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External electric field induced phase transition of 2,2′-azobis(5-azidotetrazole) and its precursor 2-amino-5-azidotetrazole.

Among all the CL-20/HMX-based energetic composites, CL-20/HMX/PVAc sample 1 possesses the highest maximum burn pressure value of 33.3 kPa.

The effect of an external electric field on the crystal and electronic structures, Hirshfeld surfaces, hydrogen-bonding network, mechanical properties, vibrational properties and initial decomposition mechanisms of a series of chain-catenated N

The distortion angles of two energetic pentazolate salts (N5−)2DABTT2+ and N5−GU+.

Chemical investigation of the Penicillium sp. SCSIO 41038 led to the isolation and characterization of one new cyclopiazonic acid-type alkaloid, speradine I (1), and one new phloroglucinol derivative, speradine J (8), along with 13 known compounds. Their structures were determined on the basis of extensive spectroscopic analysis, and by a comparison with data from the literature. All the compounds were evaluated for their antitumor (22Rv1 and PC-3) and enzyme inhibitory activity against acetylcholinesterase (AChE) in vitro.

The proinflammatory cytokines interleukin-1β (IL-1β) and tumor necrosis factor-α (TNF-α) are involved in the corneal inflammatory response and wound healing following corneal injuries. However, the mechanism by which proinflammatory cytokines modulate corneal epithelial wound healing remains unclear. In this study, we found that IL-1β or TNF-α was transiently elevated during corneal epithelial wound healing in mice. After corneal epithelial debridement, persistent treatment with IL-1β or TNF-α restrained the level of phosphorylated signal transducer and activator of transcription 3 (p-STAT3) and boosted the level of cell cycle inhibitor p16Ink4a , resulting in impaired corneal epithelial repair. When p16Ink4a was deleted, the p-STAT3 level in corneal epithelium was enhanced and corneal epithelial wound healing was clearly accelerated. In diabetic mice, IL-1β, TNF-α, and p16Ink4a appeared a sustained and strong expression in the corneal epithelium, and p16Ink4a knockdown partially reverted the defective diabetic corneal epithelial repair. Furthermore, immunoprecipitation proved that p16Ink4a interacted with p-STAT3 and thus possibly suppressed the STAT3 activity. Our findings revealed a novel mechanism that the proinflammatory cytokines modulate corneal epithelial wound healing via the p16Ink4a -STAT3 signaling.

The density functional theory (DFT) was applied to investigate the structure, optical properties, and non-bonded interactions of the cyclo-pentazolate salt [Mg(H2O)6(N5)2]·4H2O in the pressure range of 0–100 GPa. The results show that there is a structural transition at the pressure of 64 GPa, which has not been found in the experiments. As the pressure increases, the band gap gradually decreases with a sudden increase at the structural transition point. The analysis of DOS presents that the electronic localization in the crystal gradually weakens under the pressure. The structural transition point also exists in the hydrogen bonds and the Hirshfeld surfaces under compression. The absorption spectra of the cyclo-pentazolate salt at high pressures show some strong bands in the fundamental absorption region. The increasing pressure helps to improve the photoelectric performances of the crystal. Our studies are expected to provide a new understanding of the structural transition of the novel energetic materials under high pressures.

Allergic rhinitis (AR) is a nasal mucosal inflammatory disease mediated by environmental allergens. At present, the relationship between the IL-33/ST2 axis, ERK1/2 pathway and AR progression needs further exploration. In our study, an AR model was constructed in vitro by treating HNEpC cells with Der p1. qRT-PCR was applied to assess the mRNA levels of IL-33, ST2, TNF-α, IL-6, and IL-8. Western blotting was used to measure the protein levels of IL-33, ST2, and the downstream proteins p-ERK1/2, ERK1/2, p-RSK, and RSK. IL-6, IL-8, IL-33, and TNF-α protein levels in cell supernatants were evaluated by ELISA. Flow cytometry was performed to check cell apoptosis of HNEpC in the presence or absence of Der p1. Our results indicate that the relative levels of IL-33, ST2, TNF-α, IL-6, and IL-8 were increased significantly in the AR model group. The above effects were notably reversed after transfection with shIL-33 or shST2. IL-33 stimulation further resulted in the increase in both ST2 and inflammation-associated cytokines, and these effects were restored after shST2 treatment. Also, the levels of inflammatory factors induced by IL-33 stimulation or ST2 overexpression were reversed after applying an ERK1/2 pathway blocker. In conclusion, IL-33/ST2 mediated inflammation of nasal mucosal epithelial cells by inducing the ERK1/2 pathway.

Background: Hypopharyngeal carcinoma is the worst type of head and neck squamous cell carcinoma. It is necessary to identify the key molecular targets related to the carcinogenesis and development of hypopharyngeal carcinoma. Methods: Differentially expressed lncRNAs in hypopharyngeal carcinoma were selected by microarray, and lncRNA-associated proteins were found by RIP assay. Colony formation, CCK-8, wound healing and Transwell assays were performed to detect the effects of lncRNA and its associated protein on cell proliferation and migration in vitro. Downstream pathways of lncRNA and its associated protein were detected by WB. Through a subcutaneous tumor model, the effects of lncRNA and its associated protein on cell proliferation were detected. The expressions of lncRNA and its associated protein in hypopharyngeal cancer tissues were detected by qRT-PCR and immunohistochemistry assays, respectively, and survival analyses were performed by Kaplan-Meier curve. Results: A total of 542 and 265 lncRNAs were upregulated and downregulated in microarrays, respectively. LncRNA NR120519 was upregulated and promoted cell proliferation and migration of hypopharyngeal carcinoma in vitro and cell proliferation in vivo. RIP and WB assays showed that KRT17 was associated with and blocked by NR120519.The silencing of KRT17 promoted cell proliferation and the migration of hypopharyngeal carcinoma in vitro and cell proliferation in vivo by activating the AKT/mTOR pathway and epithelial-mesenchymal transformation (EMT). Finally, the NR120519 high expression and KRT17 low expression groups showed shorter overall survival. Conclusion: NR120519 activated the AKT/mTOR pathway and EMT by blocking KRT17 to promote cell proliferation and the migration of hypopharyngeal carcinoma.

Two new azaphilone compounds, daldinins G (1) and H (2), together with nine known compounds daldinin D (3), sargassopenilline B (4), austalide V (5), austalide K (6), austalide P (7), austalide P acid (8), austalide H (9), 13-O-deacetyaustalide I (10), and 17-O-demethylaustalide B (11), were isolated from the soft coral-derived fungus Penicillium glabrum glmu003. The new structures of 1 and 2 were elucidated on the basis of 1D and 2D NMR, mass spectra, and electronic circular dichroism (ECD) data analysis. Compound 5 showed weak inhibitory activity against pancreatic lipase (PL) with IC50 value of 23.9 μg/mL.

Background Chronic rhinosinusitis (CRS) is a multifactorial inflammatory disease characterized by high prevalence and morbidity, and little is known about the mechanisms that underlie its pathogenesis. Objective This study focuses on the effect of T-box 1 (TBX1) on the epithelial–mesenchymal transition (EMT) and inflammation of CRS via the transforming growth factor (TGF)β-Smad2/3 signaling pathway. Methods CRS mice models were established by Merocel nasal packing material, followed by the streptococcus pneumoniae cultivation. The expression levels of TBX1 in the sinus mucosa tissues of mice were measured accordingly. The successfully modeled mice were subsequently injected with TBX1 mimic or TBX1 inhibitor and the TGFβ-Smad2/3 signaling pathway inhibitor (SB-431542) to elucidate the influence of TBX1 on EMT and inflammation in CRS, with the expression of the EMT-related factors (E-cadherin, Vimentin, alpha-smooth muscle actin [α-SMA]), Th1 cytokines (interleukin [IL]-2, interferon-γ), and Th2 cytokines (IL-4, IL-8, total immunoglobulin E) assayed. Results TBX1 expression exhibited upregulated levels in the sinus mucosa tissues of the mice. In addition, TBX1 downregulation was found to inhibit the expression of TGFβ as well as the extent of Smad2 and Smad3 phosphorylation. Silencing TBX1 was shown to elevate the expression of Th1 cytokines and E-cadherin, while diminishing expression of Th2 cytokines, Vimentin and α-SMA. Conclusions Taken together, the key findings of our study highlight the inhibitory role of TBX1 in the process of EMT and inflammation in CRS mice via the inhibition of the TGFβ-Smad2/3 signaling pathway, underlining the promise of TBX1 as a potential target for CRS therapy.

A new griseofulvin derivative, eupenigriseofulvin (1), together with six known compounds, griseofulvin (2), dechlorogriseofluvin (3), dechloroisogriseofulvin (4), trichopyrone (5), 2-(4-hydroxyphenyl)-ethanol (6), and 1-phenylethane-1,2-diol (7), were isolated from the EtOAc extract of Eupenicillium sp. SCSIO41208. The structures of these compounds were elucidated by spectroscopic methods including NMR and mass spectrometry. The absolute configuration of 1 was determined on the basis of electronic circular dichroism (ECD) data analysis.

Four new steroids derivatives, namely arthriniumsteroids A − D (1–4), together with two known compounds, were isolated from the soft coral-derived fungus Simplicillium lanosoniveum SCSIO41212. Their structures were elucidated by spectroscopic analysis and by comparison with those reported in the literature. The absolute configuration of 2 was confirmed by single-crystal X-ray diffraction. In bioassay, all compounds showed weak inhibitory activities against lipopolysaccharide (LPS)-induced nitric oxide (NO) production in RAW 264.7 cells

Four undescribed polyketide derivatives, named arthproliferins A-D (1-4), and one undescribed phenylspirodrimane derivative, named arthproliferin E (7), along with 11 known metabolites (5, 6, 8-16) were isolated from the soft coral-associated fungus Stachybotrys chartarum SCSIO41201. Their structures were determined through spectroscopic methods, X-ray crystallography, and ECD analysis. Compounds 1 and 3-15 were evaluated for their cytotoxic, and antibacterial activities. Among them, compounds 1 and 15 displayed moderate inhibitory activity against methicillin-resistant Staphylococcus aureus ATCC 29213 with an MIC value of 78 and 39 µg/mL, respectively. Furthermore, compound 15 displayed strong cytotoxic activities against the tested cell line with IC50 values less than 39 nM.

Photoluminescent poly(urethane-acrylate) (PUA) nanowires are designed and synthesized through copolymerization of a presynthesized-europium (Eu) complex with active vinyl groups and a vinyl functionalized PUA macromonomer matrix, initiated by azobisisobutyronitrile. This procedure provides a method to prepare PUA-Eu nanowires through in situ polymerization. Based on this, a series of PUA-Eu nanowires with diameters of 80-300 nm are successfully obtained in templates of anodized aluminum oxide by in situ polymerization. The obtained PUA-Eu nanowires display different morphologies such as sharp, round, and flat head by controlling the casting conditions. Furthermore, the PUA-Eu nanowires exhibit unique luminescence properties provided through Eu(III) elements, and the luminescence intensity significantly enhances with the increase in Eu complex concentration. PUA-Eu nanowires have longer fluorescence lifetimes than that of Eu complexes and PUA-Eu plates.

The proinflammatory cytokines interleukin-1β (IL-1β) and tumor necrosis factor-α (TNF-α) are involved in the corneal inflammatory response and wound healing following corneal injuries. However, the mechanism by which proinflammatory cytokines modulate corneal epithelial wound healing remains unclear. In this study, we found that IL-1β or TNF-α was transiently elevated during corneal epithelial wound healing in mice. After corneal epithelial debridement, persistent treatment with IL-1β or TNF-α restrained the level of phosphorylated signal transducer and activator of transcription 3 (p-STAT3) and boosted the level of cell cycle inhibitor p16

Two new polyphenols, talaversatilis A (1) and B (2), together with fifteen known compounds (3–17) were isolated from the extract of the culture broth of a soft coral-derived fungus Talaromyces sp. SCSIO 041201. The structures of these compounds were elucidated by the extensive analyses of spectroscopic data and by comparison with the reported literature. Antifouling and antibacterial activities of all purified compounds were tested and evaluated. Compounds 5 and 6 showed antifouling activity towards Bugula neritina larva, with LC50 values of 3.86 μg/mL and 3.05 μg/mL, respectively. Compounds 7, 8, 10 and 13 exhibited significant antibacterial activities against E. coli, MRSA, S. aureus and E. faecalis, with MIC values ranging from 0.45 to 15.6 μg/mL.

The structural features, energetic characteristics, and dynamics behaviors for series of pentazole anion salts under various intensities of external electric field (0.0–0.5 V/A) were investigated by molecular dynamics simulations. The results show that there exist significant conformational changes for (NH4)N5 in 0.2 V/A and [N(CH3)4]N5 in 0.5 V/A. The sudden conformational changes resulted in sudden changes in energetic properties, dynamics behaviors, and so on. The comprehensive analysis on N-N bond length distribution, potential energy and cohesive energy density indicates that external electric field can improve thermodynamics stability. The analysis on diffusion behavior suggests that external electric field restrict the diffusion of N5− anion. Our studies innovatively introduced external electric field by Perl script and provide a new avenue to tune and improve the performances of energetic materials by external electric field.

The response of various CL-20 and HMX based energetic composites to external electric field was studied by molecular dynamics simulations. The results indicate that structural features, energetic properties and mechanical properties of all energetic systems show great dependence on the additives, ratio of CL-20 to HMX and external electric field. The comprehensive analysis about structural features based on trigger bond length distribution, the maximum bond length of trigger bond and radial distribution functions between O and H atoms suggest that additives, ratio of CL-20 to HMX, and external electric field can effectively adjust and improve the stability for the energetic systems. The discussions about energetic properties based on potential energies, cohesive energy density and interaction energy between two N atoms of N-N trigger bond reveal that stability of the energetic systems can be adjusted by adding additives and changing ratio of CL-20 to HMX, and can be enhanced by the introduction of external electric field. Besides, the studies show that mechanical properties can be significantly adjusted and improved by the proportion of main explosives, additives and an external electric field. Our studies may provide an avenue to adjust and improve the performances of energetic materials.