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We demonstrate here a novel method for the design of liquid crystals (LCs) via the cyclization of mesogens by flexible chains. For two azobenzene-4,4’-dicarboxylate derivatives, the cyclic dimer, cyclic bis(tetraethylene glycol azobenzene-4,4′-dicarboxylate) (CBTAD), shows LC properties with smectic A phase, while its linear counterpart, bis(2-(2’-hydroxyethyloxy)ethyl azobenzene-4,4′-dicarboxylate (BHAD), has no LC phase. The difference is ascribed to the shackling effect from the cyclic topology, which leads to the much smaller entropy change during phase transitions and increases the isotropic temperature greatly for cyclics. In addition, the trans-to-cis isomerization of azobenzene groups under UV-light is also limited in CBTAD. With the reversible isomerization of azobenzene groups, CBTAD showed interesting isothermal phase transition behaviors, where the LC phase disappeared upon photoirradiation of 365 nm UV-light, and recovered when the UV-light was off. Combined with the smectic LC nature, a novel UV-light tuned visible light regulator was designed, by simply placing CBTAD in two glass plates. The scattered phase of smectic LC was utilized as the “OFF” state for light passage, while the UV-light induced isotropic phase was utilized as the “ON” state. The shackling effect outlined here should be applicable for the design of cyclic LC oligomers/polymers with special properties.

Amyloid-β (Aβ) accumulating is considered as a causative factor for formation of senile plaque in Alzheimer’s disease (AD), but its mechanism is still elusive. The Nicotinamide mononucleotide adenylyltransferase 2 (Nmnat2), a key redox cofactor for energy metabolism, is reduced in AD. Accumulative evidence has shown that the decrease of α-secretase activity, a disintegrin and metalloprotease domain 10 (ADAM10), is responsible for the increase of Aβ productions in AD patient’s brain. Here, we observe that the activity of α-secretase ADAM10 and levels of Nmnat2 are significantly decreased, meanwhile there is a simultaneous elevation of Aβ in Tg2576 mice. Over-expression of Nmnat2 increases the mRNA expression of α-secretase ADAM10 and its activity and inhibits Aβ production in N2a/APPswe cells, which can be abolished by Compound C, an AMPK antagonist, suggesting that AMPK is involved in over-expression of Nmnat2 against Aβ production. The further assays demonstrate that Nmnat2 activates AMPK by up-regulating the ratio of NAD+/NADH, moreover AMPK agonist AICAR can also increase ADAM10 activity and reduces Aβ1-40/1-42. Taken together, Nmnat2 suppresses Aβ production and up-regulates ADAM10 in AMPK activity-dependent manner, suggesting that Nmnat2 may serve as a new potential target in arresting AD.

(±)-Involucrasins A (1) and B (2), two pairs of flavanone enantiomers were isolated from Shuteria involucrata. Structurally, both 1 and 2 are rare representatives of 5-dehydroxy/5-demethoxy 2',3',4'-trisubstituted flavanones. Their structures were elucidated on the basis of comprehensive spectroscopic data analysis and comparison with the literature data. Involucrasin B (2) exhibited moderate anti-proliferative activity against Caco-2, MCF-7, MDA-MB-468, and HCT116 cell lines with IC50 values ranging from 7.9-22.7 μM. Involucrasin A (1) exhibited weak inhibitory activity against Caco-2 and MCF-7 cell lines with IC50 values of 25.8 and 26.5 μM, respectively.

The counter electrode (CE) is a crucial part in dye-sensitized solar cells (DSSCs). By catalyzing the reduction of the oxidized state to the reduced state for a redox couple (e.g. I3 −/I−) in elect...

The photocatalytic reduction of N2 to NH3 is considered a promising strategy to alleviate human need for accessible nitrogen and environmental pollution, for which developing a photocatalyst is an effective method to complete the transformation of this process. We firstly design a series of highly efficient and stable polyoxometalates (POMs)-based zeolitic imidazolate framework-67 (ZIF-67) photocatalysts for N2 reduction. ZIF-67 can effectively fix N2 owing to its porosity. Integration of POMs cluster contributes enormous advantages in terms of broadening the absorption spectrum to improve sunlight utilization, enhance the stability of the materials, effectively inhibit the recombination of photo-generated electron-hole pairs, and reduce charge-transfer impedance. POMs can absorb light to convert into reduced POMs, which have stronger reducing ability to provide ample electrons to reduce N2 . The reduced POMs can recover their oxidation state through contact with an oxidant, which forms a self-recoverable and recyclable photocatalytic fixing N2 system. The photocatalytic activity enhances with the increasing number V substitutions in the POMs. Satisfactorily, ZIF-67@K11 [PMo4 V8 O40 ] (PMo4 V8 ) displays the most significant photocatalytic N2 activity with a NH3 yield of 149.0 μmol L-1 h-1 , which is improved by 83.5 % (ZIF-67) and 78.9 % (PMo4 V8 ). The introduction of POMs provides new insights for the design of high-performance photocatalyst nanomaterials to reduce N2 .

Polyoxometalates (POMs) have been considered as an efficient catalyst for triiodide reduction in dye-sensitized solar cells (DSSCs). However, agglomeration of POMs limits the improvement in power conversion efficiency (PCE) of DSSCs. In this paper, we improve our previous synthesis process by a simple ultrasonic driving strategy. A series of highly dispersed POM nanoparticles periodically deposited on multi-walled carbon nanotube (MWCNT) nanocomposites (abbreviated as POMs/CNTs) is synthesized, which increases the active sites by improving the dispersion degree and inhibiting the aggregation of POM molecules. Additionally, CNTs as a conductive support skeleton and physical barrier promote the rapid electron transfer and protect POM molecules from chemical degradation. The nanocomposites exhibit well-distributed morphology, and highly dispersed POM nanoparticles about tens of nanometers in diameter are in intimate contact with CNTs. Powder X-ray diffraction, X-ray photoelectron spectroscopy, scanning electron microscopy and transmission electron microscopy demonstrate that POM nanoparticles have been periodically deposited on CNTs. POM/CNT counterelectrodes (CEs) exhibit a more remarkable performance towards triiodide reduction than pure CNT CEs, indicating that POMs deposited on CNTs boost electrocatalytic triiodide reduction. Among these POM/CNT CEs, the Co4PW9/CNT CE exhibits the best photovoltaic behavior with a high power conversion efficiency (PCE) of 7.60%, which is superior to that of the Pt CE (6.59%). The excellent activity originates from the synergistic effect between the high redox activity of POMs and the excellent conductive ability of CNTs. This work provides a foundation for preparing advanced high-efficient CE catalysts of POM materials.

All-inorganic heterostructures have attracted intense interest for new energy and environmental applications recently, especially in photoelectronic devices. Herein, we firstly obtain a novel CoIn2S4 thiospinel octahedron through a simple one-step hydrothermal synthesis method. On this basis we further propose a strategy to prepare all-inorganic heterostructures (NH4)4CoII[CoIIW12O40]·20H2O/CoIn2S4 (CoW12-n/CoIn2S4, where n represents the molar number of CoW12) through doping Keggin-type polyoxometalates (POMs). The addition of POMs can alleviate the cross-growth of the CoIn2S4 octahedron and increase the specific surface area and the number of exposed active sites of the heterostructures. What's more, we investigate the electrocatalytic triiodide reduction properties of the heterostructures. Electrochemical measurements show that POM contents have an obvious influence on the catalytic activity of this heterostructure catalyst. The CoW12-0.3/CoIn2S4 heterostructures present the best catalytic performance and the lowest charge transfer resistance. Consequently, the dye-sensitized solar cells (DSSCs) with CoW12-0.3/CoIn2S4 heterostructures as a counter electrode (CE) show the highest photovoltaic conversion efficiency (PCE) of up to 6.79%, superior to that of the Pt CE (5.83%). This work not only provides an approach for designing composites for efficient electrocatalytic triiodide reduction, but also represents a further step towards the application of all-inorganic heterostructures in photoelectronic devices.

Multi-component tungsten carbide-based hybrid materials featuring different heteroatom dopants coated with X,N dual-doped carbon layers (X/W2 C@X,N-C, XWXNC) were prepared by selecting Keggin-type polyoxometalates (POMs) (NH4 )n [XW12 O40 ] (X=Co, Si, Ge, B, and P) and dicyandiamide (DCA) as precursors. The electrocatalytic activity of these nanocomposites as counter electrode (CE) catalysts for dye-sensitized solar cells (DSSCs) was systematically investigated. Structure characterizations show that X,N heteroatoms were successfully introduced into the W2 C and carbon frameworks. The obtained X,N dual-doped carbon layers were modified and loaded with W2 C nanoparticles, promoting the improvement of catalytic performance by a synergistic effect. The consequence of photoelectric conversion efficiency (PCE) is CoWCoNC (6.68 %)>SiWSiNC (6.56 %)>GeWGeNC (6.49 %)>BWBNC (6.45 %)>PWPNC (6.20 %)>WNC (6.05 %). With the increase in electronegativity of the dopants, the photovoltaic performance decreases in a reverse order. This work provides a shortcut to the rational design of highly efficient and cost-effective catalysts for DSSCs.

At present, the anti-tumor drugs on the market are expensive and non-function of visual therapy, so the development of cheap, highly bioactive and capable of visualization drugs has attracted much attentions. Here, we find that five Keggin-type rare earth-containing polyoxometalates (POMs) have stronger bioactivity than rare earth-free POM K7[PTi2W10O40]·6H2O (PM-19) on six types of tumor cells at 24 h, 48 h and 72 h, respectively. The most remarkable effect of K4(H2O)4[K3.5La0.5(H2O)8ClPTi2W10O40]·NH2OH (HPB-1) (IC50 = 0.092 μmol) is increased by 5.4-fold compared to that of PM-19 (IC50 = 0.505 μmol) against MCF-7 cells at 72 h, and higher than the present reported highest anti-tumor activities of rare earth-containing POM K11(C4H4FN2O2)2Nd(GeW11O39)2·15H2O on SGC-7901 cells (IC50 = 0.79 μM) and HepG2 cells (IC50 = 0.37 μM). Exhilaratingly, K4(H2O)4[K3.5Eu0.5(H2O)8ClPTi2W10O40]·NH2OH (HPB-5) stimulating red fluorescence cultures with MCF-7 cells to collect fluorescence cell pictures, which clearly show the entire treatment process. HPB-5 gradually destroys cell membrane into cytoplasm, a little into nucleus, finally inducing cell death. Qualitative monitoring treatment of visualization can assist diagnosis, raise prediction, and avoid accidental injury. Furthermore, the treatment by the POMs causes cell cycle arrest as well as apoptosis, suggesting a great potential in therapy. Our work provides a new idea for the clinical application of multifunctional POMs.

Purpose: We have previously reported that PRDX2 plays an oncogenic role in colon cancer. In this study, the mRNA expression profile of PRDX2 in HCT116 cells was investigated. Furthermore, we selected Dynamin 3 (DNM3), which is up-regulated by siPRDX2, to investigate its expression pattern and functions in colon cancer. Patients and methods: PRDX2 siRNA was transfected into HCT116 cells and the mRNA profile was tested by RNA-Sequencing. The expression of interest proteins was determined by Western blot. DNM3 expression in colon cancer tissues and para-carcinoma tissues was evaluated by Western blot and immunohistochemistry assays. Full-length cDNA of DNM3 was cloned into pcDNA3.1 and introduced into HCT116 and HT29 cells. Cell proliferation was tested by CCK-8 and colony formation assays. Cell invasion and migration were tested by transwell assays. Gelatin zymography was utilized for detection of MMP9 activity. Cell apoptosis was investigated with Annexin V/PI staining and flow cytometry and visualized with Hoechst/PI staining assay. All statistical analysis was performed with SPSS 17.0 software. Results: PRDX2 knockdown led to 210 up-regulated genes and 16 down-regulated genes in HCT116 cells. We also found that DNM3 expression was up-regulated following PRDX2 silencing in HCT116 and HT29 cells. In colon cancer patients, DNM3 was down-regulated and showed a significant association with pathologic grading. DNM3 overexpression inhibited cell proliferation and induced apoptosis in HCT116 and HT29 cells. Cell migration and invasion were also down-regulated in DNM3 overexpressing colon cancer cells, which might be due to the inhibition of MMP9 proteolytic activities. After thorough investigation of the potential mechanism involved, we hypothesized that DNM3 overexpression induced activation of the mitochondrial apoptosis pathway and inhibition of the AKT pathway. Conclusion: These data suggest that DNM3 is down-regulated in colon cancer, serving as a tumor suppressor. Our study provides new sights into the prognostic value and therapeutic application of DNM3 in colon cancer.

Recent studies have shown that 3D printed scaffolds integrated with growth factors can guide the growth of neurites and promote axon regeneration at the injury site. However, heat, organic solvents or cross-linking agents used in conventional 3D printing reduce the biological activity of growth factors. Low temperature 3D printing can incorporate growth factors into the scaffold and maintain their biological activity. In this study, we developed a collagen/chitosan scaffold integrated with brain-derived neurotrophic factor (3D-CC-BDNF) by low temperature extrusion 3D printing as a new type of artificial controlled release system, which could prolong the release of BDNF for the treatment of spinal cord injury (SCI). Eight weeks after the implantation of scaffolds in the transected lesion of T10 of the spinal cord, 3D-CC-BDNF significantly ameliorate locomotor function of the rats. Consistent with the recovery of locomotor function, 3D-CC-BDNF treatment could fill the gap, facilitate nerve fiber regeneration, accelerate the establishment of synaptic connections and enhance remyelination at the injury site., Graphical Abstract Graphical Abstract

Triglyceride glucose (TyG) index and inflammatory markers are reported to have a positive association with metabolic syndrome (MetS). However, no previous study has assessed the value of TyG index and inflammatory markers as predictors of metabolic syndrome in the same study. This study looks at the comparison of the triglyceride index and blood leukocyte indices as predictors of metabolic syndrome in the Chinese population. The study cohort involved 1542 Chinese population without metabolic syndrome. The subjects underwent comprehensive routine health examination in 2011 and returned for a follow-up examination in 2016. Metabolic syndrome was defined according to Chinese Diabetes Society criteria, using body mass index for the replacement of waist circumference. TyG index, total leukocytes, neutrophils, lymphocytes, and neutrophil-to-lymphocyte ratio (NLR) were measured. Adjust d logistic models were used to assess the relationship between TyG index, blood leukocyte indices, and incident MetS. Receiver operating characteristic (ROC) curves were performed to determine the predictive value of TyG index and blood leukocyte indices for MetS. Results from multivariate logistic regression analysis showed that, in the adjusted model, the subjects with the highest quartile of TyG index and neutrophils had a 3.894- and 1.663-fold increased incidence of MetS (P P = 0.027), respectively. No significant association was observed between total leukocytes, lymphocytes, NLR with incident MetS. ROC analysis showed that the AUC of TyG index and neutrophils were 0.674 and 0.568 for incident MetS, respectively. TyG index rather than blood leukocyte indices may have the strongest predictive value in MetS development over a 5-year period.

Osteoarthritis (OA) is a highly prevalent disease worldwide that causes disability and diminishes the quality of life of affected individuals. The disease is characterized by cartilage destruction, increased inflammatory responses and cholesterol metabolic disorder. Scutellarin is the major active ingredient extracted from Erigeron breviscapus, and it has been demonstrated to possess various pharmacological functions in the treatment of the disease. However, its effects on OA are complex. The present study investigated whether scutellarin can mediate the release of inflammatory cytokines, the expression of collagen- and cholesterol-related proteins, and regulate the phosphoinositide 3-kinase (PI3K)/AKT/mammalian target of rapamycin (mTOR) signaling pathway in a cell model of OA. Interleukin (IL)-1β was used to stimulate OA in SW1353 cells in vitro. The primary methods used were ELISA and western blotting, which were carried out to examine the effects of scutellarin on the cell model of OA. It was found that scutellarin increased the expression of collagen II and SRY-box 9, whereas it suppressed the expression of matrix metalloproteinase 13. In addition, scutellarin downregulated the expression levels of cholesterol 25-hydroxylase and cytochrome P450 family 7 subfamily B polypeptide 1, but upregulated the expression of apolipoprotein A-1 and adenosine triphosphate-binding cassette transporter A1. The IL-1β-induced increase in the expression of IL-6 was decreased by treatment with scutellarin; however, scutellarin did not alter the expression of C-reactive protein and tumor necrosis factor-α. The protein expression levels of AKT, phosphorylated (p)-AKT, mTOR and p-mTOR in the PI3K/AKT/mTOR signaling pathway were decreased in the IL-1β-induced SW1353 cells following scutellarin treatment. Overall, the findings of the present study demonstrated that scutellarin regulated OA in vitro by inhibiting the PI3K/AKT/mTOR signaling pathway.

High sucrose can induce tau hyperphosphorylation and cognitive dysfunction/memory impairment as observed in Alzheimer's disease (AD). Rutaecarpine, a specific (transient receptor potential vanilloid 1 [TRPV1]) agonist, is neuroprotective against high sucrose diet-induced impairment, but detailed mechanisms are still elusive. In this study, we investigated whether rutaecarpine mitigates high sucrose diet-induced pathological alterations and cognitive in AD-like mice. Mice were administered fodder containing 0.01% rutaecarpine and 20% sucrose solution. Our results showed that rutaecarpine significantly attenuated high sucrose diet-induced spatial memory impairment and enhanced synaptic plasticity; rutaecarpine prevented high sucrose diet-induced tau hyperphosphorylation by decreasing glycogen synthase kinase-3β (GSK-3β) activity; activation of GSK-3β reversed the protective effect of rutaecarpine on learning and memory deficits, synaptic plasticity, and tau hyperphosphorylation induced by high-glucose diet significantly, suggesting that GSK-3β activation is required for high glucose-induced tau hyperphosphorylation. These results demonstrated that rutaecarpine can mitigate high sucrose diet-induced hyperphosphorylation of AD-associated tau protein and cognitive impairment by inhibiting GSK-3β, which supported that dietary rutaecarpine might have a promising use for therapeutic intervention of AD.

The development of polyoxometalates (POMs) nanoparticles (NPs) as a new generation anti-cancer drugs to realize enhanced diagnoses and treatment outcomes is highly desirable but remains a great challenge. In this work, four kinds of small sizes polyoxometalates nanoparticles (NH4)11.9[Nd4.7(MoO4)(H2O)23(Mo7O24)4]·19H2O, (POM1-NP) (NH4)28[Ce8(MoO4)2(H2O)31(Mo7O24)8]·74H2O, (POM2-NP) (NH4)11.9[Pr4.7(MoO4)(H2O)23(Mo7O24)4]·34H2O (POM3-NP) and (NH4)26[CoPr8(MoO4)2(H2O)31(Mo7O24)8]·54H2O (POM4-NP) with the average particle diameters of about 50 ± 5 nm synthesized by a simple and environmental friendly freeze-drying method can be easier taken up by cells and show higher cytotoxicity against six human cancer cell lines compared with (NH4)11.9[Nd4.7(MoO4)(H2O)23(Mo7O24)4]·19H2O (POM1), (NH4)28[Ce8(MoO4)2(H2O)31(Mo7O24)8]·74H2O (POM2), (NH4)11.9[Pr4.7(MoO4)(H2O)23(Mo7O24)4]·34H2O (POM3) and (NH4)26[CoPr8(MoO4)2(H2O)31(Mo7O24)8]·54H2O (POM4) prepared by hydrothermal method. Most obviously, the IC50 of POM4-NP on Hela cells is 0.042 μmol increased by 2.5-fold than POM4 with the IC50 value of 0.105 μmol and 38-fold than (NH4)6[Mo7O24] ([Mo7O24]6−) with the IC50 value of 1.618 μmol, the anti-tumor activity of which has been greatly improved. POMs 1-4 NPs revealed stronger penetration and lower side effects of dose-dependent by cellular uptake compared with POMs 1-4. It proves that the POMs 1-4 and POMs 1-4 NPs have good stability for 24 h by UV-vis and SEM. Further studies on its mechanism have shown that POMs can arrest cell cycle and induce apoptosis in MCF-7 cells. These studies will supply direction for developing NPs for intervention therapy against relevant cancers and also have implications in determining nanotoxicity.

Nitrogen (N2) fixation is the second most vital chemical process in nature, preceded only by photosynthesis. However, the construction of efficient photocatalysts for N2 reduction is still a significant challenge. Herein, for the first time, we report four kinds of Dawson-type polyoxometalate (POM)-based nitrogen vacancies graphitic carbon nitride (V-g-C3N4) (POM@V-g-C3N4) composite-nanomaterials, which have outstanding photocatalytic N2 fixation activities under mild conditions. V-g-C3N4 can capture N2 molecules strongly and accurately. The POMs doped into V-g-C3N4 play a major role in promoting the activation and dissociation of N2 for the following three reasons: (1) a wide spectrum is established from 200–900 nm to enhance the utilization of light energy. (2) POMs are easily reduced under light conditions, with the advantage of stronger pre-reduction properties, to provide abundant electrons to activate N2. The reduced POMs further react with oxygen returning to the original POMs, and the reaction forms a self-healing, recyclable photocatalytic N2-fixing system. (3) The recombination of photogenerated carriers is effectively suppressed and charge-transfer resistance is weakened. Surprisingly, α2-K8P2W17O61(Co2+·OH2)·16H2O (P2W17Co) P2W17Co@V-g-C3N4 shows the best photocatalytic N2 fixation efficiency of 214.6 μmol L−1 h−1, which is increased by 91.05% and 95.99% as compared to that of P2W17Co and V-g-C3N4 only. It provides a new view toward the design of sustainable, stable and high-performance photocatalytic N2 fixation nanomaterials.

Acute lung injury (ALI) is characterized by inflammatory cell infiltration, macrophage activation, and excessive pro-inflammatory cytokine production. Bleomycin (BLM) is widely used to induce acute lung injury (ALI) and fibrosis in murine models. Intratracheally administration of BLM leads to the early stage of inflammatory response and the late stage of collagen deposition. Omentin-1 exerts an anti-inflammatory role in reducing tumor necrosis factor α (TNF-α)-induced cyclooxygenase-2 expression in endothelial cells and attenuating lipopolysaccharide (LPS)-induced ALI. However, the role of omentin-1 in BLM-induced ALI remains unclear. The aim of this study is to examine the effects of omentin-1 on BLM-induced ALI. We found that omentin-1 was decreased in lungs of BLM-induced ALI mice. Omentin-1 overexpression mediated by adenovirus alleviated lung injury and maintained the integrity of the alveolar septa. Omentin-1 overexpression also remarkably decreased the aggregation of neutrophil and macrophages activation, the expression of monocyte chemotactic protein 1 (MCP-1), and down-regulated expression of interleukin 1β (IL-1β) in lungs of BLM-induced ALI mice. Furthermore, we observed that omentin-1 reduced oxidative stress and suppressed the activation of NF-κB pathway in BLM-induced ALI and LPS-induced macrophages activation. Together, our findings indicated that omentin-1 protected mice from BLM-induced ALI may through reducing inflammatory cells recruitment and macrophages activation via alleviation of oxidative stress and NF-κB pathway. Thus, therapeutic strategies aiming to restore omentin-1 levels may be valuable for the prevention of BLM-induced ALI.

Seven novel guaiane sesquiterpenoids (1–7) and three known seco-guaianes were isolated from the volatile oil of Pogostemon cablin. Their structures including absolute configurations were determined by spectroscopic analyses, a modified Mosher’s method, and X-ray diffraction and ECD data. The results indicated that the ECD Cotton effects arising from one or two nonconjugated olefinic chromophores could be applied to define the absolute configurations of guaiane sesquiterpenoids. Compounds 3 and 6 exhibited significant vasorelaxant activity against phenylephrine-induced and KCl-induced contractions of rat aorta rings [half-maximal effective concentration (EC50) of 3 against PHE-induced contraction, 5.4 μM; EC50 of 6 against PHE- and KCl-induced contractions, 1.6 and 24.2 μM, respectively]. They also showed antifungal activity against Candida albicans (minimum inhibitory concentrations, 500 and 300 μM, respectively). In addition, 2 and 7–9 displayed a neuroprotective effect against glutamate-induced injury i...

Theoretical study on WAlB has been performed by using the first-principles calculations. The calculation of the elastic constants and phonon dispersion indicates that the compound is stable both mechanically and thermodynamically. From the analysis of band structure and density of states (DOS), WAlB has the metallic nature. The analysis of electron localization function (ELF) and Bader's quantum theory of atoms in molecules (QTAIM) confirms the B-B covalent character and W-B intermediate character. Optical properties of WAlB are investigated by GW approximation. The results show that the intrinsic oscillation frequency of WAlB is about 25.5 eV, and WAlB possesses high reflectivity in the infrared-visible -UV range up to ∼22.2 eV. The higher absorption coefficient of WAlB indicates that WAlB is a promising absorbent material.

Electrical excitability by membrane depolarization is crucial for survival and maturation of newborn cells in the dentate gyrus of the hippocampus. However, traditional technology for membrane depolarization lacks temporal and spatial precision. Optogenetics can be used to activate channelrhodopsin-2 (ChR2), allowing cationic current to depolarize genetically targeted cells. In this study, we used ChR2-EGFP driven by doublecortin (DCX) to promote survival and maturation of newborn cells in the dentate gyrus after traumatic brain injury (TBI). C57BL/6 mice underwent lateral fluid percussion TBI. TBI mice were transfected with a lentivirus carrying the DCX-ChR2-EGFP gene. We observed that not only immature neurons but also type-2b intermediate progenitor (IPs) and neuroblasts expressed DCX-EGFP, indicating that DCX-expressing newborn cells could provide a long time window for electrical activity regulation. Quantitative results showed that the number of EGFP-expressing cells began to rise at 3 days after TBI and peaked at 9 days after TBI. By optical depolarization of DCX-EGFP-expressing cells between 3 and 12 days, we observed significantly improved cognitive deficits after TBI with enhanced survival and maturation of newborn cells in the dentate gyrus. We also investigated the role of optical depolarization in neural stem cells transfected with a lentivirus carrying the ChR2-DCX-EGFP gene in vitro. By administrating verapamil to block L-type calcium channels, we verified that the up-regulation of MAP2, NeuN, Neurog2, NeuroD1 and GluR2 in newborn cells was mediated by ChR2-elicted depolarization. By using β-catenin inhibitor Dkk1, we demonstrated that optical depolarization of DCX-EGFP-expressing cells facilitated survival and maturation probably through the Wnt/β-catenin signaling cascade.

Aim To compare three kinds of fluorescent probes for in vitro labeling and in vivo tracking of endothelial progenitor cells (EPCs) in a mouse model of laser-induced retinal injury. Methods EPCs were isolated from human umbilical cord blood mononuclear cells and labeled with three different fluorescent probes: 5-(and-6)-carboxyfluorescein diacetate succinimidyl ester (CFSE), 1,1'-dilinoleyl-3,3,3',3'-tetramethylindo-carbocyanine perchlorate linked acetylated low-density lipoprotein (DiI-AcLDL), and green fluorescent protein (GFP). The fluorescent intensity of EPCs was examined by confocal microscopy. Survival rate of labeled EPCs was calculated with trypan blue staining, and their adhesive capability was assessed. A mouse model of retinal injury was induced by laser, and EPCs were injected into the vitreous cavity. Frozen section and fluorescein angiography on flat-mounted retinal samples was employed to track the labeled EPCs in vivo. Results EPCs labeled with CFSE and DiI-AcLDL exhibited an intense green and red fluorescence at the beginning; the fluorescence intensity decreased gradually to 20.23% and 49.99% respectively, after 28d. On the contrary, the florescent intensity of GFP-labeled EPCs increased in a time-dependent manner. All labeled EPCs showed normal morphology and no significant change in survival and adhesive capability. In the mouse model, transplantation of EPCs showed a protective effect against retinal injury. EPCs labeled with CFSE and DiI-AcLDL were successfully tracked in mice during the development of retinal injury and repair; however, GFP-labeled EPCs were not detected in the laser-injured mouse retina. Conclusion The three fluorescent markers used in this study have their own set of advantages and disadvantages. CFSE and DiI-AcLDL are suitable for short-term EPC-labeling, while GFP should be used for long-term labeling. The choice of fluorescent markers should be guided by the purpose of the study.

Six sesquiterpenoids including three previously undescribed ones (1–3) were isolated from the essential oil of the aerial parts of Pogostemon cablin. Their structures were determined to be (+)-(1S,4R,6S,7R,10S)-1-hydroxycadinan-12-ene-5-one (1), 11-dehydroxy-cinnamosin A (2), and 1-methoxy-senecrassidiol (3) by extensive spectroscopic analyses. This is the first report of cadinane-, cyperane-, and caryolane-type sesquiterpenoids from the genus Pogostemon. Particularly, compound 2 was a rare cyperane-type sesquiterpenoid, compound 3 was a caryolane-type sesquiterpenoid with an unusual cis fusion of A/B ring and an unusual α-methano bridge.

Developing an efficient method to recover and reuse soil-base lead (Pb) poses significant challenges. Herein, we designed a remediation method to achieve the dual goal of separating and reusing Pb from soil based on Bacillus megaterium-secreted surfactin with pH-response. Under weakly alkaline, B. megaterium-secreted surfactin efficiently captured Pb(II) from soil and also converted it into biological Pb/PbO nanoparticles (bio-Pb/PbO NPs). Further, surfactin’s sensitivity to pH enables bio-Pb/PbO NPs to be readily separated from the soil through simple pH adjustments. The highest yield of bio-Pb/PbO NPs (77.54%) was achieved at an initial concentration of 1 mg/g Pb(II). The recovered bio-Pb/PbO NPs showed a mesoporous structure and an average size of ~47 nm. More importantly, bio-Pb/PbO NPs exhibited highly efficient catalytic activity for the hydrogen evolution reaction in 1 M KOH. These results demonstrated that this method efficiently recovered and converted Pb into high value-added NPs, and was thereby a sustainable and feasible technique for Pb(II) recovery and reuse. As such, this methodology offers a new, efficient, and practical approach for sustainable remediation of heavy metal contamination in soils.

The electronic, optical and thermal properties of Cr 3 AlB 4 were investigated by using the all-electron projector augmented wave method with the Perdew-Burke Ernzerhof functional. The analysis of band structure and density of states confirms the metallic character of Cr 3 AlB 4 . The analysis of normalized total phonons density of states and atomic projected density of states shows that the contributions of B and Cr atoms to the phonon-dispersion structures are larger than that of Al atom. Cr 3 AlB 4 becomes transparent above 23 eV and possesses high reflectivity in the infrared-visible -UV range up to ∼19.76 eV. When the photon energy is bigger than 19.76 eV, the reflectivity sharply decreases to very low reflectivity (high transparency) for short wavelength. The thermal properties were further investigated with the increasing temperature and pressure by using the quasi-harmonic Debye model.

The selective oxidation of aromatic olefins 1,2-dimethoxy-4-vinylbenzene (DEVB) and 2-methoxy-4-vinylphenol (MOVP) by H2O2 into 1-(3,4-dime-thoxyphenyl)ethanol (MVA) and 1-(4-hydroxy-3-methoxyphenyl)ethanol (HMOPE) catalyzed by copper(II) complex CuL (L = 6,8,15,17-tetramethyl-7,16-dihydrodibenzo-1,4,8,11-tetraazacyclotetradecine) were achieved in cationic surfactant cetyl trimethylammonium bromide (CTAB), anionic surfactant sodium dodecyl benzene sulfonate (SDBS) and nonionic surfactant Triton X-100 (TX-100) micellar media, respectively. Micelle showed great influence on both reaction rate and selectivity of product. Aromatic olefins could be oxidized into corresponding aromatic ketones in aqueous solution, but into secondary alcohols in micellar media. The combination of TEMPO and CuL/H2O2 resulted in relatively fast reaction rate and S > 96% selectivity of aromatic ketones. The reaction rate constants, k 1, k 2 and k 3 for three oxidation reactions pathways: olefin to ketone, olefin to alcohol and alcohol to ketone were obtained, respectively. The kinetic study indicated that the CuL catalyzed oxidation of olefins by H2O2 to alcohols was a relatively rapid and major reaction and ketone was generated by the direct oxidation of olefins, not by further oxidation of alcohol in micellar media.

Ethnopharmacological relevance Traditional Chinese medicine Bu-Fei decoction (BFD) has been utilized to treat patients with Qi deficiency for decades, with the advantages of invigorating vital energy, clearing heat-toxin and moistening lung, etc. According to previous clinical experience and trials, BFD has been found to indeed improve life quality of lung cancer patients and prolong survival time. Nevertheless, little is known on its potential mechanisms so far. Being regarded as a pivotal cytokine in the tumor microenvironment, transforming growth factor β (TGF-β) stands out as a robust regulator of epithelial-mesenchymal transition (EMT), which is closely linked to tumor progression. Aim of the study The present study was designed to explore whether BFD antagonized EMT via blocking TGF-β1-induced signaling pathway, and then help contribute to create a relatively steady microenvironment for confining lung cancer. Materials and methods This experiment was performed in lung adenocarcinoma A549 cells both in vitro and in vivo. In detail, the influences mediated by TGF-β1 alone or in combination with different concentrations of BFD on migration were detected by wound healing and transwell assays, and the effects of BFD on cell viability were determined by cell counting kit-8 (CCK-8) assay. TGF-β1, EMT relevant proteins and genes were evaluated by western blotting, confocal microscopy, quantitative real-time polymerase chain reaction (qRT-PCR), immunohistochemistry (IHC) and enzyme-linked immuno sorbent assay (ELISA). Female BALB/C nude mice were subcutaneously implanted A549 cells and given BFD by gavage twice daily for 28 days. The tumor volume was monitored every 4 days to draw growth curve. The tumor weight, expression levels of EMT-related protein in tumor tissues and TGF-β1 serum level were evaluated, respectively. Results BFD only exerted minor effects on A549 cell proliferation and this was in accordance with the in vivo result, which showed that the tumor growth and weight were not be restrained by BFD administration. However, the data elucidated that BFD could dose-dependently suppress EMT induced by TGF-β1 in vitro via attenuating canonical Smad signaling pathway. In the A549 xenograft mouse model, BFD also inhibited protein markers that are associated with EMT and TGF-β1 secretion into serum. Conclusions Based on these above data, the conclusion could be put forward that BFD probably attenuated TGF-β1 mediated EMT in A549 cells via decreasing canonical Smad signaling pathway both in vitro and in vivo, which may help restrain the malignant phenotype induced by TGF-β1 in A549 cells to some extent.

C20H14N3O2Cl, monoclinic, P21/c (no. 14), a = 15.954(8) Å, b = 8.246(4) Å, c = 14.383(7) Å, β = 116.313(8)°, V = 1696.1(15) Å3, Z = 4, R gt(F) = 0.0331, wR ref(F 2) = 0.0909, T = 296 K.

Objective In recent years, the roles of Neuregulin-1 (NRG-1) in optic nerve injury and retinal cells have been investigated. However, the molecular mechanism by which NRG-1 affects optic nerve injury remains elusive and merits deeper exploration. Hence, this study examined the specific function of NRG-1 in the RhoA/cofilin/F-actin axis in optic nerve injury. Methods Retinal cells were isolated and identified for subsequent experimental uses. Reverse transcription quantitative polymerase chain reaction and Western blot assays were performed to measure NRG-1 expression in retinal cells which were cultured under elevated pressure. TUNEL staining was used to detect the cell apoptosis rate, and Western blot assay was performed to detect the expression of related genes. The axon growth was examined by immunofluorescence. The effects of NRG-1 on RhoA activity, cofilin phosphorylation, and F-actin were detected by Western blot assay. In other studies we established a rat model of acute optic nerve injury, and tested for beneficial effects of NRG-1 in vivo. Results High expression of NRG-1 was evident in the retinal tissues of rats with optic nerve injury. Overexpressing NRG-1 successfully inhibited RhoA activity and the phosphorylation of cofilin and promoted F-actin expression. In cell experiments, overexpressed NRG-1 suppressed the apoptosis of retinal cells and promoted axon growth through the RhoA/cofilin/F-actin axis. In animal experiments, overexpressed NRG-1 relieved retinal injury. Conclusion Our results strongly suggest that overexpressed NRG-1 is highly effective in the protection of normal optic nerve function by suppressing RhoA activity and the phosphorylation of cofilin and rescuing F-actin function.

Prognosis and treatment evaluation of spinal cord injury (SCI) are still in the long-term research stage. Prognostic factors for SCI treatment need effective biomarker to assess therapeutic effect. Quantitative diffusion tensor imaging (DTI) may become a potential indicators for assessing SCI repair. However, its correlation with the results of locomotor function recovery and tissue repair has not been carefully studied. The aim of this study was to use quantitative DTI to predict neurological repair of SCI with transplanting collagen/chitosan scaffold binding basic fibroblast growth factor (bFGF). To achieve our research goals, T10 complete transection SCI model was established. Then collagen/chitosan mixture adsorbed with bFGF (CCS/bFGF) were implanted into rats with SCI. At 8 weeks after modeling, implanting CCS/bFGF demonstrated more significant improvements in locomotor function according to Basso-Beattie-Bresnahan (BBB) score, inclined-grid climbing test, and electrophysiological examinations. DTI was carried out to evaluate the repair of axons by diffusion tensor tractgraphy (DTT), fractional anisotropy (FA) and apparent diffusion coefficient (ADC), a numerical measure of relative white matter from the rostral to the caudal. Parallel to locomotor function recovery, the CCS/bFGF group could significantly promote the regeneration of nerve fibers tracts according to DTT, magnetic resonance imaging (MRI), Bielschowsky’s silver staining and immunofluorescence staining. Positive correlations between imaging and locomotor function or histology were found at all locations from the rostral to the caudal (P

The hydrophilic biomaterial was constructed based on the soluble extracellular polysaccharides (s-EPS) secreted by Bacillus megaterium and zeolitic imidazolate framework-8 (ZIF-8), namely ZIF-8@s-EPS, wrapped in s-EPS shell with ZIF-8 as the core. ZIF-8@s-EPS was used as a novel multifunctional biomaterial in water treatment for the first time. Unexpectedly, results showed ZIF-8@s-EPS with strong synergistic effect presented multifunctional performances including descaling, antifouling and antibacterial. Scale inhibition efficiency reached 98.63% for CaCO3 and as high as 99.40% for CaSO4 at concentration 20.00 mg/L. The synergy of s-EPS and ZIF-8 demonstrated effective antibacterial activity against Pseudomonas aeruginosa and inhibitory effect on biofilms, and result presented that ZIF-8@s-EPS could inhibit the growth of nearly 89.4% P. aeruginosa. Therefore, the obtained insights will shed light on the development of s-EPS modified biomaterials in water treatment.

For improving the oxygen storage/release capacity of ceria-zirconia solid solution, Ce 0.5 Zr 0.5 O 2 -Al 2 O 3 mixed oxides were prepared by a co-precipitation method and applied in the oxidative dehydrogenation of ethylbenzene to styrene with carbon dioxide. Ce 0.5 Zr 0.5 O 2 -Al 2 O 3 mixed oxides were characterized by powder X-ray diffraction, Raman spectroscopy, N 2 -sorption, H 2 temperature-programmed reduction, and X-ray photoelectron spectroscopy. Results show that Al 2 O 3 acts as a diffusion barrier. The addition of Al prevents the growth of Ce 0.5 Zr 0.5 O 2 crystallite size, increases the specific surface area and oxygen storage capacity of Ce 0.5 Zr 0.5 O 2 -Al 2 O 3 mixed oxides. The specific surface area and oxygen storage capacity of Ce 0.5 Zr 0.5 O 2 -Al 2 O 3 mixed oxides are 51.8 m 2 /g higher and 69.4 μmol/g more than those of Ce 0.5 Zr 0.5 O 2 mixed oxides. The ethylbenzene conversion over Ce 0.5 Zr 0.5 O 2 -Al 2 O 3 mixed oxides is about 10% higher than that over Ce 0.5 Zr 0.5 O 2 mixed oxides after 5 h reaction.

The crystal structures, elastic, mechanical and electronic properties of Pnnm-CrB4 crystal are explored using the first-principles calculation. The lattice constant, elastic constants, bulk modulus are calculated under different pressures. Phonon dispersion and elastic constant calculations show that Pnnm-CrB4 is thermodynamically and mechanically stable at standard pressure. The structural analysis shows that the pressure has different effect for the three axes, and c-axis is the most compressible and b-axis is the least compressible, which is consistent with the analysis of the bulk moduli along a-, b-, and c-axis. In addition, CrB4 behaves in a brittle manner within the given pressure range and the analysis of the Poisson's ratios indicates that CrB4 is a covalent material. Band structure, electron local function and density of states are also calculated. And the results show that no band gap exists in the band structure and CrB4 has the metallic character, which is consistent with the result of density of state.

Photosensitizers play a crucial role in p-type dye-sensitized solar cells (p-DSSCs). In this study, we first introduced two Dawson-type transition metal-substituted polyoxometalate dyes to co-sensitize the NiO electrode and achieved an overall power conversion efficiency (PCE) of 0.0464%, which is the highest value reported for inorganic photosensitizers in p-DSSCs.

How to promote neural repair following traumatic brain injury (TBI) has long been an intractable problem. Although acupuncture has been demonstrated to facilitate the neurological recovery, the underlying mechanism is elusive. Brain-derived neurotrophic factor (BDNF) exerts substantial protective effects for neurological disorders. In this study, we found that the level of BDNF and tropomyosin receptor kinase B (TrkB) was elevated spontaneously after TBI and reached up to the peak at 12 h. Nevertheless, this enhancement is quickly declined to the normal at 48 h. After combined stimulation at the acupoints of Baihui, Renzhong, Hegu, and Zusanli, we found that BDNF and TrkB were still significantly elevated at 168 h. We also observed that the downstream molecular p-Akt and p-Erk1/2 were significantly increased, suggesting that acupuncture could persistently activate the BDNF/TrkB pathway. To further verify that acupuncture improved recovery through activating BDNF/TrkB pathway, K252a (specific inhibitor of TrkB) was treated by injection stereotaxically into lateral ventricle. We observed that K252a could significantly prevent the acupuncture-induced amelioration of motor, sensation, cognition, and synaptic plasticity. These data indicated that acupuncture promoted the recovery of neurological impairment after TBI by activating BDNF/TrkB signaling pathway, providing new molecular mechanism for understanding traditional therapy of acupuncture.

The molecular structures, infrared spectra, heats of formation (HOFs), detonation properties, chemical and thermal stabilities of several tetrahydro-[1,4]dioxino[2,3-d:5,6-d′] diimidazole derivatives with different substituents were studied using DFT-B3LYP method. The properties of the compounds with different groups such as -NO2, -NH2, -N3, and -ONO2 were further compared. The -NO2 and -ONO2 groups are effective substituents for increasing the densities of the compounds, while the substitution of -N3 group can produce the largest HOF. The compound with -NO2 group has the same detonation properties as 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane, while the compound with -ONO2 group has lower detonation properties than those of hexahydro-1,3,5-trinitro-1,3,5-triazine. The nature bond orbital analysis reveals that the relatively weak bonds in the molecules are the bonds between substituent groups and the molecular skeletons as well as C–O bonds in the dioxin rings. The electron withdrawing groups (-NO2, -...

Marsdenia tenacissima, which is widely used as an anticancer herb in traditional Chinese medicine, has been shown to possess anticancer activity. However, its metabolic profile is poorly investigated. Tenacigenin B is the major steroidal skeleton of C-21 steroids in M. tenacissima. Tenacissoside H and Tenacissoside I are detected at relatively high levels in M. tenacissima. Therefore, we studied their metabolic characteristics in human liver microsomes by ultra-high-performance liquid chromatography coupled with high-resolution mass spectrometry. Fourteen metabolites were tentatively identified by accurate mass measurement and MS/MS fragmentation behavior. It was found that hydroxylation reactions were the major metabolic pathway of Tenacissoside H and Tenacissoside I in human liver microsomes, whereas the metabolic pathway of Tenacigenin B involved dehydrogenation reactions. This is the first time that the metabolic profile of C-21 steroids from M. tenacissima has been explored in human liver microsomes, which is of great significance for subsequent pharmacokinetic and interaction research. Biotransformation in vivo or in vitro may influence the structure of a compound and change its activity. Identification of their fragmentation behaviors and metabolites provides valuable and new information for further understanding the anti-tumor activity of M. tenacissima. Copyright © 2016 John Wiley & Sons, Ltd.

The present study aimed to determine whether post-ischemic treatment with dexmedetomidine (DEX) protected the heart against acute myocardial ischemia/reperfusion (I/R)-induced injury in rats. The phosphatidylinositol-3 kinase/protein kinase B(PI3K/Akt)-dependent signaling pathway was also investigated. Male Sprague Dawley rats (n=64) were subjected to ligation of the left anterior descending artery (LAD), which produced ischemia for 25 min, followed by reperfusion. Following LAD ligation, rats were treated with DEX (5, 10 and 20 µg/kg) or underwent post-ischemic conditioning, which included three cycles of ischemic insult. In order to determine the role of the PI3K/Akt signaling pathway, wortmannin (Wort), a PI3K inhibitor, was used to treat a group of rats that had also been treated with DEX (20 µg/kg). Post-reperfusion, lactate dehydrogenase (LDH), cardiac troponin I (cTnI), creatine kinase isoenzymes (CK-MB), superoxide dismutase (SOD) and malondialdehyde (MDA) serum levels were measured using an ultraviolet spectrophotometer. The protein expression levels of phosphorylated (p)-Akt, Ser9-p-glycogen synthase kinase-3β (p-GSK-3β) and cleaved caspase-3 were detected in heart tissue by western blotting. The mRNA expression levels of B-cell lymphoma 2 (Bcl-2) and Bcl-2-associated X protein (Bax) were detected using reverse transcription-polymerase chain reaction. At the end of the experiment, the hearts were removed and perfused in an isolated perfusion heart apparatus with Evans blue (1%) in order to determine the non-ischemic areas. The risk and infarct areas of the heart were not dyed. As expected, I/R induced myocardial infarction, as determined by the increased serum levels of cTnI, CK-MB and MDA, and the decreased levels of SOD. Post-ischemic treatment with DEX increased the expression levels of p-Akt and p-GSK-3β, whereas caspase-3 expression was reduced following DEX treatment compared with in the I/R group. Compared with the I/R group, the ratio of Bcl-2/Bax at the mRNA level was elevated in the DEX and ischemic post-conditioning groups, whereas the expression levels of Bax were decreased. Conversely, the effects of DEX were attenuated by Wort. These results indicated that, similar to post-ischemic conditioning, post-ischemic treatment with DEX protects the heart against I/R via the PI3K/Akt-dependent signaling pathway, possibly by activating GSK-3β.

Overactivation of the N-methyl-d-aspartate (NMDA) receptor promotes oxidative stress, aggravates the inflammatory response and induces excitotoxic lung injury. NMDA is a synthetic agonist that selectively activates the NMDA receptor. Oleanolic acid (OA) is a natural anti-inflammatory and antioxidant compound. This study investigated the effect and possible mechanism of OA on NMDA-induced acute lung injury (ALI) in mice. OA pretreatment alleviated NMDA-induced histological lung changes and ameliorated pulmonary oedema and pulmonary permeability. At the same time, OA inhibited inflammatory cell infiltration and decreased the levels of tumour necrosis factor (TNF)-α, interleukin (IL)-6 and IL-1β in the lung and bronchoalveolar lavage fluid (BALF). OA markedly decreased malondialdehyde (MDA) production and increased the superoxide dismutase (SOD) and glutathione (GSH) contents of the lung in vivo. Meanwhile, we first found that NMDA increased LDH activity and decreased cell viability, and induced oxidative stress and apoptosis in mouse lung epithelial (MLE)-12 cells. By employing SRT1720 and sirtinol, the activator and inhibitor of sirtuin 1 (SIRT1), we found that SRT1720 partially eliminated the increase in ROS，and sirtinol further promoted the increase in ROS caused by NMDA. OA increased MLE-12 cells viability and attenuated oxidative stress after NMDA challenge in vitro. OA suppressed NMDA-induced MLE-12 cells apoptosis, while sirtinol inhibited the effect of OA. In addition, OA significantly upregulated the levels of SIRT1, nuclear-related factor 2(Nrf2) and Bcl-2 protein and downregulated the levels of acetylated nuclear factor-kappa B (NF-κB), NLRP3 and Bax protein. In conclusion, OA attenuated NMDA-induced excitotoxic lung injury, potentially through its anti-inflammatory, antioxidative stress and anti-apoptotic effects. The mechanism may be related to activating SIRT1 and reducing NF-κB acetylation.

The surface of zeolite was modified by β-cyclodextrin (β-CD) using epichlorohydrin (EPI) as linker to prepare a novel and effective sorbent for removal of p-nitrophenol (p-NP) from aqueous solution. FTIR was used to characterize the surface modification. It was found that the different preparation conditions such as methods of pretreatment, the mole ratio of EPI to β-CD (MEPI:Mβ-CD), pH and NaOH (%) made an impact on sorption capacity of p-NP on β-CD-modified zeolite (ECDMZ). Given MEPI:Mβ-CD 3:1, pH 4.07 and NaOH 6% might be optimum for β-CD to fix on zeolite surfaces. The sorption of p-NP on ECDMZ, cationic β-cyclodextrin (CCD) modified zeolite (CCDMZ) and natural zeolite (NZ) was compared by initial p-NP concentration with the batch sorption experiments. The results showed that the sorption of p-NP on ECDMZ was higher than that of CCDMZ and NZ. Introduction

The management of patients with triple‑negative breast cancer is challenging due to the lack of effective therapeutic options, aggressive behavior and relatively poor prognosis. Xi Huang pills (XHP) are a well‑known traditional Chinese medicine that demonstrate anticancer activities. The aim of the present study was to investigate the antitumor effects of XHP on MDA‑MB‑231 cells in vitro and in vivo, and its potential underlying molecular mechanisms. In the present study, an MTT assay was used to evaluate the antiproliferative activity of XHP on MDA‑MB‑231 cells. In order to investigate the effects further, cell cycle distribution, apoptosis and mitochondrial membrane potential assays were performed, as well as western blot analyses. In addition, a tumor xenograft model was employed to investigate the effects of XHP in vivo. The results of the MTT assay demonstrated that the viability of MDA‑MB‑231 cells was markedly inhibited by XHP in a dose‑ and time‑dependent manner. The inhibitory effect of XHP on the viability of MDA‑MB‑231 cells was greater when compared with MCF‑10A cells. An increase in apoptosis and loss of mitochondrial membrane potential was observed following 4, 8 and 12 mg/ml XHP treatment of MDA‑MB‑231 cells. The protein expression levels of cleaved caspase‑3 were increased by 1.62‑, 2.13‑ and 2.19‑fold, respectively, when compared with the untreated controls, whereas no effects on the expression of B‑cell lymphoma 2 (Bcl‑2) or Bcl‑2‑associated X protein (Bax) were observed. The results of the cell cycle distribution assay analysis demonstrated that XHP treatment arrested cells at the G2/M phase. In addition, XHP treatment decreased the expression of cyclin A and increased the expression of p21Cip1. In vivo experiments revealed that XHP inhibited the growth of MDA‑MB‑231 xenograft tumors without body weight loss, and demonstrated similar effects on the protein expression levels of cleaved caspase 3, cyclin A and p21Cip1 as observed in vitro. In conclusion, the viability of MDA‑MB‑231 cells was inhibited by XHP in a dose‑dependent, time‑dependent and cell‑selective manner in vitro, and the potential underlying mechanisms may involve apoptosis and cell cycle arrest at the G2/M phase. XHP may induce apoptosis in MDA‑MB‑231 cells via the intrinsic pathway, which does not involve the Bcl‑2/Bax ratio. G2/M phase arrest may have been due to the integrated action of decreased cyclin A expression and increased p21Cip1 expression. In addition, XHP inhibited the growth of xenograft tumors in the absence of body weight loss in vivo.

Endogenous glutamate (Glu) release and N-methyl-d-aspartate (NMDA) receptor (NMDAR) activation are associated with lung injury in different animal models. However, the underlying mechanism is unclear. Bone marrow-derived mesenchymal stem cells (BM-MSCs), which show potential use for immunomodulation and tissue protection, play a protective role in pulmonary fibrosis (PF) process. Here, we found the increased Glu release from the BM cells of bleomycin (BLM)-induced PF mice in vivo. BLM stimulation also increased the extracellular Glu in BM-MSCs via the antiporter system xc− in vitro. The gene expression of each subunit of NMDAR was detected in BM-MSCs. NMDAR activation inhibited the proliferation, migration, and paracrine function of BM-MSCs in vitro. BM-MSCs were derived from male C57BL/6 mice, transfected with lentiviral vectors carrying the enhanced green fluorescence protein gene, pretreated with NMDA, and transplanted into the female recipient mice that were intratracheally injected with BLM to induce PF. Transplantation of NMDA-pretreated BM-MSCs significantly aggravated PF as compared with that in the normal BM-MSCs transplantation group. The sex determination gene Y chromosome and green fluorescence protein genes of BM-MSCs were detected to observe BM-MSCs homing in the fibrotic lungs. Moreover, NMDAR activation inhibited BM-MSC migration by downregulating the stromal cell-derived factor-1/C-X-C chemokine receptor type 4 signaling axis. NMDAR activation aggravated the transforming growth factor-β1-induced extracellular matrix production in alveolar epithelial cells and fibroblasts through the paracrine effects of BM-MSCs. In summary, these findings suggested that NMDAR activation-mediated Glu excitotoxicity induced by BLM in BM-MSCs abolished the therapeutic effects of normal BM-MSCs transplantation on BLM-induced PF.

In order to make use of coal direct liquefaction residue efficiently, co-pyrolysis of Hulunbuir lignite and direct liquefaction residue (DLR) of Shendong coal were conducted in a fixed bed reactor under atmospheric pressure. The physicochemical properties of co-pyrolysis semi-coke were analyzed by scanning electron microscope, nitrogen adsorption-desorption, X-ray diffraction, Raman spectroscopy and thermogravimetric analyzer. The results show that DLR semi-coke and lignite semi-coke are cohered each other, because the DLR is softened and melted during co-pyrolysis. The specific surface area and pore volume of co-pyrolysis semi-coke decrease. Characterization of both XRD and Raman spectroscopy indicate that the order degree of co-pyrolysis semi-coke increases with the addition of DLR. Compared with the lignite semi-coke, the CO 2 gasification reactivity of co-pyrolysis semi-coke decreases.

The L-type calcium channel (LCC) plays a regulatory role in various physical and pathological processes. In the vasculature, LCCs mediate agonist-induced vascular smooth muscle contraction. However, whether LCC-mediated vessel responses to certain vasoconstrictors vary among species remains unclear. The coronary arteries were dissected from the hearts of rats and mice. Coronary arterial ring contraction was measured using the Multi Myograph system. High K+ (60 mM)-induced coronary artery contractions were stronger in rats than in mice, whereas CaCl2-induced contraction curves did not differ significantly between the two groups. Endothelin-1, U46619 (thromboxane A2 receptor agonist), and 5-hydroxytryptamine (5-HT) induced concentration-dependent vasoconstriction of coronary arterial rings in rats and mice. The vessel rings of mice were more sensitive to ET-1 and U46619 and less sensitive to 5-HT than those of rats. The LCC blocker nifedipine significantly inhibited coronary artery contractions induced by ET-1, U46619, and 5-HT. The inhibitory effect of 1 μM nifedipine on ET-1- and 5-HT-induced coronary artery contractions was stronger in mice than in rats, whereas its effect on U46619-induced vessel contractions was weaker in mice than in rats. The 5-HT2A receptor and LCC mRNA levels were higher in the coronary arteries of rats than in those of mice, whereas the expressions of the ETA and TXA2 receptors and Orai1 mRNA levels were comparable between the two groups. LCC plays an important role in coronary arterial contraction. Rats and mice show different responses to vasoconstrictors and LCC blockers, suggesting that the coronary arteries of rats and mice have different biological characteristics.

Based on the full optimized molecular geometric structures at the B3LYP/cc-pVTZ level, a new designed compound 5-nitro-2-nitratomethyl-1,2,3,4-tetrazole is investigated in order to look for high energy density compounds (HEDCs). The IR spectrum, the heat of formation (HOF), and frontier molecular orbitals are predicted. The detonation velocity and pressure are evaluated using Kamlet–Jacobs equations based on the theoretical density and condensed HOF. The bond dissociation energies (BDEs) and bond orders for the weakest bonds are analyzed to investigate the thermal stability of the title compound. The results show that the O1–N6 bond is the trigger bond. The crystal structure obtained by molecular mechanics belongs to the Pna21 space group with lattice parameters Z = 4, a = 13.7565 A, b = 12.4737 A, c = 4.3445 A.

A pulse sequence was established to obtain the two-dimensional nuclear magnetic resonance (NMR) spectroscopy with parallel acquisition of 1H-1H and 19F-19F correlations (1H/19F PANSY-COSY) using a 600 MHz Agilent Direct Drive II NMR instrument equipped with a triple resonance HFX probe feeding 1H and 19F receiver channels independently. The results of homo-nuclear COSY experiments on 4,4,5,5,6,6,7,7,7-nonafluoro-1-heptanol provided simultaneously 1H-1H and 19F-19F correlation spectra, which were compared with the regular COSY spectra acquired under the same conditions. The 1H/19F PANSY-COSY data showed the same resolution and signal sensitivity as the regular 1H-1H COSY and 19F-19F COSY while saving 40% of the experiment time. To improve the resolution for 1H/19F PANSY-COSY signals along the indirectly detection dimension, a narrow spectral window was set up in favor of the 1H chemical shifts range. The resulted 19F-19F COSY signals were folded along the indirectly detection dimension, and the spectra quality was improved.

Four nor -β-patchoulene sesquiterpenoids including three new compounds ( 1 – 3 ) and a new natural product ( 4 ) were isolated from the essential oil of the leaves and stems of Pogostemon cablin . Their structures were elucidated by detailed spectroscopic analysis, using 1D- and 2D-NMR techniques. This is the first report of 4- nor -β-patchoulenes from plants. All isolates were evaluated for the cytotoxic activities on human cancer cells in vitro . Compound 3 showed weak cytotoxic activities against NCI-H1975 and HePG-2 with IC 50 values of 49.9 μg/mL and 56.0 μg/mL, respectively.