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Conventional treatments of bone tumor involve removal followed by radiation and chemotherapeutic drugs that may have limitations and cause secondary damage. The development of functional filling biomaterial has led to a new strategy for tumor therapy. In this study, a novel therapeutic ion selenium doped mesoporous bioactive glasses (Se/MBG) nanospheres were successfully synthesized by a facile sol–gel technique using cetyl trimethyl ammonium bromide (CTAB) as the template, which had uniform spherical morphology (≈ 400 nm), high surface area (>400 m2/g) and mesopore volume (≈0.30 cm3/g). Results showed that hydroxyapatite formation ability and controllable doxorubicin (DOX) release and distinct degradation of Se/MBG nanospheres depended on the dose of Se4+. In vitro cell cultures showed that both Se/MBG and DOX-Se/MBG nanospheres had the culture time and dose dependent cytotoxicity to MG63 osteosarcoma cells. But DOX-Se/MBG nanospheres reduced the acute cytotoxicity to MG63 because of the co-operative effect of Se and DOX. Meanwhile, Se/MBG nanospheres were found to have selective cytotoxicity to cancer cells (MG63) and normal cells (MC3T3-E1), indicating that the prepared Se/MBG nanospheres had cell recognition function. These all note that the synthesized Se/MBG nanospheres can be used as a filling biomaterial for the bone tissue engineering.

Materials with superhard and conductive properties are valuable and have great potential applications in multifunctional devices under extreme conditions. Here we propose two carbon polymorphs with superior superhard and conductive properties via first-principle calculations. These two carbon phases, called Orth-C10 and Orth-C10’, contain 10 carbon atoms buckled through sp2-sp3 hybridized bonds in an orthorhombic unit cell with Pmmm and Pmm2 symmetry, which are energetically more stable than fullerene C60 at 0 GPa, and more favorable than graphite at the pressure above 34.4 and 45.4 GPa, respectively. More importantly, their Vickers hardness are as high as 62.2 and 59.9 GPa, respectively, close to the hardness of cubic boron nitride, the second-hardest material. Specially, Orth-C10’ owns ultra-high axial incompressibility even beyond that of diamond at a pressure above 40 GPa. Furthermore, both Orth-C10 and Orth-C10’ are metallic, which is rare in superhard carbon polymorphs. These outstanding natures make Orth-C10 and Orth-C10’ potential materials for electronic devices and mechanical tools.

Acute renal injury (ARI) is a life-threatening condition and a main contributor to end-stage renal disease, which is mainly caused by ischemia-reperfusion (I/R). miR-106b-5p is a kidney function-related miRNA; however, whether miR-106b-5p regulates the progression of ARI remains unclear. The present study thus aimed to examine the effects of miR-106b-5p antagonist on the regulation of ARI progression. It was found that miR-106b-5p expression was upregulated in the renal tissue of rats with I/R-induced ARI and in NRK-52E rat renal proximal tubular epithelial cells subjected to hypoxia-reoxygenation (H/R). In vitro, H/R induction suppressed the proliferation, and promoted the apoptosis and autophagy of NRK-52E cells, whereas miR-106b-5p antagonist (inhibition of miR-106b-5p) promoted the proliferation, and attenuated the apoptosis and autophagy of NRK-52E cells under the H/R condition. Dual luciferase reporter gene assay validated that transcription factor 4 (TCF4) was a target of miR-106b-5p. It was further found that TCF4 overexpression promoted the proliferation, and inhibited the apoptosis and autophagy of NRK-52E cells subjected to H/R. Moreover, the effects of miR-106b-5p antagonist on NRK-52E cell proliferation, apoptosis and autophagy were mediated through the regulation of TCF4. In vivo, miR-106b-5p antagonist reduced the severity of renal injury, decreased cell proliferation in renal tissues and lowered the serum creatinine (Scr) and blood urea nitrogen (BUN) levels in the blood samples from rats with I/R-induced ARI. On the whole, the findings presented herein demonstrate that miR-106b-5p antagonist attenuates ARI by promoting the proliferation, and suppressing the apoptosis and autophagy of renal cells via upregulating TCF4.

The current study investigated the effect of dietary l-histidine and beta-alanine supplementation on growth performance, meat quality, carnosine content, and gene expression of carnosine-related enzymes in broilers. A two-factor design was adopted in this study. A total of 640 1-day-old male broilers were assigned to eight treatments with factorial arrangement containing four levels of l-histidine (0, 650, 1300, or 1950 mg/kg) and two levels of beta-alanine (0 or 1200 mg/kg) supplementation, 0 mg/kg histidine and/or 0 mg/kg were treated as control groups. Each treatment including eight replicates with 10 birds each and the feeding trial lasted for 42 days. Dietary supplementation with l-histidine and beta-alanine did not affect average daily gain (ADG), average daily feed intake (ADFI), and feed conversion ratio (FCR) of broilers during the grower (22–42 days) and the entire phase (1–42 days), compared with the control group (p &gt, 0.05). The only exception was a significantly reduced ADG in the 1950 mg/kg l-histidine group in the starter period (1–21 days, p &lt, 0.05). l-Histidine at 1950 mg/kg significantly decreased redness (a*) and yellowness (b*) values of the meat at 45 min postmortem (p &lt, 0.05), whereas it increased b* value and pH in breast muscle at 24 h postmortem. Moreover, dietary supplementation with beta-alanine alone or combination with l-histidine significantly increased ΔpH in breast muscle (p &lt, 0.01). Dietary l-histidine markedly increased total superoxide dismutase activity and total antioxidant capacity (T-AOC) both in breast muscle (p &lt, 0.01) and in plasma (p &lt, 0.01), and it decreased malondialdehyde (MDA) concentration in breast muscle (p &lt, 0.01). Dietary addition of beta-alanine, alone or combination, significantly increased T-AOC in breast muscle (p &lt, 0.01) and markedly decreased MDA content both in breast muscle and in plasma (p &lt, 0.01). Addition of l-histidine and beta-alanine significantly increased muscle peptide (carnosine and anserine) content (p &lt, 0.05) and upregulated the expression of carnosine synthase, transporter of carnosine/ l-histidine, and l-histidine decarboxylase genes (p &lt, 0.05), with greater change occurring in the combination group of 1300 mg/kg l-histidine and 1200 mg/kg beta-alanine. Overall, dietary l-histidine and beta-alanine could improve meat quality and antioxidant capacity, enhance the carnosine and anserine content, and upregulate the gene expression of carnosine synthesis-related enzymes in broilers.

A new Pb(II)-based coordination polymer, namely, [Pb(bib)(NO3)2]n (1) (bib = 1,4-bis(imidazol-1-yl)benzene), has been successfully synthesized and fully characterized. Compound 1 features a rare homochiral double-stranded helical structure, which with uniform handedness are further bridged each other by Pb-O weak interactions into a 2D supramolecular network. Moreover, detailed luminescent investigations reveal that compound 1 is a effective luminescent sensor, which can detect and quantify Fe3+ ions in aqueous solution with high sensitivity and selectivity quenching effect. The possible luminescent quenching mechanisms have been proposed.

Phillyrin, a natural plant extract, has significant antioxidant and anti-apoptotic effects. However, its effect on intracerebral hemorrhage (ICH) remains unclear. In this study, we investigated a potential role for phillyrin in the regulation of the oxidative stress and apoptosis induced by ICH. A model of ICH was induced by collagenase IV (0.2 U in 1 μl sterile normal saline) in male C57BL/6J (B6) mice and different doses of phillyrin (5, 15, or 30 mg/kg) were intraperitoneally (i.p.) injected at 30 min, 6 h, and 22 h after modeling. We found that phillyrin significantly reduced neural function and lesion volume, improved injury of white and grey matter around the lesion, decreased apoptosis and oxidative stress, increased the expression of nuclear factor-erythroid 2-related factor 2 (Nrf2), heme oxygenase 1(HO-1), NADPH quinone oxidoreductase 1 (NQO1) and Superoxide Dismutase-1(SOD-1) in vitro and in vivo, and protected neurons from the stimulation of hemin by promoting Nrf2 nuclear translocation. Treatment with ML385 (Nrf2 inhibitor) completely reversed the protective effects of phillyrin in vivo after ICH injury. Based on our findings, we conclude that phillyrin treatment alleviates ICH injury-induced apoptosis and oxidative stress via activation of the Nrf2 signaling pathway, highlighting a potential role for phillyrin as an ICH therapeutic.

During past two decades, steroid hormones have raised significant public concerns due to their potential adverse effects on the hormonal functions of aquatic organisms and humans. Considering China being a big producer and consumer of steroid hormones, we summarize the current contamination status of steroid hormones in different environmental compartments in China, and preliminarily assess the associated risks to ecological systems. The results show that steroid hormones are ubiquitously present in Chinese surface waters where estrogens are the most studied steroids compared with androgens, progestogens and glucocorticoids. Estrone (E1), 17β-estradiol (17β-E2) and estriol (E3) are generally the dominant steroid estrogens in Chinese surface waters, whereas for the other steroids, androsterone (ADR), epi-androsterone (EADR), progesterone (PGT), cortisol (CRL) and cortisone (CRN) have relatively large contributions. Meanwhile, the investigations for the other environmental media such as particles, sediments, soils and groundwater have been limited, as well as for steroid conjugates and metabolites. The median risk quotients of most steroid hormones in surface waters and sediments are lower than 1, indicating low to moderate risks to local organisms. This review provides a full picture of steroid distribution and ecological risks in China, which may be useful for future monitoring and risk assessment. More studies may focus on the analysis of steroid conjugates, metabolites, solid phase fractions, analytical method development and acute/chronic toxicities in different matrices to pursue a more precise and holistic risk assessment.

Retinoblastoma (RB) is one of the most common intraocular malignancies in children, which causes vision loss and even threatens life. Eriodictyol is a natural flavonoid with strong anticancer activity. Some studies have shown that eriodictyol exerts anticancer effects in glioma, colon cancer, and lung cancer; however, no studies have reported the anticancer effects of eriodictyol on RB. Therefore, the aim of this study was to investigate the anticancer activity of eriodictyol against the RB Y79 cell line and its potential mechanism of action. Interestingly, we found that eriodictyol inhibited the proliferation, migration, and invasion of Y79 cells in a dose-dependent manner and decreased the expression of MMP-2 and MMP-9 proteins in the cells. In addition, eriodictyol-induced apoptosis in Y79 cells was assessed by flow cytometry and immunoblotting. Here, our study revealed that eriodictyol dose dependently inhibited the activation of the PI3K/Akt signaling pathway. Notably, the effect of eriodictyol on RB apoptosis was reversed by a PI3K agonist 740 Y-P. In conclusion, our study shows that eriodictyol effectively inhibits proliferation, migration, and invasion and induces apoptosis in RB cell lines, which may be the result of blocking the PI3K/Akt signaling pathway. Thus, eriodictyol may provide a new theoretical basis for exploring targeted antitumor natural therapies.

As one of the simplest hydrocarbons, methane (CH4) has great potential in the research of superconductors. However, the metallization of CH4 has been an issue for a long time. Here, we report the structure, metallization, and superconductivity of CH4 doped by Be at low pressures, based on first-principles calculations. The result shows that the thermodynamically stable BeCH4 with P space-group can transform into a metal at ambient pressure. This ternary hydride BeCH4 exhibits a superconductivity of ∼6 K below 25.6 GPa. Interestingly, the superconducting critical temperature of BeCH4 can reach ∼30 K at 80 GPa in the form of an a-P1 space-group phase. The charge transfer from Be to CH4 molecules plays an important role in the superconductivity. Our results present a novel way to realize the metallization of methane at relative pressures and indicate that the doped methane is a potential candidate for seeking high temperature and low pressure superconductivity.

Carbon nanotube thin film transistor (CNT-TFT) is an emerging technology for future macroelectronics, such as chemical and biological sensors, optical detectors, and the backplane driving circuits for flat panel displays. The mostly reported fabrication method of CNT-TFT is a lift-off based photolithography process. In such fabrication process, photoresist (PR) residue contaminates the interface of tube-metal contact and deteriorates the device performance. In this paper, ultraviolet ozone (UVO) and oxygen plasma treatments were employed to remove the PR contamination. Through our well-designed experiments, the UVO treatment is confirmed an effective way of cleaning contamination at the tube-metal interface, while oxygen plasma treatment is too reactive and hard to control, which is not appropriate for CNT-TFTs. It is determined that 2-6 min UVO treatment is the preferred window, and the best optimized treatment time is 4 min, which leads to 15% enhancement of device performance.

Carbon nanotube thin film transistors (CNT-TFTs) are regarded as promising technology for active matrix pixel driving circuits of future flat panel displays (FPD). For FPD application, unipolar thin film transistors (TFTs) with high mobility (μ), high on-state current (ION), low off-current (IOFF) at high source/drain bias and small hysteresis are required simultaneously. Though excellent values of those performance metrics have been realized individually in different reports, the overall performance of previously reported CNT-TFTs has not met the above requirements. In this paper, we found that yttrium oxide (Y2O3) capping is helpful in improving both ION and μ of CNT-TFTs. Combining Y2O3 capping and Al2O3 passivation, unipolar CNT-TFTs with high ION/IOFF (>107) and low IOFF (∼pA) at −10.1 V source/drain bias, and relatively small hysteresis in the range of −30 V to +30 V gate voltage were achieved, which are capable of active matrix display driving.

Bacterial cellulose is a widely dispersed biofilm matrix component, yet the role of cellulose synthesis-encoding gene on the settlement of macrofouling organisms remains elusive. Here, the functional role of the cellulose synthesis gene bcsQ of the bacterium Pseudoalteromonas marina on settlement of Mytilus coruscus larvae was investigated. It was found that the deficiency of the gene bcsQ was associated with biofilm-settlement inducing activity, the secretion of bacterial α- and β-polysaccharides, and cytosolic c-di-GMP content change. The deletion of the gene bcsQ downregulated c-di-GMP level accompanied by reduced production of polysaccharides including cellulose and colanic acid. Bacterial characteristics in the deficient knockout of bcsQ also changed showing a slow cell growth, reducing biofilm forming capacity and increasing biofilm dispersion. The larval settlement rate of M. coruscus onto the ΔbcsQ biofilm was about 46% lower than that of the wild-type strain in comparison. Therefore, the gene bcsQ manipulates cytosolic c-di-GMP that controls secretion of exopolysaccharides and biofilm formation, and indirectly regulates mussel settlement. The present findings shed new light on interactions among function of bacterial cellulose biosynthesis gene, biofilm formation and the settlement of typical fouling organisms.

We report the crystal structure and superconductivity of a new ternary boride Mo5GeB2. Mo5GeB2 crystallizes in a Cr5B3-type structure with a space group of I4/mcm (No. 140). The lattice parameters are a = 6.0721(1) A, and c = 11.1173(2) A. A type-II superconductivity of Tc = 5.8 K is revealed by resistivity, magnetization, and heat capacity measurements. The upper and lower critical fields are 0.52 T and 77.1 mT, respectively. The temperature dependence of low temperature specific heat follows the description of a BCS superconductor with an isotropic s-wave gap (Δ0 = 0.93 meV). However, both the values of the normalized specific heat change (ΔCe/γTc = 1.63) and the coupling strength (Δ0/kBTc = 1.87) exceed the BCS weak-coupling limit, indicating an intermediate coupling in Mo5GeB2.

A new sp–sp 2-hybridized tetragonal carbon allotrope, namely Tetra-carbon, is predicted through the evolutionary particle swarm structural search. Tetra-carbon has a 3D framework composed of sp 2 carbon helixes connected by linear sp carbon chains, similar to the interconnected network of propadienyl groups, which forms the well-proportioned microporous structure. Tetra-carbon is thermodynamically more stable than known graphdiyne and carbyne carbon and also shows mechanical and dynamic stabilities at ambient pressure. Tetra-carbon is a semiconductor with an indirect band gap of 3.27 eV and has anisotropic tensile strengths with an unexpected large tensile strain of 0.64 along the [001] direction. Base on the analysis of Poisson’s ratios as well as the tensile strains, it is significantly revealed that Tetra-carbon is a mechanically ductile microporous carbon allotrope in contrast with the known brittle carbons such as diamond, potentially applied in the fields where the ductile metals are available.

This paper reports the systematic performance evaluation and mechanism elucidation of a multi-layered graphene oxide (GO) membrane in removing ionic and organic species from water at different pH levels. The rejections of representative monovalent (Na + , Cl - ) and multivalent ions (SO 4 2- , Mg 2+ ) as well as organic dyes (methylene blue, rhodamine-WT) and pharmaceutical and personal care products (triclosan, triclocarban) by the GO membrane were tested in a reverse osmosis membrane system. It was found that, at pH 7, the GO membrane exhibited high removal of multivalent cations/anions and all tested organics, regardless of their charges, sizes, or hydrophobic properties, but low removal of monovalent ions. Such removal behavior is dramatically different from that of traditional nanofiltration membranes, which are often negatively charged and can only remove multivalent ions and organics that also bear negative charges. As pH varied, the key properties (e.g., charge, interlayer spacing) of the GO membrane were significantly changed, leading to different pH-dependent interfacial phenomena and separation mechanisms, and demonstrating the promise of using the GO membrane as a pH-responsive membrane. It was also revealed that the molecular shape of some organics (e.g., triclocarban) greatly affected their removal due to the mobility and thus π-π interaction of such organics with the carbon surface of the GO membrane. Finally, implications for the future development of high-performance GO membranes are discussed.

Morus nigra is an excellent source of polyphenols which, are associated with its functional properties. Lactic acid bacteria have been reported to hydrolyse complex polyphenols into simpler and more bioactive compounds during fermentation. Fermentation process depends on multiple parameters to obtain a desired product. The study evaluated the effects of fermentation parameters [temperature (TF), pH, inoculum concentration (IC) and brix (°Bx) on the phytochemical properties of lactic-acid-fermented mulberry juice (LFMJ)]. Correlation analysis showed that quadratic polynomial model could be used to illustrate the influence of fermentation parameters on phytochemical properties of LFMJ. Response surface plots showed that these independent variables significantly influenced the phytochemical content of LFMJ. The outcome of the study demonstrated that lactic acid fermentation significantly impacted on the total phenolic, anthocyanin and flavonoid contents of the beverage. The optimum fermentation conditions to obtain the highest phenolic, anthocyanin and flavonoid contents were TF (40 °C), pH (4.0), IC (3.90% v/v) and °Bx 14. Under the above-mentioned conditions, the experimental results obtained [total phenolic content (928.12 ± 3.05 mg/100 ml), total anthocyanin content (131.85 ± 1.03 mg/100 ml) and total flavonoid content (440.50 ± 2.00 mg/100 ml)] were in line with the predicted values—total phenolic content (879.25 mg/100 ml), total anthocyanin content (128.99 mg/100 ml) and total flavonoid content (436.63 mg/100 ml)) and an overall desirability of 0.911. The LFMJ was found to have a significant (P

Background: Age-related estrogen deficiency leads to accelerated bone resorption. There is evidence that, through selective estrogen receptor modulation, isoflavones may exert beneficial effects against estrogen-deficient bone loss. Isoflavone aglycones show higher bioavailability than their glycosidic counterparts and thus may have greater potency.Objective: To summarize evidence, we executed a systematic review and meta-analysis examining isoflavone therapies and bone mineral density (BMD) loss in peri- and postmenopausal women.Design: We systematically searched EMBASE and PubMed for randomized controlled trials (RCTs) evaluating isoflavone therapies for treating BMD loss at the lumbar spine and femoral neck in estrogen-deficient women. Separate meta-analyses were carried out with the use of random-effects models for the lumbar spine and femoral neck for all studies providing isoflavones as aglycones.Results: Twenty-six RCTs (n = 2652) were included in the meta-analysis. At the lumbar spine, isoflavone treatment was associated with a significantly (P < 0.00001) higher weighted mean difference (WMD) of BMD change of 0.01 (95% CI: 0.01, 0.02) than the control. For the femoral neck (18 RCTs, n = 1604), isoflavone treatment showed a significantly (P < 0.01) higher WMD of BMD change of 0.01 (95% CI: 0.00, 0.02) compared with the control. When isolating studies that provide isoflavone aglycones in their treatment arm, the average effect was further significantly increased at the spine (5 RCTs, n = 682) to 0.04 (P < 0.00001; 95% CI: 0.02, 0.05) and femoral neck (4 RCTs, n = 524) to 0.03 (P < 0.05; 95% CI: 0.00, 0.06) compared with the control. This protective effect against bone loss disappeared when only studies with formulations comprising predominantly isoflavone glycosides were included.Conclusions: Isoflavone treatments exert a moderately beneficial effect against estrogen-deficient bone loss in women. The effect appears dependent on whether isoflavone treatments are in aglycone form; we conclude that beneficial effects against bone loss may be enhanced for isoflavone aglycones.

Background T-cell acute lymphoblastic leukemia (T-ALL) is a lymphoid malignancy caused by the oncogenic transformation of immature T-cell progenitors with poor outcomes. WP1130 has shown potent activity against a variety of cancer but whether WP1130 has anti-T-ALL activity is not clear. USP24, one target of WP1130, is one of the largest deubiquitinases and its detailed mechanism is poorly understood. The aim of this study was to explore whether WP1130 could suppress T-ALL and the role of USP24 in T-ALL. Methods Molecular docking and cellular thermal shift assay were performed to determine whether and how WP1130 directly interact with USP24. Mitochondrial transmembrane potential assay was measured via Rhodamine 123 staining. USP24 was reactivated using the deactivated CRISPR-associated protein 9 (dCas9)-synergistic activation mediator (SAM) system. The in vivo results were examined by tumor xenografts in NOD-SCID mice. All statistical analyses were performed with the SPSS software package. Results WP1130 treatment decreased the viability and induces apoptosis of T-ALL cells both in vitro and in vivo. Furthermore, we demonstrated that knockdown of USP24 but not USP9X could significantly induce growth inhibition and apoptosis of T-ALL cells. Oncomine database showed that USP24 expression was upregulated in T-ALL samples and Kaplan–Meier results indicated that the USP24 was negatively but USP9X was positively associated with survival in T-ALL patients. Additionally, we proposed that WP1130 directly interacts with the activity site pocket of USP24 in T-ALL cells, which leads to the decrease of its substrates Mcl-1. Mechanistically, WP1130 induces apoptosis by accelerating the collapse of mitochondrial transmembrane potential via USP24-Mcl-1 axis. Conclusions Altogether, using WP1130 as a chemical probe, we demonstrate that USP24 but not USP9X is a novel target in T-ALL cells. Moreover, we uncovered that WP1130 induces apoptosis by accelerating the collapse of mitochondrial transmembrane potential via USP24-Mcl-1 axis. These results provide that USP24-Mcl-1 axis may represent a novel strategy in the treatment of T-ALL and WP1130 is a promising lead compound for developing anti-T-ALL drugs. Electronic supplementary material The online version of this article (10.1186/s12935-019-0773-6) contains supplementary material, which is available to authorized users.

The introduction of nanomaterials to hydrogels is an effective way to improve the mechanical properties of hydrogels. Herein, carbon nanodot (C-dot) as a new-found excellent nanomaterial is first added to polyvinyl alcohol (PVA) hydrogel to prepare PVA/C-dot hydrogel by freeze–thaw method. The appropriate size and plenty of surface functional groups make C-dot an ideal nucleating agent for PVA crystallization, which leads to form a denser and more uniform cross-linked network in PVA hydrogel, and in turn enhance the mechanical properties of PVA hydrogel. Compared to pure PVA hydrogel, about a 46.4% increase of tensile strength and 18.5% increase of elongation at break are achieved when the content of C-dot in PVA/C-dot hydrogel is 2 wt%, suggesting that C-dot can effectively improve the mechanical properties of PVA hydrogel. Besides, C-dot can endow PVA hydrogel with some new properties, such as fluorescence and reducibility. Herein, Ag nanoparticles are simply introduced and uniformly dispersed in PVA hydrogels with the help of reducibility of C-dot, which can greatly enhance the antibacterial activity of PVA/C-dot hydrogels, and enlarge their application potential in medical field.

Four Co(II) coordination polymers, [Co(L) 2 (1,4-bdc)] n ( 1 ), [Co 0.5 (HL)(Hbtc)] n ( 2 ), {[Co(L)(1,3-bdc)(H 2 O)]·1.5H 2 O} n ( 3 ) and {[Co 2 (L) 2 (nip) 2 ]·2H 2 O} n ( 4 ) (L = 4,4′-bis(benzimidazol-1-ylmethyl)biphenyl, 1,4-H 2 bdc = 1,4-benzenedicarboxylic acid, H 3 btc = 1,3,5-benzenetricarboxylic acid, 1,3-H 2 bdc = 1,3-benzenedicarboxylic acid, H 2 nip = 5-nitroisophthalic acid) have been synthesized under hydrothermal reaction conditions. Both complexes 1 and 2 feature chain structures, and 2 is ultimately extended into a 2D supramolecular framework via classic hydrogen bonding interactions. Complex 3 possesses a (4,4) grid with {4 4 .6 2 } topology. Complex 4 displays a 2D (6,3) layer, which is further extended into a 3D supramolecular network with unusual binodal (3,4)-connected sqc1425 topology via O–H⋯O hydrogen bonding interactions. Additionally, the thermal stability, UV/Vis diffuse-reflection spectra and photocatalytic behaviors of these CPs have also been investigated.

A new kind of agar-polyacrylamide/graphene oxide (agar-PAM/GO) nanocomposite double network (DN) hydrogels is successfully synthesized using one-pot method. The agar-PAM/GO DN hydrogel consists of first agar network cross-linked via hydrogen bond and second PAM network with GO severing as physically cross-linking agent. The factors that influence the mechanical properties of agar-PAM/GO DN gel is investigated. The DN hydrogel exhibits excellent mechanical properties with fracture strain of 4 600% and fracture strength of 332 kPa. In addition, the DN hydrogel shows a good fatigue resistance and self-healing ability.

In this study, eight physical and chemical pretreatments were compared in terms of their enhancements on biomass enzymatic saccharification in reed. Despite 8% NaOH pretreatment could result in 100% biomass enzymatic digestion while co-supplied with 1% Tween-80, it only produced bioethanol at 10% (% dry matter). By comparison, 10% CaO pretreatment with Tween-80 is a relatively low-cost biomass conversion with ethanol yield at 12%. Notably, the steam-explosion pretreatment with 1% Tween-80 could cause a complete biomass enzymatic hydrolysis with bioethanol yield at 17%. The sequential 5% CaO pretreatment with the steam-exploded residues could lead to the highest ethanol yield at 19% with an almost complete sugar–ethanol conversion rate. Due to much low-DP cellulose and less noncellulosic polymers (lignin, hemicelluloses) that increase biomass surfaces, the steam-exploded residues were specifically effective for Tween-80 either to block lignin absorbing with cellulases or to disassociate hemicelluloses, leading to an efficient lignocellulose enzymatic digestion. Compared with previously reported pretreatments in other C4-grasses (Miscanthus, corn, sweet sorghum, switchgrass), to our knowledge, this study has therefore provided three more applicable approaches for high ethanol production with relatively low cost, less contaminate release and efficient biomass conversion rates in reed.

Four novel AlN phases with low density and high hardness are predicted by using a evolutionary methodology on structural search. All four phases are thermodynamically more favourable than the rock salt structure of AlN at ambient pressure and will be transformed to rock salt AlN at certain pressure. All these phases are mechanically and dynamically stable by checking the independent elastic constants and phonon dispersion spectra. The calculated mechanical properties reveal that the proposed AlN phases are hard, and the Vickers hardness of the AlN phases ranges from 13.2 GPa to 15.2 GPa. The calculated band structures of the novel AlN phases reveal that these AlN phases possess semiconductive properties with wide direct band gaps at G points, and the gaps range from 3.627 eV to 3.927 eV.

Superior mechanical, recoverable, and swelling properties are important for the application practice of hydrogel. However, most of the hydrogels do not possess those three features at the same time. Herein, we have prepared a novel low chemical cross-linked polyacrylamide (PAM)/carbon nanodot (C-dot) hydrogel by introducing the C-dot into low chemically cross-linked PAM network. C-dot acts as both a physical cross-linker and lubricant in the low chemical cross-linked PAM network, and the synergistic effect between C-dot and PAM chains endows the hydrogel with extraordinary mechanical, recoverable, and swelling properties. The as-prepared hydrogel can be stretched over 3700% with fracture strength as high as 166 kPa, and it can keep high recoverability even when it is stretched up to 500% (more than 97% recovery ratio). Furthermore, the highest swelling ratio of the hydrogel is up to 235 times, which is much higher than that of the conventional PAM hydrogel. Moreover, even in the swelling equilibrium state...

Two Zn(II) coordination polymers, formulated as {[Zn(L1)0.5(btc)0.5(H2O)]·H2O} n (1) and {[Zn(L2)(1,4-ndc)]·2H2O} n (2) [L1 = 1,4-bis(2-methylbenzimidazole-1-ylmethyl)benzene, L2 = 1,4-bis(2-methylbenzimidazole)butane, H4btc = butane-1,2,3,4-tetracarboxylic acid, 1,4-H2ndc = 1,4-naphthalenedicarboxylic acid] have been synthesized and structurally characterized by single crystal X-ray diffraction. Complex 1 features a 3D (3,4)-connected network with the topology of fsh-3,4-P21/c. Complex 2 is a 2D (4,4) grid with sql topology and further extends into a 3D supramolecular framework by π–π stacking interactions. In addition, the thermal stability, fluorescence, and catalytic properties of two complexes for degrading methyl orange dye in a Fenton-like process were investigated.

A 3D 4-coordinated self-catenated metal-organic framework {[Co(bibp)(1,4-chdc)]·2H2O}n (1) (bibp = 4,4'-bis(1-imidazolyl)biphenyl, 1,4-H2chdc = 1,4-cyclohexanedicarboxylic acid) has been synthesized by hydrothermal reaction and its structure has been determined. This framework buries an unprecedented 4-coordinated self-catenated net that can be represented as an array of honeycomb-like units catenated in an inclined mode, with the highest topological density among the 4-coordinated nets that occur in crystal structures. Additionally, the thermogravimetric, photo-catalytic and electrochemical behaviors have been investigated.

Tungsten is both naturally occurring and an anthropogenically released contaminant metal in soils, sediments and water systems that typically exits as the soluble tungstate oxyanions, W(VI)O42−. Tungsten mobility and fate are strongly dependent on the adsorption of tungstate to mineral surfaces. However, environmental mineral surfaces are commonly coated with natural organic matter (NOM), and the role of this coating in the tungsten adsorption process, and thus in controlling tungsten reactivity and transport, is unclear. This study investigates W(VI) adsorption to ferrihydrite (Fh), a ubiquitous iron (hydr)oxide in soils and sediments, both in the absence and presence of humic acid (HA), a widely occurring type of NOM, using batch experiments coupled with spectroscopic and thermodynamic techniques. Kinetic results indicate that access to the adsorption sites for W(VI) on the organomineral surfaces is limited when Fh is coprecipitated with HA. Commensurate with this observation, batch experiments show that HA decreases W(VI) adsorption to Fh over a wide pH range (4–11), and this inhibitory effect is more pronounced at higher HA concentration. X-ray photoelectron spectroscopy (XPS) measurements demonstrate the formation of inner-sphere type W complexes on both the Fh and HA fraction of the Fh-HA binary composite. In particular, ~40% of the adsorbed W(VI) species is reduced to W(V) in the presence of HA. Attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) results show the presence of poly tungstate species on Fh, particularly at lower pH and in the presence of HA. Isothermal titration calorimetry shows that W(VI) adsorption to Fh is an exothermic process both in the presence and absence of HA, and that process is accompanied by a positive entropy. The findings of this work suggest that NOM not only mobilizes tungstate but also reduces tungstate from W(VI) to W(V) at environmental iron (hydr)oxide-water interfaces, which is of significance for evaluating the migration and bioavailability of tungsten in both natural and contaminated environments.

In the work, defatted muscle proteins of monkfish (Lophius litulon) were separately hydrolyzed by pepsin, trypsin, and in vitro gastrointestinal (GI) digestion methods, and antioxidant peptides were isolated from proteins hydrolysate of monkfish muscle using ultrafiltration and chromatography processes. The antioxidant activities of isolated peptides were evaluated using radical scavenging and lipid peroxidation assays and H2O2-induced model of HepG2 cells. In which, the cell viability, reactive oxygen species (ROS) content, and antioxidant enzymes and malondialdehyde (MDA) levels were measured for evaluating the protective extent on HepG2 cells damaged by H2O2. The results indicated that the hydrolysate (MPTH) prepared using in vitro GI digestion method showed the highest degree of hydrolysis (27.24 &plusmn, 1.57%) and scavenging activity on a 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical (44.54 &plusmn, 3.12%) and hydroxyl radical (41.32 &plusmn, 2.73%) at the concentration of 5 mg protein/mL among the three hydrolysates. Subsequently, thirteen antioxidant peptides (MMP-1 to MMP-13) were isolated from MPTH. According to their DPPH radical and hydroxyl radical scavenging activity, three peptides with the highest antioxidant activity were selected and identified as EDIVCW (MMP-4), MEPVW (MMP-7), and YWDAW (MMP-12) with molecular weights of 763.82, 660.75, and 739.75 Da, respectively. EDIVCW, MEPVW, and YWDAW showed high scavenging activities on DPPH radical (EC50 0.39, 0.62, and 0.51 mg/mL, respectively), hydroxyl radical (EC50 0.61, 0.38, and 0.32 mg/mL, respectively), and superoxide anion radical (EC50 0.76, 0.94, 0.48 mg/mL, respectively). EDIVCW and YWDAW showed equivalent inhibiting ability on lipid peroxidation with glutathione in the linoleic acid model system. Moreover, EDIVCW, MEPVW, and YWDAW had no cytotoxicity to HepG2 cells at the concentration of 100.0 &micro, M and could concentration-dependently protect HepG2 cells from H2O2-induced oxidative damage through decreasing the levels of reactive oxygen species (ROS) and MDA and activating intracellular antioxidant enzymes of superoxide dismutase (SOD), catalase (CAT), and glutathione peroxidase (GSH-Px). These present results indicated that the protein hydrolysate and isolated antioxidant peptides from monkfish muscle, especially YWDAW could serve as powerful antioxidants applied in the treatment of some liver diseases and healthcare products associated with oxidative stress.

In this study, liquid hot water (LHW) and chemical (H2SO4, NaOH, CaO) pretreatments were performed in Saccharum species including sugarcane bagasse. In comparison, the LHW and CaO pretreatments significantly enhanced biomass enzymatic hydrolysis, leading to much high bioethanol yield obtained at 19% (% dry matter) with an almost complete hexoses-ethanol conversion in the desirable So5 bagasse sample. Despite the LHW and CaO are distinctive for extracting hemicellulose and lignin, both pretreatments largely reduced cellulose degree of polymerization for enhanced lignocellulose enzymatic saccharification. Further chemical analysis indicated that the pretreated So5 sample had much lower cellulose crystalline index, hemicellulosic Xyl/Ara and lignin S/H ratio than those of other biomass samples, which explained that the So5 had the highest bioethanol yield among Saccharum species. Therefore, a mechanism model was proposed to elucidate how mild pretreatments could enhance biomass enzymatic saccharification for a high bioethanol production in the desirable sugarcane bagasse.

Human respiratory syncytial virus (HRSV) infection is a significant cause of morbidity and mortality, particularly among the children and the elderly. Despite extensive efforts, there is currently no formally approved vaccine and effective antiviral options against HRSV infection are limited. The development of vaccines and antiviral strategies for HRSV was partly hampered by the lack of an efficient lethal mouse model to evaluate the efficacy of the candidate vaccines or antivirals. In this study, we established a lethal HRSV mouse model by consecutively passaging a clinical HRSV isolate, GZ08-0. GZ08-18 was isolated from mouse bronchioalveolar lavage fluids at the 50th passage of GZ08-0. Importantly, all GZ08-18-inoculated mice succumbed to the infection by day 7 post infection, whereas all GZ08-0-inoculated mice recovered from the infection. Subsequent investigations demonstrated that GZ08-18 replicated to a higher titer in mouse lungs, induced more prominent lung pathology, and resulted in higher expression levels of a number of key pro-inflammatory cytokines including IFN-γ, MIP-1α, and TNF-α in comparison to that of GZ08-0. The cyclophosphamide pretreatment rendered the mice more susceptible to a lethal outcome with less rounds of virus inoculation. Full genome sequencing revealed 17 mutations in GZ08-18, some of which might account for the dramatically increased pathogenicity over GZ08-0. In addition, by using ribavirin as a positive control, we demonstrated the potential application of this lethal mouse model as a tool in HRSV investigations. Overall, we have successfully established a practical lethal mouse model for HRSV with a mouse-adapted virus, which may facilitate future in vivo studies on the evaluation of candidate vaccines and drugs against HRSV.

In this study, total eight distinct Miscanthus accessions were collected from the cadmium (Cd)-supplied soil pots, and mild alkali pretreatments (0.5%, 1% NaOH) were then performed to enhance biomass enzymatic saccharification. Due to large Cd accumulation, all Miscanthus accessions showed significantly reduced cellulose levels and features (CrI, DP) with much increased hemicellulose and pectin contents in the mature stems. Under mild alkali pretreatments, all Miscanthus samples exhibited largely increased hexoses yields released from enzymatic hydrolysis, and one desirable accession had an almost complete biomass saccharification with the hexoses yield at 100% (% cellulose). Notably, the biomass residues remained from enzymatic hydrolysis upon 1% NaOH pretreatment could absorb 73-96% Cd (% of total), suggesting an applicable approach for Cd phyto-remediation. Hence, a hypothetic model was proposed to elucidate that the enhanced biomass saccharification should be mainly due to much reduced cellulose CrI and DP in the Cd-accumulated Miscanthus accessions.

Growing concern about the adverse environmental and human health effects of a wide range of micropollutants requires the development of novel tools and approaches to enable holistic monitoring of their occurrence, fate and effects in the aquatic environment. A European-wide demonstration program (EDP) for effect-based monitoring of micropollutants in surface waters was carried out within the Marie Curie Initial Training Network EDA-EMERGE. The main objectives of the EDP were to apply a simplified protocol for effect-directed analysis, to link biological effects to target compounds and to estimate their risk to aquatic biota. Onsite large volume solid phase extraction of 50 L of surface water was performed at 18 sampling sites in four European river basins. Extracts were subjected to effect-based analysis (toxicity to algae, fish embryo toxicity, neurotoxicity, (anti-) estrogenicity, (anti-) androgenicity, glucocorticoid activity and thyroid activity), to target analysis (151 organic micropollutants) and to nontarget screening. The most pronounced effects were estrogenicity, toxicity to algae and fish embryo toxicity. In most bioassays, major portions of the observed effects could not be explained by target compounds, especially in case of androgenicity, glucocorticoid activity and fish embryo toxicity. Estrone and nonylphenoxyacetic acid were identified as the strongest contributors to estrogenicity, while herbicides, with a minor contribution from other micropollutants, were linked to the observed toxicity to algae. Fipronil and nonylphenol were partially responsible for the fish embryo toxicity. Within the EDP, 21 target compounds were prioritized on the basis of their frequency and extent of exceedance of predicted no effect concentrations. The EDP priority list included 6 compounds, which are already addressed by European legislation, and 15 micropollutants that may be important for future monitoring of surface waters. The study presents a novel simplified protocol for effect-based monitoring and draws a comprehensive picture of the surface water status across Europe. (C) 2017 Elsevier B.V. All rights reserved.

Two nickel(II) coordination polymers, formulated as {[Ni-2(bix)(2)(tbta)(2)(H2O)(4)]0.25H(2)O}(n) (1) and [Ni-2(bix)(aip)(2)(H2O)(2)](n) (2) [bix = 1, 4-bis(imidazol-1-ylmethyl)benzene, H(2)tbta = tetrabromoterephthalic acid, H(2)aip = 5-aminoisophthalic acid] were synthesized under hydrothermal conditions and structurally characterized by single-crystal X-ray diffraction methods, IR spectroscopy, TGA, and elemental analysis. Complex 1 exhibits a 2D (4, 4) layer with {4(4).6(2)} topology. Complex 2 shows 2D (3, 4)-connected 3,4L83 sheets, which are finally extended into an unusual (5, 6)-connected 3D supramolecular network by classic hydrogen bond interactions. Fluorescence, UV/Vis diffuse reflection spectra, and catalytic properties of two complexes for the degradation of the methyl orange dye in a photo-Fenton-like process were investigated.

Two Co(II) coordination polymers, formulated as [Co(bix)(tbta)]n (1) and [Co(bix)0.5(aip)(H2O)]n (2) (bix = 1,4-bis(imidazol-1-ylmethyl)benzene, H2tbta = tetrabromoterephthalic acid, H2aip = 5-aminoisophthalic acid) have been synthesized and structurally characterized by single crystal X-ray diffraction. Complex 1 features a 3D three-fold interpenetrating diamond framework. Complex 2 is a 2D (3,4) network with 3,4L83 topology and extend into an unusual (5,6)-connected 3D supramolecular framework via intermolecular hydrogen bonds. In addition, fluorescence and catalytic performances of complexes 1 and 2 for the degradation of Congo red dye in a photo-Fenton-like process were investigated.

Mesoporous graphene electrodes are facilely fabricated via a simple thermal treatment of graphene oxide as well as site-localized etching of Fe 3 O 4 nanoparticles (E-Gr-Fe 3 O 4 ). Influences of FeCl 2 precursor on the amount of Fe 3 O 4 nanoparticles and textural properties of E-Gr-Fe 3 O 4 are investigated. The obtained graphene framework exhibits a porous structure with a specific surface area of 362 m 2 /g and excellent specific capacity of 128 F/g, which is twice higher than that of pristine reduced graphene oxide electrodes (RGO, 66 F/g). With the enhanced electrochemical capacity, low inner resistance and good stability, the as-prepared mesoporous E-Gr-Fe 3 O 4 electrode exhibits a high electrosorptive capacity of 10.3 mg/g when the initial NaCl conductivity is 300 μs/cm, which is much higher than that of RGO (6 mg/g). The results demonstrate that E-Gr-Fe 3 O 4 is quite a promising candidate as high performance electrodes for capacitive deionization.

Three metal-organic coordination polymers, namely {[Cd(L1)(1,2-chdc)]·2H2O}n (1), {[Ni(L2)(1,2-chdc)]·H2O}n (2), and [Cd(L2)(npht)]n (3) [L1 = 1,2-bis(2-methylbenzimidazol-1-ylmethyl)benzene, L2 = 1,2-bis(5,6-dimethylbenzimidazol-1-ylmethyl)benzene, 1,2-H2chdc = 1,2-cyclohexanedicarboxylic acid, H2npht = 3-nitrophthalic acid] were synthesized under hydrothermal conditions and structurally characterized by single-crystal X-ray diffraction methods, IR spectroscopy, TGA, and elemental analysis. In compound 1, two 1,2-chdc2– ligands connect two neighboring Cd atoms to form a dinuclear [Cd2(1,2-chdc)2] subunit, which is further linked by L1 ligands to construct a 1D ladder-like chain. Compound 2 exhibits a 2D (4,4) coordination network with {44.62} topology, whilst compound 3 shows a 1D helical chain structure. The fluorescence, UV/Vis diffuse reflection spectra, and catalytic properties of complexes 1–3 for the degradation of the congo red azo dye in a Fenton-like process are investigated.

Exploration of novel hard metastable phases of silicon nitride was performed using a recently developed particle-swarm optimization method within the CALYPSO software package. Three potential hard metastable phases of t-Si{sub 3}N{sub 4}, m-Si{sub 3}N{sub 4}, and o-Si{sub 3}N{sub 4} were predicted. These phases are mechanically and dynamically stable at ambient pressure based on their elastic constants and phonon dispersions. t-Si{sub 3}N{sub 4} and m-Si{sub 3}N{sub 4} exhibit lower energies than γ-Si{sub 3}N{sub 4} at pressures below 2.5 GPa and 2.9 GPa, respectively, which promise that the formers could be obtained by quenching from γ-Si{sub 3}N{sub 4}. o-Si{sub 3}N{sub 4} is a better high-pressure metastable phase than CaTi{sub 2}O{sub 4}-type Si{sub 3}N{sub 4} proposed by Tatsumi et al. and it can come from the transition of γ-Si{sub 3}N{sub 4} under 198 GPa. The theoretical band gaps of t-Si{sub 3}N{sub 4}, m-Si{sub 3}N{sub 4}, and o-Si{sub 3}N{sub 4} at ambient pressure were 3.15 eV, 3.90 eV, and 3.36 eV, respectively. At ambient pressure, the Vickers hardness values of t-Si{sub 3}N{sub 4} (32.6 GPa), m-Si{sub 3}N{sub 4} (31.5 GPa), and o-Si{sub 3}N{sub 4} (36.1 GPa) are comparable to β-Si{sub 3}N{sub 4} and γ-Si{sub 3}N{sub 4}. With the pressure increasing, t-Si{sub 3}N{sub 4}, m-Si{submore » 3}N{sub 4}, and o-Si{sub 3}N{sub 4} will change from the brittle to ductile state at about 15.7 GPa, 7.3 GPa and 28.9 GPa, respectively. - Graphical abstract: This figure shows the crystal structures of three Si{sub 3}N{sub 4} predicted in this manuscript, and left to right: t-Si{sub 3}N{sub 4}, m-Si{sub 3}N{sub 4} and o-Si{sub 3}N{sub 4}. - Highlights: • We explored three metastable phases of Si{sub 3}N{sub 4} — t-Si{sub 3}N{sub 4}, m-Si{sub 3}N{sub 4}, and o-Si{sub 3}N{sub 4}. • The enthalpies of t and m- are much lower than that of γ at ambient pressure. • ois one further high pressure phase than γ. • o-Si{sub 3}N{sub 4} is the most hardest phase in Si{sub 3}N4 system. • Increasing pressure will change them from brittle to ductile state.« less

Polyacrylamide (PAM)/carbon nanodot (C-dot) nanocomposite (NC) hydrogels were successfully prepared by free radical polymerization using C-dots as cross-linkers. The storage modulus and the cross-link density of NC hydrogels compared with the pure PAM hydrogel were greatly enhanced due to strong hydrogen bonding interactions between PAM and C-dots. The swelling ratio of NC hydrogels increased with increasing the C-dot contents. The fracture strength of PAM/C-dot NC hydrogel was 47.5 kPa at a stretch of 2940% when the content of C-dots was 1 wt%. C-dots are an ideal nanomaterial for the preparation of novel NC hydrogels with excellent mechanical properties.

With a rapid increase of population, delivering clean and potable water to humans has been an impending challenge. Here, we report a green method for the preparation of graphene–chitosan–Mn3O4 (Gr–Cs–Mn3O4) composites, where Gr–Cs hydrogels are first prepared from the self-assembly of chitosan with graphene oxide (GO) nanosheets; then Gr–Cs–Mn3O4 composites are obtained by oxidizing Mn(II) ions which are adsorbed by Gr–Cs hydrogels. The effects of pH and mass ratio of GO to Cs on sorption of different ions are investigated. Enhanced capacitive deionization performance of Gr–Cs–Mn3O4 composites was also demonstrated. The resultant Gr–Cs–Mn3O4 composites exhibit a hierarchical porous structure with a specific surface area of 240 m2/g and excellent specific capacity of 190 F/g, much higher than those of pristine reduced graphene oxide electrodes. Distinguished electrochemical capacity and low inner resistance endow Gr–Cs–Mn3O4 composites with outstanding specific electrosorptive capacity of 12.7 mg/g.

Two new cobalt(II) coordination polymers, {[Co(L1)(tbta)]0.8H(2)O}(n) (1) and {[Co(L2)(tbta)]H2O}(n) (2) [L1 = 1,1-(1,3-propanediyl)bis(2-methylbenzimidazole), L2 = 1,2-bis(2-methylbenzimidazole-1-ylmethyl)benzene, H(2)tbta = tetrabromoterephthalic acid] were obtained under hydrothermal conditions and structurally characterized by single-crystal X-ray diffraction methods, IR spectroscopy, TGA, and elemental analysis. The cobalt atoms present similar environments with tetrahedral arrangements in 1 and 2. The two complexes show a 2D (4,4) coordination network with sql topology. Compound 2 is further extended into a rare 3,3,4T3 three-dimensional supramolecular framework by weak C-HO hydrogen bonding interactions. The fluorescence and catalytic properties of the complexes for the degradation of the congo red azo dye in a Fenton-like process were investigated.

A failure incident of heat-exchange tubes in ammonia evaporators, which suffered from unexpected wall thinning after only one-year service with respect to their original design lifetime of fifteen years, was reported and carefully analyzed. After overall inspection, many tube walls in the evaporators were found to experience severe degradations at both sides with distinct corroded defects and general cracking of corrosion layers. Thus, comprehensive investigations including external appearance, microscopic morphology and chemical composition were carried out by using a series of characterization methods. The analysis results demonstrated that the unexpected wall thinning of tubes was primarily ascribed to multiple corrosion factors including uniform corrosion, pitting and interaction behavior between them. Relative failure mechanisms were discussed in detail and prevention measures were also proposed for ammonia evaporators under similar operating condition.

A monoclinic BC3 phase (denoted M-BC3) has been predicted using first principles calculations. The M-BC3 structure is formed by alternately stacking sequences of metallic BC-layers and insulating C atom layers, thus, the structure exhibits two-dimensional conductivity. Its stability has been confirmed by our calculations of the total energy, elastic constants, and phonon frequencies. The pressure of phase transition from graphite-like BC3 to M-BC3 is calculated to be 9.3 GPa, and the theoretical Vickers hardness of M-BC3 is 43.8 GPa, this value indicates that the compound is a potentially superhard material. By comparing Raman spectral calculations of M-BC3 and previously proposed structures with the experimental data, we speculate that the experimentally synthesized BC3 crystal may simultaneously contain M-BC3 and Pmma-b phases.

Two ligands for coordination compounds incorporating benzimidazole moieties, namely 1,1′-butane-1,4-diylbis(5,6-dimethyl-1H-benzimidazole) and 1,1′-butane-1,4-diylbis(1H-benzimidazole), are synthesized and then characterized both experimentally and theoretically. Their structures are studied by single crystal X-ray diffraction, UV-Vis spectroscopy, and FT-IR spectroscopy. The optimized geometries, vibrational frequencies, vertical excitation energies of the two ligands are calculated using the (TD)DFT/B3LYP/TZVP method. The calculated results reproduce the experimental data. Additional bonding information about the coordinated N atoms in the two ligands is obtained by FMO and NBO analysis to investigate the substitute-group effect on the coordination ability. The results confirm that the ligand with electron-donating methyl groups on the benzimidazole moieties has a stronger coordination ability.

Three-dimensional reduced graphene oxide–polypyrrole–MnO2 (RGO–PPy–Mn) composites are facilely prepared by a two-step hydrothermal process. Pyrrole (Py) monomers are polymerized to PPy by KMnO4 in the presence of graphene oxide (GO), and then MnO2 is obtained simultaneously after redox reaction between graphene and KMnO4 to produce RGO–PPy–Mn composites. The influences of the mass ratio of Py to GO and the mole ratio of KMnO4 to Py on RGO–PPy–Mn composites are investigated. The resultant composites exhibit a hierarchical porous structure with a specific surface area of 331 m2 g−1 and excellent specific capacity of 356 F g−1, much higher than those of pure RGO or PPy electrodes. Enhanced electrochemical capacity and low inner resistance endow RGO–PPy–Mn composite electrodes with an outstanding specific electrosorptive capacity of 18.4 mg g−1. Furthermore, RGO–PPy–Mn composite electrodes have good rate stability and cycling stability for capacitive deionization applications.

Hailun Zheng,1,2,* Huang Hong,1,* Lulu Zhang,1,2,* Xiong Cai,1,2 Meng Hu,1,2 Yuepiao Cai,2 Bin Zhou,1 Jiayuh Lin,3 Chengguang Zhao,2 Wanle Hu1 1Department of Coloproctology, The Second Affiliated Hospital and Yuying Children’s Hospital of Wenzhou Medical University, 2Chemical Biology Research Center, School of Pharmaceutical Sciences, Wenzhou Medical University, Wenzhou, Zhejiang, People’s Republic of China; 3Department of Biochemistry and Molecular Biology, University of Maryland Greenebaum Comprehensive Cancer Center, University of Maryland School of Medicine, Baltimore, MA, USA *These authors contributed equally to this work Abstract: Activation of the signal transducer and activator of transcription 3 (STAT3) is observed in multiple cancer types, including gastric cancer, and represents a potential drug target for chemotherapy. Currently, clinically available small-molecule inhibitors targeting STAT3 are lacking. Here, we report that nifuratel, an antiprotozoal and antifungal drug, is a potent inhibitor of STAT3. We found that nifuratel significantly suppressed proliferation and induced apoptosis of gastric cancer cells. Studies of the mechanism of action of nifuratel indicated that it acts by inhibiting the constitutive and interleukin-6-induced STAT3 activation. Taken together, our findings demonstrate that nifuratel may be a novel, clinically accessible STAT3 inhibitor in gastric cancer cells. Keywords: nifuratel, STAT3, gastric cancer, inhibitor, drug

We have found that the [Ni4Al(OH)10]OH transforms into β-Ni(OH)2, because Al3+ ions are leached out into the electrolyte to form Al(OH) 4 − . From thermodynamic point of view, Al(OH) 4 − may retard the structural transformation, and it is directly supported by experiments on [Ni4Al(OH)10]OH soaked in the electrolyte containing at 60°C. Constant potential polarizations show the electrolyte containing Al(OH) 4 − at 60°C. Constant potential polarizations show the electrolyte containing Al(OH) 4 − can suppress the oxygen evolution at higher electrode potentials. The existence of Al(OH) 4 − in the electrolyte can obviously improve the charge/discharge performances under the current density of 1000 mA g−1 at 60°C.

The modification of lutetium hydroxide on a layered double hydroxide (LDH), [Ni4Al(OH)10]NO3, is carried out by coprecipitation and thereafter hydrothermal treatment. When the content of Lu is less, only X-ray diffractions (XRD) due to [Ni4Al(OH)10]NO3 are found. When the content is 2.89 wt% or more in the product, a series of low-intensity diffractions is identified, which can be indexed with a triclinic cell, space group $$ P\overline{1} $$ . After the modification, the a lattice parameter for Ni-Al layered double hydroxide does not show any considerable changes, which means Lu3+ could not be incorporated into M(OH)2 (M=Ni, Al) layers because of its larger ion radius (85 pm). According to the observations by scanning electron microscopy (SEM) or transmission electron microscopy (TEM), with low Lu content, single nanorods appear among the disks of [Ni4Al(OH)10]NO3 and turn into bundles with high Lu content. The modification of Lu prevents the structural transformation of the Ni-Al LDH into β-Ni(OH)2. It can be found that the transformation is stopped by 0.9 wt% Lu when being soaked in 7.0 mol L−1 potassium hydroxide (KOH) for 72 days at 60 °C, or by 1.29 wt% Lu after the 25th charging/discharging cycle at 60 °C in the same alkali solution. The modification also improves the high-temperature performances of the electrode. At a high temperature of 60 °C, the 2.89 wt% Lu-modified [Ni4Al(OH)10]NO3 has a more slowly reduced capacity of 265.8 mAh g−1 after 25 charge/discharge cycles under a current density of 800 mA g-1 in 7.0 mol L−1 KOH, while the [Ni4Al(OH)10]NO3 has a sharply reduced capacity of 202.7 mAh g−1 under the same condition.

Porous scaffolds consisting of bioactive inorganic nanoparticles and biodegradable polymers have gained much interest in bone tissue engineering. We report here a facile approach to fabricating poly(l-lactic acid)-grafted hydroxyapatite (g-HAp)/poly(lactide-co-glycolide) (PLGA) nanocomposite (NC) porous scaffolds by solvent evaporation of Pickering high internal phase emulsion (HIPE) templates, where g-HAp nanoparticles act as particulate stabilizers. The resultant porous scaffolds exhibit an open and rough pore structure. The pore structure and mechanical properties of the scaffolds can be tuned readily by varying the g-HAp nanoparticle concentration and internal phase volume fraction of the emulsion templates. With increasing the g-HAp concentration or decreasing the internal phase volume fraction, the pore size and the porosity decrease, while the Young's modulus and the compressive stress enhance. Moreover, the in vitro mineralization tests show that the bioactivity of the scaffolds increases with increasing the g-HAp concentration. Furthermore, the anti-inflammatory drug ibuprofen (IBU) is loaded into the scaffolds, and the drug release studies indicate that the loaded-IBU exhibits a sustained release profile. Finally, in vitro cell culture assays prove that the scaffolds are biocompatible because of supporting adhesion, spreading, and proliferation of mouse bone mesenchymal stem cells. All the results indicate that the solvent evaporation based on Pickering HIPE templates is a promising alternative method to fabricate NC porous scaffolds for potential bone tissue engineering applications.

Four 15-L lab-scale continuous stirred tank reactors were operated under mesophilic conditions to investigate the effect of ammonia inhibition. Stable isotope fingerprinting of biogas was applied as a process monitoring tool. Ammonia inhibition was initiated by amendment of chicken manure to maize silage fed reactors. During the accumulation of ammonia, the concentration of volatile fatty acids increased while the biogas production and pH decreased. However, in one reactor, an inhibited steady state with stable gas production even at high ammonia levels was achieved, while the other reactor proceeded to complete process failure. A depletion of the δ(13)CH4 and δ(13)CO2 values preceded the process inhibition. Moreover, the stable isotope composition of biogas also forecasted the complete process failure earlier than other standard parameters. The stable isotope analyses of biogas have a potential for mechanistic insights in anaerobic processes, and may be used to pre-warn process failure under stress conditions.