Journal of Inclusion Phenomena and Macrocyclic Chemistry最新文献

We report the crystallographic characterization of three supramolecular complexes involving p-sulfonatocalix[4]arene (SC4) and two different symmetrically shaped cations as guest molecules. Complex I crystallizes in the monoclinic space group C2/m, forming a bilayer structure with bis-imidazolium cations effectively encapsulated within two SC4 cavities, resulting in a stable molecular capsule. Complex II, crystallizing in the triclinic space group P-1, exhibits similar structural features, with bis-imidazolium cations encapsulated by two SC4 molecules within the bilayer arrangement. Both Complexes I and II have the bis-imidazolium cation in a syn conformation relative to the central benzene ring. In contrast, Complex III crystallizes in the monoclinic space group C2/c and contains a Co(III) sarcophagine cation within the SC4 cavity, but without the formation of a molecular capsule. Despite this, it retains the bilayer arrangement, though in a wavy configuration. All structures display water channels containing water molecules in close proximity to atoms at the distances close to hydrogen bonding in an extended packing. Extensive hydrogen bonding between water molecules and SC4 sulfonate groups contributes significantly to the overall stability of the crystal lattice. These findings highlight the versatility of SC4 in accommodating different guest molecules, ranging from imidazolium-based cations to larger metal complexes, and demonstrates the importance of non-covalent interactions in stabilizing the supramolecular architectures.

We have investigated hemicucurbit[6]uril solubility in selected organic solvents and saline aqueous solutions, as well as the influence of pH. Using Density Functional Theory, we calculated the molar Gibbs free energy of hemicucurbit[6]uril in the presence of cations and anions to better understand the effect of pH and salts on solubility.

This study presents a urothelium-on-a-chip platform, an advanced microfluidic system designed to replicate the physiological environment of the bladder’s urothelium. This platform facilitates the co-culture of multiple cell types, specifically human urothelial (SV-HUC) and fibroblast (Hs27) cells, effectively simulating the urothelial layer of the bladder. The urothelium-on-a-chip system consists of three insert modules for cultivating SV-HUC and Hs27 cells interlinked through microfluidic channels. Following fabrication, the functionality of the microfluidic channels and the biocompatibility of the chip were evaluated using fluorescence diffusion assays and live/dead assays under dynamic conditions. Cells were cultured under dynamic flow conditions to enhance the interactions between substances across the insert modules. The fluorescence diffusion assay confirmed that the microfluidic channels connecting the culture inserts function properly. The live/dead assay demonstrated high cell viability during co-culture, with 98.27% viability for SV-HUC cells and 99.65% for Hs27 cells. These outcomes further validate the platform’s suitability for long-term culture under dynamic conditions. These findings indicate that the urothelium-on-a-chip platform holds significant potential for effectively mimicking urothelial conditions and serves as a valuable model for studying urothelial diseases. Future advancements, such as incorporating additional cell types and biomechanical forces, could further enhance its applicability for simulating bladder urothelium.

This study presents a urothelium-on-a-chip platform, an innovative microfluidic system designed to replicate the physiological environment of the bladder. This platform effectively models the bladder mucosa by facilitating the co-culture of multiple cell types, including human urothelial (SV-HUC) and fibroblast (Hs27) cells. The system was employed to investigate urothelial injury, inflammation, and recovery, with a particular emphasis on the anti-inflammatory effects of curcumin in the context of lipopolysaccharide (LPS)-induced inflammation. The urothelium-on-a-chip system consists of three insert modules for culturing SV-HUC and Hs27 cells, interconnected via microfluidic channels. Single-cell (SV-HUC only) monocultures and multi-cell (SV-HUC and Hs27) co-cultures were established on the urothelium-on-a-chip platform. In both groups, inflammation was induced using LPS (1 µg/mL) for 24 h, followed by treatment with curcumin (10 µM) for an additional 24 h to evaluate its anti-inflammatory effects. Supernatants from the two groups were collected, and the levels of inflammatory cytokines IL-1β, IL-6, and TNF-α were quantified using ELISA. LPS treatment significantly increased IL-1β and IL-6 levels while slightly decreasing TNF-α. The co-culture systems exhibited notably higher levels of all three cytokines than the monoculture, indicating that fibroblast-urothelial interactions enhance the inflammatory response. Curcumin treatment following LPS exposure notably reduced cytokine levels under certain conditions. In the monoculture, curcumin completely suppressed IL-1β but did not induce a significant change in TNF-α and IL-6 levels. However, curcumin notably reduced all three cytokine levels in the co-culture system, highlighting its potential to modulate inflammation in a multi-cellular context. The ability to simulate inflammatory processes and assess treatments like curcumin provides a novel approach to researching bladder disease and screening potential therapies.

Nickel hexacyanoferrate (NiHCF) serves as a cathode material capable of adsorbing ammonium ions from sodium-rich solutions. Through a three-step adsorption process, NiHCF demonstrated a reduction in ammonium ion concentration from 200 to 17 mmol/L, demonstrating its efficacy in ammonium recovery and water purification within the framework of nitrogen circular technology.

Here we report on the diverse self-assembly behavior of aminothiacalix[4]arene (ATCA) drop-casted or spin-coated onto a silicon substrate. The nanofilms of ATCA feature the picket-fence domains composed of rod-shaped crystals with the mean size of ca. 700 nm, as well as the ornate patterns composed of interdigitating 3.5-µm grooves and periodically alternating ridge-like framework, with the ridge diameter 90 ± 20 nm and ridge spacing of ca. 3.5 μm. DFT calculation of possible ATCA dimers revealed a favorable arrangement of ATCA monomers either in a face parallel fashion expanding into the 1D channel structure or in a face antiparallel fashion affording the 1D zigzag chain structure. UV/Vis spectroscopy and powder X-ray diffraction data provided further evidence to the existence of thermodynamically favorable π-stacked and hydrogen-bonded ATCA associates in solution and solid state.

Graphical Abstract

New ten tetrakis(benzoxazine) calix[4]resorcinarenes modified by organic amine through Mannich reaction were obtained in this paper. Compounds 2 ~ 11 were characterized by infrared spectroscopies, nuclear magnetic resonance spectroscopies. The structure of compounds 2, 10 and 11 was characterized by single crystal X-ray diffraction. Compound 7 possesses a MIC value of 3.13 μg/mL against S. Aureus, demonstrating a favorable inhibitory effect, and a MIC value of 6.25 μg/mL against E. Coli, likewise showing a good inhibitory effect. The UV and ¹H NMR titration experiments were conducted to explore the host–guest chemistry between compound 10 and acetonitrile molecules, indicating that compound 10 exhibited encapsulation behavior towards acetonitrile molecules through hydrogen bonding interactions. Then Hirshfeld surface analysis showed that H⋅⋅⋅H, C − H⋅⋅⋅O, C − H⋅⋅⋅π, O − H⋅⋅⋅O played an important role in the crystal accumulation of compounds 2, 10 and 11.

Because of the presence of large quantities of flammable and explosive substances, a petrochemical plant requires artificial intelligence (AI)-based monitoring systems to enhance safety and mitigate accident risks. Herein, we demonstrate the feasibility of using microelectromechanical system (MEMS) vibration sensors in petrochemical plants by experimentally comparing their performance with those of conventional vibration sensors on the basis of the prediction accuracy of a one-dimensional time-series convolutional neural network model. In particular, we established a petrochemical plant process simulation facility to effectively collect anomaly data, which is exceptionally rare in real-world petrochemical plants. The petrochemical plant process simulation facility was employed to simulate fixture looseness, and two types of leak conditions as well as normal operation. Then, a MEMS sensor was used to collect six-axis data from both its accelerometer and gyroscope, while a conventional sensor captured only three-axis data from its accelerometer. When considering single-axis data, the MEMS sensor demonstrated superior classification accuracy (85.46%) compared to the conventional vibration sensor (80.94%). Moreover, when multiaxis data were used, with six and three axes from the MEMS and conventional sensors, respectively, both systems achieved similar performance outcomes (MEMS sensor: 99.91%, conventional sensor: 99.94%). These results indicate that MEMS sensors can effectively complement conventional vibration sensors, offering a cost-effective and scalable approach for monitoring petrochemical plants.

Distinct association constants related to including the phenylurea herbicide diuron into β-CD were reported along experiments carried out over the years. From the literature, we found association constants for this particular system corresponding to 125 M⁻¹ (2002), 750 ± 50 M⁻¹(2004), 175.86 ± 4.21 M⁻¹(2012), and 269.73 M⁻¹ (2019). Since the association constants are essential parameters for CD-based systems, we decided to apply the recently developed theoretical multi-equilibrium GFN2-xTB quantum approach to determine the most representative value for diuron included in β-CD. Within the additional investigation of linuron and neburon, other phenyl urea herbicides comprising chlorine atoms attached to the aromatic ring investigated within the experimental study published in 2002, we apply our theoretical approach to treat 16,308 arrangements in aqueous media. We concluded that an experimental binding constant equal to 750 ± 50 M⁻¹ is coherent to the diu@β-CD system. Furthermore, the GFN2-xTB/multi-equilibrium approach suggests that K (lin@β-CD) < K(neb@β-CD) < K (diu@β-CD) and distinct guest orientations contribute to each binding constant in solution.

Graphical Abstract

Two new zinc(II) coordination polymers [Zn(bpba)₂(NO₃)₂]_n (1) and [Zn(bpba)(SO₄)]_n•2nH₂O•nDMF (2) were successfully synthesized by reacting zinc(II) ions with bis(4-pyridyl)benzylamine (bpba) containing different counter anions (NO₃⁻ and SO₄²⁻). The resulting polymers were fully characterized using various experimental techniques: single-crystal X-ray diffraction analysis, elemental analysis, infrared spectra, ultraviolet/visible spectra, and thermogravimetric analysis. Single-crystal X-ray analyses revealed that the zinc(II) ions in 1 and 2 are tetra-coordinated and adopt a distorted tetrahedral geometry. Polymer 1 exhibits a one-dimensional helical chain structure, which extends into two-dimensional supramolecular networks through hydrogen bonding and C-H•••π interactions. Polymer 2 adopts a three-dimensional network structure resulting from the coordination of zinc(II) and sulfate ions as well as bpba ligands. An investigation of the solid-state photoluminescence properties of the polymers at room temperature revealed that their emissions were redshifted compared with those of the free ligand, which is attributed to metal-perturbed intra-ligand charge transfer.