Journal of Inclusion Phenomena and Macrocyclic Chemistry最新文献

Mercury is a frequent, bioaccumulative, extremely toxic pollutant in the environment. Mercury contamination can be accumulated along the food chain and cause a wide range of serious threats to living organisms, and also affect neurological systems and the kidneys. The trace-level detection of heavy and toxic metal ions such as mercury ions is certainly great intense. Chromogenic and fluorogenic recognition of toxic mercury ions has been established to be powerful methods due to their high detection limit, cost-efficiency, simplicity, and applicability in bioimaging. This review will mainly focus on the sensing mechanisms of fluorescent probes that have emerged over the past 5 years, such as PET, ICT, AIE, as well as ring-opening sensing mechanisms.

Stability of inclusion complexes of thymol (a natural flavour) with cucurbit[n]urils was interpreted by using density functional theory with dispersion correction and natural bond orbital analysis. Density functional tight binding computations showed that among different cucurbit[n = 5–8]urils, some inverted diastereoisomers of cucurbit[7]uril can form relatively stable inclusion complexes with thymol in water. From density functional theory computations, it can be seen that non-covalent interaction and electron transfer between thymol and CB[7] offer more stability to the inclusion complex. Theoretically calculated dipole moments and electronic spectra of thymol and the its inclusion complex showed that the inclusion complex can have better solubility and photo-resistance than free thymol.

Graphical abstract

Thymol inclusion into CB[n]: Inclusion of thymol into cucurbit[n]urils (CB[n]) was studied by DFTB + and DFT computations. The doubly-inverted CB[7] (i2-CB[7]) can form more stable inclusion complex (thymol@i2-CB[7]) with thymol than other CB[n].(see figure)

Reactive oxygen species triggered oxidative stress contributes to the pathogenesis of numerous ailments such as myocardial infraction, inflammation, atherosclerosis, and pigmentation disorders. ROS scavengers, particularly natural bioactives are one of the possible options to reduce this stress. However, these bioactives possess certain formulation challenges owing to their poor solubility, stability, and bioavailability. Therefore, the design of a stable formulation that can deal these challenges, while preserving the antioxidant efficacy is of great significance. In this view, the current study was aimed at fabrication of p-Coumaric acid loaded nanosponges employing melt method. The spectroscopy resulting nanosponges were appropriately characterized using Fourier transform infrared spectroscopy, X-ray powder diffraction, differential scanning calorimetry, thermogravimetric analysis, nuclear magnetic resonance, FE-SEM (field emission scanning electron microscopy) and TEM (transmission electron microscopy). The particle size of PCA-CDNS (p-Coumaric acid nanosponges) was in nano range, with low PDI (polydispersity index), acceptable zeta potential and delayed release. Molecular docking studies for PCA using mushroom tyrosinase (TYR) were also carried out. Further, the antioxidant and antityrosinase studies were also performed. In nutshell, the findings herein revealed that encasement of PCA in NS led to an enhancement in efficacy of this bioactive in terms of safety, solubility, and release, while preserving its antioxidant and antityrosinase effects. On the basis of the present results, we expect that PCA nanosponges can be seen as promising carriers for addressing depigmention, particularly associated with ROS overexpression.

A bromophenylpyridine derivative (BH-PY) was designed and synthesized as the guest molecule included in the cavity of cucurbit[8]uril (CB[8]) to form a 2:1 host–guest complex, which displays good room-temperature phosphorescence (RTP) in aqueous solutions. The interaction and optical properties of CB[8] with a guest in aqueous solution were investigated using ¹H NMR spectroscopy, UV–Vis absorbance spectra, fluorescence and phosphorescence spectra and X-ray diffraction analysis in detail. The result showed that the bromophenyl moieties of the two guest molecules are included in the cavity of the CB[8] in a ‘head-to-tail’ stacking way, whereas the other part of BH-PY remains outside the portal to form a 2:1 supramolecular structurce, and supramolecular assemblies were applied for targeted phosphorescent imaging of mitochondria.

In this work, the host ability of four compounds based on the xanthenyl- and thioxanthenyl-fused tricyclic systems, trans‑N,N′‑bis(9‑phenyl‑9‑xanthenyl)cyclohexane‑1,2‑diamine (1,2-DAX), trans‑N,N′‑bis(9‑phenyl‑9‑thioxan-thenyl)cyclohexane‑1,2‑diamine (1,2-DAT), trans‑N,N′‑bis(9‑phenyl‑9‑xanthenyl)-cyclohexane‑1,4‑diamine (1,4-DAX) and trans‑N,N′‑bis(9‑phenyl‑9‑thioxanthenyl)cyclohexane‑1,4‑diamine (1,4-DAT), were assessed and compared when presented with three alkylaromatic systems, namely toluene (TOL), ethylbenzene (EB) and cumene (CUM). When these host compounds were recrystallized from each guest solvent, complexes formed in each instance, with the exception of experiments involving CUM and the 1,4 host analogues, where inclusion did not take place. Guest/guest competition experiments revealed that the 1,2 host analogues were significantly less selective in their behaviours compared with their 1,4 host analogues, with only marginal preferences noted for CUM and TOL in the case of 1,2-DAX and 1,2-DAT, respectively. Selectivities ranged between 49.1‒65.1 and 50.9‒74.8% for each of these 1,2 analogues, while these were between 56.6‒93.9 and 61.2‒85.8% for 1,4-DAX and 1,4-DAT. 1,4-DAX performed optimally in two binary mixtures, where the preference for TOL was 93.9% and for EB 91.3% when the other guest was CUM. The host···guest interactions responsible for guest retention were investigated by means of single crystal diffraction analyses, and the relative thermal stabilities of the crystalline complexes using thermoanalytical experiments. More usually, these techniques explained the preferential behaviour noted for these host compounds in the competition experiments.

Novel neodymium phthalocyaninates based on template condensation of 4-[(4-benzyloxy)phenoxy]- or 4-(1-methyl-1-phenylethyl)phenoxyphthalonitriles with neodymium salts were obtained. The most selective preparation of neodymium sandwich complexes was found to occur with neodymium acetate as a template. The spectroscopic properties of neodymium metal complexes synthesized in organic solvents were studied. It was determined sandwich complexes of neodymium forms a mixture of in "blue" and "green" forms in the solution.

As a special subset of calix[4]arene, calix[4]resorcinarene is an excellent molecular platform which could be modified by introducing functional groups to multiple sites at the upper and lower rims. There are mainly three ways to build functionalized calix[4]resorcinarene derivatives: (1) modification on the C-2 sites of calix[4]resorcinarenes; (2) modification on the phenolic hydroxyl groups of calix[4]resorcinarenes; (3) modification on the bridging methylenes at lower rim of calix[4]resorcinarenes. Functionalized calix[4]resorcinarene derivatives play an important role in the development of self-assembly chemistry, among which hydrogen bonding and metal coordination are the two most common interactions to obtain multicomponent structures. Moreover, due to the excellent topological structures and various active substituents of functionalized calix[4]resorcinarene derivatives, their applications in various fields, such as nanoparticles, catalysts, fluorescent materials, and sensors, have been briefly presented in this paper.

Angiotensin converting enzyme (ACE) inhibitors have recently gained attention as a new class of drug in the therapeutic management of glaucoma. However, the application of eye drops is limited because of their chemical instability in aqueous solutions. To overcome such a problem, cyclodextrins (CDs) were introduced to form inclusion complexes. Three ACE inhibitors, namely, captopril, quinapril and fosinopril (FOS), were chosen and the effect of CDs on their thermal stability in aqueous solutions was investigated. All three drugs formed inclusion complexes of 1:1 stoichiometry with all three natural CDs and the FOS/γCD inclusion complex possessed the highest stability constant, resulting in thermal stability enhancement. Furthermore, the addition of antioxidants could greatly enhance the thermal stability of FOS in the presence of γCD in aqueous solutions. The inclusion complex formation of FOS/γCD was further examined by computational and experimental characterizations. All these characterization results confirmed that FOS and γCD formed a true inclusion complex that provided drug stabilization in the aqueous eye drop medium.

Perovskite solar cells (PSCs) provide attractive prospects for the photovoltaic industry, but the harsh preparation conditions and stability of perovskite materials are still the biggest obstacles to the industrialization of PSCs. This review paper compares the differences in composition and working principle between dye-sensitized solar cells and PSC. It also reviews the optimization and development of electron transport layer, perovskite absorbers and hole transport layer in recent years. By analyzing the crystal morphology, grain size, internal and surface defects of each layer, it also highlights that surface/bulk passivation, composition and interface engineering are used to improve the photoelectric conversion efficiency and the stability of devices. At the same time, the research and development direction of PSC is prospected. It is believed that the industrialization of PSC will be accelerated through the efforts of scientists.

The development of reliable methods for the rapid and selective detection of nitro-explosive were vital concern for national security due to the increasing use of explosive materials in terrorism, military operation safety, industrial and environmental safety control. Here a novel cross-linked supramolecular polymer network (SPN5) was efficiently constructed by pillar[5]arene-based host–guest interactions, which can be used for nitro explosives o-DNB and p-DNB detection. The limits of detection (LODs) of SPN5 for o-DNB and p-DNB were determined as 7.90 × 10⁻⁷ M and 4.40 × 10⁻⁷ M, respectively. Moreover, the detection of o-DNB and p-DNB was also realized in a thin film consisting of the SPN5. This work provided a novel strategy for efficient detection of explosives.