Mo₈O₂₆H₂)]_0.5 (1) and {Zn(C₃N₂H₄)₄}{[(γ-Mo₈O₂₆)(C₃N₂H₄)₂]_0.5}·2H₂O (2). Structural and property characterization revealed that both compounds crystallized in the P-1 space group with relatively stable three-dimensional structures under the action of hydrogen bonding. Upon temperature stimulation, the [Zn(C₃N₂H₄)₄]²⁺ cation and water molecules in 2 exhibited obvious oscillations, leading to significant dielectric anomalies at approximately 250 and 260 K when dielectric testing was conducted under heating conditions. Full article

Neutrophils, accounting for 50–70% of circulating leukocytes, exhibit remarkable plasticity in tumor biology. Depending on tumor type and microenvironmental cues, they can exert either anti-tumor or pro-tumor effects. During tumor initiation, neutrophils exposed to chronic inflammation secrete cytokines and oncogenic microRNAs that promote genomic instability and malignant transformation. In tumor progression, neutrophils adopt context-dependent phenotypes and execute diverse functions, including polarization into anti-tumor (N1) or pro-tumor (N2) subsets; secretion of inflammatory and angiogenic mediators; formation of neutrophil extracellular traps (NETs); production of reactive oxygen and nitrogen species (e.g., H₂O₂ and nitric oxide); and modulation of immune cell infiltration and function within the tumor microenvironment. During metastasis, neutrophils facilitate cancer dissemination through three principal mechanisms: (1) promoting epithelial–mesenchymal transition (EMT) via inflammatory signaling, adhesion molecule interactions, and lipid metabolic support; (2) establishing pre-metastatic niches by remodeling distant organ stroma through NETs and matrix metalloproteinases; and (3) reactivating dormant tumor cells in response to chronic inflammation, viral infection, or stress hormones. Collectively, neutrophils function as central regulators across all stages of tumor evolution, influencing cancer growth, immune evasion, and metastatic progression. This review aims to provide a comprehensive synthesis of neutrophil-mediated mechanisms in the tumor microenvironment and highlight emerging strategies for neutrophil-targeted cancer therapy. Full article

The heat shock protein B8 (HSPB8) is one of the small heat shock proteins (sHSP or HSPB) and is a ubiquitous protein in various organisms, including humans. It is highly expressed in skeletal muscle, heart, and neurons. It plays a crucial role in identifying misfolding proteins and participating in chaperone-assisted selective autophagy (CASA) for the removal of misfolded and damaged, potentially cytotoxic proteins. Mutations in HSPB8 can cause distal hereditary motor neuropathy (dHMN), Charcot–Marie–Tooth (CMT) disease type 2L, or myopathy. The disease can manifest from childhood to mid-adulthood. Most missense mutations in the N-terminal and α-crystallin domains of HSPB8 lead to dHMN or CMT2L. Frameshift mutations in the C-terminal domain (CTD), resulting in elongation of the HSPB8 C-terminal, cause myopathy with myofibrillar pathology and rimmed vacuoles. Myopathy and motor neuropathy can coexist. HSPB8 frameshift mutations in the CTD result in HSPB8 mutant aggregation, which weakens the CASA ability to direct misfolded proteins to autophagic degradation. Cellular and animal models indicate that HSPB8 mutations drive pathogenesis through a toxic gain-of-function mechanism. Currently, no cure is available for HSPB8-associated neuromuscular disorders, but numerous therapeutic strategies are under investigation spanning from small molecules to RNA interference to exogenous HSPB8 delivery. Full article

The EFR3 (Eighty-Five Requiring 3) protein and its homologs are rather poorly understood eukaryotic plasma membrane peripheral proteins. They belong to the armadillo-like family of superhelical proteins. In higher vertebrates two paralog genes, A and B were found, each expressing at least 2–3 protein isoforms. EFR3s are involved in several physiological functions, mostly including phosphatidyl inositide phosphates, e.g., phototransduction (insects), GPCRs, and insulin receptors regulated processes (mammals). Mutations in the EFR3A were linked to several types of human disorders, i.e., neurological, cardiovascular, and several tumors. Structural data on the atomic level indicate the extended superhelical rod-like structure of the first two-thirds of the molecule with a typical armadillo repeat motif (ARM) in the N-terminal part and a triple helical motif in its C-terminal part. EFR3s’ best-known molecular function is anchoring the giant phosphatidylinositol 4-kinase A complex to the plasma membrane crucial for cell signaling, also linked directly to the KRAS mutant oncogenic function. Another function connected to the newly uncovered interaction of EFR3A with flotillin-2 may be the participation of the former in the organization and regulation of the membrane raft domain. This review presents EFR3A as an intriguing subject of future studies. Full article

In this study, a millimeter-scale N/P-doped carbonaceous catalyst was synthesized via facile carbonization of the N/P-doped resin at 800 °C (NPCR-800). This work aimed to investigate the performance of the NPCR-800 catalyst in heterogeneous catalytic ozonation and the mechanism of reactive oxygen species (ROS) generation. The NPCR-800 achieved the highest oxalic acid (OA) degradation efficiency of 91% within 40 min. The first-order kinetics of OA degradation in the NPCR-800/O₃ system was approximately twelve and three times higher than that in the O₃ and O₃/GAC system, respectively. In addition to excellent catalytic ozonation performance, the NPCR catalyst also exhibited good reusability and salt tolerance. The dominant ROS were identified by the electronic spin response and free radical quantitative experiments, being responsible for oxalic acid degradation in NPCR-800/O₃ system. The effect of the doped N and P elements on enhancing the catalytic activity was understood, what was ascribed to the efficient reaction of the O₃ molecule with the active site of the graphitic N, defect site and carbonyl/carboxyl groups of NPCR to generate the hydroxyl radical and singlet oxygen. A type of metal-free catalytic ozonation strategy was developed in this work, which is promising in the practical treatment of the refractory organic pollutants. Full article

N-containing carbon-based materials have been employed with claimed improved performance as an adsorbent of acidic molecules, volatile organic compounds (VOC), and metallic ions; catalyst; electrocatalyst; and supercapacitor. In this context, the present work provides valuable insights into the preparation of N-doped activated carbons (ACs) by thermal treatment in NH₃ atmosphere (ammonization). A commercial AC was submitted to two kinds of pretreatment: (i) reflux with dilute HNO₃; (ii) thermal treatment up to 800 °C in inert atmosphere. The original and modified ACs were subjected to ammonization up to different temperatures. ACs with N content up to ~8% were achieved. Nevertheless, the amount and type of inserted nitrogen depended on ammonization temperature and surface composition of the starting material. Remarkably, oxygenated acidic groups on the surface of the starting material favored nitrogen insertion at low temperatures, with formation of mostly aliphatic (amines, imides, and lactams), pyridinic, and pyrrolic nitrogens. In turn, high temperatures provoked the decomposition of labile aliphatic functions. Therefore, the AC prepared from the sample pre-treated with HNO₃, which had the highest content of oxygenated acidic groups among the materials submitted to ammonization, presented the highest N content after ammonization up to 400 °C but the lowest content after ammonization up to 800 °C. Full article

Palladium phthalocyanine (PdPc) and palladium phthalocyanine integrated with tin–zinc oxide (PdPc:SnZnO) were prepared using a simple chemical approach, and their structural and morphological properties were identified using X-ray diffraction, energy dispersive X-ray analysis, scanning electron microscopy, and transmission electron microscopy techniques. The PdPc:SnZnO nanohybrid revealed a polycrystalline structure combining n-type metal oxide SnZnO nanoparticles with p-type organic PdPc molecules. The surface morphology exhibited wrinkled nanofibers decorated with tiny spheres and had a large aspect ratio. The thin film revealed significant optical absorption within the ultraviolet and visible spectra, with narrow band gaps measured at 1.52 eV and 2.60 eV. The electronic characteristics of Al/n-Si/PdPc/Ag and Al/n-Si/PdPc:SnZnO/Ag Schottky diodes were investigated using the current–voltage dependence in both the dark conditions and under illumination. The photodiodes displayed non-ideal behavior with an ideality factor greater than unity. The hybrid diode showed considerably high rectification ratio of 899, quite a low potential barrier, substantial specific photodetectivity, and high enough quantum efficiency, found to be influenced by dopant atoms and the unique topological architecture of the nanohybrid. The capacitance/conductance–voltage dependence measurements revealed the influence of alternative current signals on trapped centers at the interface state, leading to an increase in charge carrier density. Full article

Developing a new type of circularly polarized luminescent active small organic molecule that combines high fluorescence quantum yield and luminescence dissymmetric factor in both solution and solid state is highly challenging but promising. In this context, we designed and synthesized a unique triarylborane-based [2.2]paracyclophane derivative, m-BPhANPh₂-Cp, in which an electron-accepting [(2-dimesitylboryl)phenyl]ethynyl group and an electron-donating N,N-diphenylamino group are introduced into two different benzene rings of [2.2]paracyclophane. Owing to the electronic effect of these two substituents, this compound can display charge-transfer emission with large Stokes shifts (∆υ = 4.23 − 8.20 × 10³ cm⁻¹) and fair quantum yields (Φ_F = 0.15 − 0.37) in solutions. In addition, this compound can emit strong blue fluorescence in the solid state with quantum yields that are even much higher than in solution (Φ_F up to 0.64 in powder and spin-coated film). Moreover, the enantiomeric forms of m-BPhANPh₂-Cp can show strong CPL signals in both dilute solution and solid state with |g_lum|s up to 9.6 × 10⁻³ and 5.4 × 10⁻³, respectively. Thus, it is possible to achieve tunable CPL from blue to yellow in solution with high B_CPLs ranging from 56.7 to 26.6 M⁻¹ cm⁻¹ and intense blue CPL combing high Φ_F and |g_lum| in the solid state. Full article

Polymer-based aqueous redox flow batteries (RFBs) are attracting increasing attention as a promising next-generation energy storage technology due to their potential for low cost and environmental friendliness. The search for new redox-active organic compounds for incorporation into polymer materials is ongoing, with anolyte-type compounds in high demand. In response to this need, we have synthesized and tested a range of new water-soluble redox-active s-tetrazine derivatives, including both low molecular weight compounds and polymers with different architectures. S-tetrazines are some of the smallest organic molecules that can undergo a reversible two-electron reduction in protic media, making them a promising candidate for anolyte applications. We have successfully modified linear polyacrylic acid and poly(N-isopropylacrylamide-co-acrylic acid) microgels with pendent 1,2,4,5-tetrazine groups. Electrochemical testing has shown that the new tetrazine-containing monomers and, importantly, the water-soluble redox polymers, both linear and microgel, demonstrate the chemical reversibility of the reduction process in an aqueous solution containing acetate buffer. This expands the range of water-soluble anodic materials suitable for water-based organic RFBs. The reduction potential value can be adjusted by changing the substituents in the tetrazine core. It is also worth noting that the choice of electrode material plays an important role in the kinetics of the tetrazine reaction: the use of carbon electrodes is particularly beneficial. Full article

Near-infrared light-triggered photocatalytic water treatment has attracted significant attention in recent years. In this novel research, rational sonochemical fabrication of Ag₂S/g-C₃N₄ nanocomposites with various compositions of Ag₂S (0–25) wt% was carried out to eliminate hazardous rhodamine B dye in a cationic organic pollutant model. g-C₃N₄ sheets were synthesized via controlled thermal annealing of microcrystalline urea. However, black Ag₂S nanoparticles were synthesized through a precipitation-assisted sonochemical route. The chemical interactions between various compositions of Ag₂S and g-C₃N₄ were carried out in an ultrasonic bath with a power of 300 W. XRD, PL, DRS, SEM, HRTEM, mapping, BET, and SAED analysis were used to estimate the crystalline, optical, nanostructure, and textural properties of the solid specimens. The coexistence of the diffraction peaks of g-C₃N₄ and Ag₂S implied the successful production of Ag₂S/g-C₃N₄ heterojunctions. The band gap energy of g-C₃N₄ was exceptionally reduced from 2.81 to 1.5 eV with the introduction of 25 wt% of Ag₂S nanoparticles, implying the strong absorbability of the nanocomposites to natural solar radiation. The PL signal intensity of Ag₂S/g-C₃N₄ was reduced by 40% compared with pristine g-C₃N₄, implying that Ag₂S enhanced the electron–hole transportation and separation. The rate of the photocatalytic degradation of rhodamine B molecules was gradually increased with the introduction of Ag₂S on the g-C₃N₄ surface and reached a maximum for nanocomposites containing 25 wt% Ag₂S. The radical trapping experiments demonstrated the principal importance of reactive oxygen species and hot holes in destroying rhodamine B under natural solar radiation. The charge transportation between Ag₂S and g-C₃N₄ semiconductors proceeded through the type I straddling scheme. The enriched photocatalytic activity of Ag₂S/g-C₃N₄ nanocomposites resulted from an exceptional reduction in band gap energy and controlling the electron–hole separation rate with the introduction of Ag₂S as an efficient photothermal photocatalyst. The novel as-synthesized nanocomposites are considered a promising photocatalyst for destroying various types of organic pollutants under low-cost sunlight radiation. Full article

Model spherical polystyrene particles are studied to understand the interactions of microplastics with organic pollutants. Analysis of the experimental results presented in the literature is complicated since researchers use different types and concentrations of particles, durations of tests, etc. In addition, there is little information on the effect of the structure of the surface layer of polystyrene particles on the processes under study, and the question of the effect of the shape of polystyrene particles remains open. Here, we present the first results of a model experiment to study the effect of the shape and structure of the surface layer of polystyrene microspheres and non-spherical particles of 2 to 5 μm in size on the sorption properties in relation to model molecules of rhodamine B as a model organic pollutant. The properties of both the initial model polystyrene particles and the modified ones were studied by optical, transmission electron, and atomic force microscopy, as well as using the Brunauer–Emmett–Teller method (BET). The sorption process was studied by spectrophotometry, and the analysis of sorption curves was carried out using the Langmuir model. It is shown that the shape of polystyrene model particles does not have a significant effect on the sorption capacity. At the same time, the sorption processes of rhodamine B molecules are determined by the structure of the surface layer, which can be changed, for example, by exposing the polystyrene microspheres to N,N′-dimethylformamide. Full article

Extracorporeal membrane oxygenation (ECMO) is a life-saving intervention for patients with circulatory and/or pulmonary failure; however, the rate of complications remains high. ECMO induces systemic inflammation, which may activate and damage the endothelium, thereby causing edema and organ dysfunction. Advancing our understanding in this area is crucial for improving patient outcomes during ECMO. The goal of this review is to summarize the current evidence of the effects of ECMO on endothelial activation and damage in both animals and patients. PubMed and Embase databases were systematically searched for both clinical and animal studies including ECMO support. The outcome parameters were markers of endothelial activation and damage or (in)direct measurements of endothelial permeability, fluid leakage and edema. In total, 26 studies (patient n = 16, animal n = 10) fulfilled all eligibility criteria, and used VA-ECMO (n = 13) or VV-ECMO (n = 6), or remained undefined (n = 7). The most frequently studied endothelial activation markers were adhesion molecules (ICAM-1) and selectins (E- and P-selectin). The levels of endothelial activation markers were comparable to or higher than in healthy controls. Compared to pre-ECMO or non-ECMO, the majority of studies showed stable or decreased levels. Angiopoietin-2, von Willebrand Factor and extracellular vesicles were the most widely studied circulating markers of endothelial damage. More than half of the included studies showed increased levels when compared to normal ranges, and pre-ECMO or non-ECMO values. In healthy animals, ECMO itself leads to vascular leakage and edema. The effect of ECMO support in critically ill animals showed contradicting results. ECMO support (further) induces endothelial damage, but endothelial activation does not, in the critically ill. Further research is necessary to conclude on the effect of the underlying comorbidity and type of ECMO support applied on endothelial dysfunction. Full article

Epitranscriptomics is the study of modifications of RNA molecules by small molecular residues, such as the methyl (-CH₃) group. These modifications are inheritable and reversible. A specific group of enzymes called “writers” introduces the change to the RNA; “erasers” delete it, while “readers” stimulate a downstream effect. Epitranscriptomic changes are present in every type of organism from single-celled ones to plants and animals and are a key to normal development as well as pathologic processes. Oncology is a fast-paced field, where a better understanding of tumor biology and (epi)genetics is necessary to provide new therapeutic targets and better clinical outcomes. Recently, changes to the epitranscriptome have been shown to be drivers of tumorigenesis, biomarkers, and means of predicting outcomes, as well as potential therapeutic targets. In this review, we aimed to give a concise overview of epitranscriptomics in the context of neoplastic disease with a focus on N¹-methyladenosine (m¹A) modification, in layman’s terms, to bring closer this omics to clinicians and their future clinical practice. Full article

To study the impact of faults on the enrichment and mobility of shale oil in the Gulong area, representative rock samples were selected in this paper. Based on geochemical data and chemical kinetics methods, coupled with shale oil enrichment and mobility analysis techniques, the shale oil generation quantity and in situ oil content were evaluated from the perspectives of shale oil generation and micro migration, and the mobility of shale oil was revealed. At the same time, the hydrocarbon expulsion efficiency (HEE) of shale was qualitatively and quantitatively characterized, combined with the development of faults. The research results indicate that the study area mainly develops organic-rich felsic (ORF)/organic-containing felsic (OCF) shale, their proportion in both wells exceeds 65%, and the resource amount is the largest in this type of lithofacies. The development of a fault controls the enrichment of shale oil, and the in situ oil content and oil saturation index (OSI) of the shale in well Y58, which is close to the fault, are significantly worse than those in well S2. Well Y58 has 9.52 mg/g and 424.83 mg/g TOC respectively, while well S2 has 11.34 mg/g and 488.73 mg/g TOC respectively. The fault enhanced the migration of shale oil, increasing the efficiency of oil expulsion. As a result, the components with weak polarity or small molecules, such as saturated hydrocarbons and low carbon number n-alkanes, are prone to migration, reducing the mobility of shale oil. Full article