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[Display omitted] • Mg-Co-Ni LDH were homogenously grown on the surface of reduced graphene (Mg-Co-Ni LDH/rG- x). • The Mg-Co-Ni LDH/rG- x was fabricated by a novel ball milling combined ion-exchange method. • The present ball milling combined ion-exchange method is versatile and does not needs extra alkali sources or auxiliary assembly reagents. • The Mg-Co-Ni LDH/rG- x based asymmetric supercapacitor achieve high energy density and superlong cycling stability. As an electrode for energy storage, the inherently poor conductivity of metal hydroxides (MHs) can be improved by in situ growth of MHs on conductive carbon based substrates so that their performances on energy storage could be enhanced to a high level. However, the incompatibility of hydrophilic component (metal hydroxides) and hydrophobic counterpart (carbon based materials) makes it difficult to be accomplished. Herein, we presented a scalable and easy-operated strategy by ball-milling combined with ion-exchange technique to grow Mg-Co-Ni LDH (layered double hydroxides) on reduced graphene, in which ball-milling was utilized to disperse the staring material of magnesium acetate on graphene oxide (GO) to obtain the composite of Mg(Ac) 2 /GO. The composite can be in situ transformed to MgO/reduced grapheme (rG) by following heat treatment. While, the ion-exchange reaction could enables the in situ growth of Mg-Co-Ni LDHs on the reduced graphene. The derived products (denoted as Mg-Co-Ni LDH/rG- x) owns nanosheet morphology, surface area of 59–115 m2/g, homogenous elements distribution. As electrode for supercapacitor, the maximum capacitance of 1204F/g@1.0 A/g was achieved and the corresponding asymmetric supercapacitor device shows a large energy density of 44.3 Wh/kg@800 W/kg. Particularly, a superlong cycling stability with 90.5% capacitance retention of the first cycle was attained after continuous charge/discharge for 20 000 cycles at current density of 5.0 A/g, promising great potential for practical energy storage application. The present strategy is simple and scalable that can be widely applied to the synthesis of various hydroxides/oxides or multi-component hydroxides/oxides on carbon substrates forming a composite structure, thus offers a great potential for broad application areas including catalysis, adsorption, energy storage, etc. [ABSTRACT FROM AUTHOR]

[Display omitted] • Electrochemically active Oxygen doped carbon (O-PCNs) was fabricated by superbase templated method. • The template basicity on the functionalities and the supercapacitor performances of the derived O-PCNs were disclosed. • The O-PCN-20 is rich in porosity, large in surface area (930 m2/g) and high in active oxygen content (11.4 atom%). • · The O-PCN-20 electrode exhibits large capacitance of 375 F/g@1.0 A/g and energy density of 25.7 Wh/kg@900 W/kg. Templating techniques have been widely adopted for the synthesis of porous carbons, such as oxygen-doped porous carbon nanosheets (O-PCNs), but the effect of the surface characteristics of templates on the surface functionality and performance of a derived carbon has not been well studied. Herein, a series of laboratory-made superbases of K/Mg(OH) 2 with different K/Mg ratios were employed as template to fabricate nanocarbon materials. The aim is to find out how the strength of template basicity could influence the surface functionalities and the supercapacitor performances of the derived O-PCNs. The resulting materials are rich in conjugated hydroxyl and carbonyl groups that are electrochemically active owing to the protection of the conjugated hydroxyl group by KOH and the dehydrogenation step catalyzed by magnesium oxide. Systematic investigations revealed that with the increase of basic strength, the content of the derived electrochemically active oxygen species in the forms of conjugated carbonyl (C O) and hydroxyl (C OH) first increases from 8.4 atom% to 11.4 atom% then decreases to 9.25 atom%. Moreover, the microporosity of the O-PCNs stepwise increases with the rise of KOH loading, ascribable to the effect of KOH etching on the carbon skeleton. The O-PCN-20 templated by 20 % K/Mg(OH) 2 is rich in porosity, large in surface area (930 m2/g) and high in active oxygen content (11.4 atom%). With high active surface area and extra Faradaic capacitance, O-PCN-20 exhibited superior supercapacitor performances including large specific capacitance of 375 F/g@1.0 A/g, high rate capability of 81.1 % (from 1.0 A/g to 20 A/g), energy density of 25.7 Wh/kg@900 W/kg and excellent cycling stability with near 100 % capacitance retentions after 10 000 cycles and more than 86.2 % capacitance retention over 20 000 cycles at large current density of 10 A/g, indicating O-PCN-20 has potential to be used as electrode material for energy storage devices. [ABSTRACT FROM AUTHOR]

[Display omitted] Regenerable methods for phosphate (P) recycling have received intense attention due to their potential environmental and economic benefits. In this study, to improve the electrosorptive removal of P in membrane capacitive deionization, an activated carbon (AC) electrode was coated with a heterogeneous anion-exchange resin layer, and named the AE-AC composite electrode. It was shown that the AE-AC electrode exhibited a good capacitive behavior for electrical double-layer charging. The batch-mode experiments indicted that when the solution pH changed from 5 to 8, the predominant P species shifted from monovalent H 2 PO 4 − to divalent HPO 4 2− that was preferentially electroadsorbed for competitive electrosorption with Cl−. Importantly, the AE-AC composite electrode significantly increased the selectivity coefficient of P over Cl− to 0.56 that was 2.24-fold greater than that of the uncoated AC electrode, at 1.2 V in single-pass mode operation. This improvement can be ascribed to the preferential transport of P through the thin coating layer containing quaternary amine functional groups. The permselectivity of the coating also significantly increased the electrosorption capacity of P from 0.031 to 0.101 mmol/g with a high charge efficiency (97%) by the reduction in the co-ion repulsion effect. When the reverse voltage (−1.2 V) was applied, electroadsorbed P was reversibly desorbed from the AE-AC electrode in repeated operation. This work suggests that coating an anion-exchange resin layer on the surface of a carbon electrode shows great potential to improve the selective removal of P through electrosorption. [ABSTRACT FROM AUTHOR]

• An efficient method is presented for the recovery of In3+ from acidic solution. • The activated carbon electrode shows good capability for electrosorption of In3+. • The recovery of In3+ is mainly based on electrical double-layer charging. • In3+ ions are preferentially electrosorbed in a competitive environment. High-efficiency recycling technology for endangered elements effectively mitigates the risk of resource shortages and promises the sustainability of supply chains, which is significant to the industry. In this study, an activated carbon (AC)-based capacitive deionization (CDI) for the selective electrosorption and recovery of indium ions (In3+) from acidic aqueous solution is proposed. The effects of applied voltage, pH, and initial concentration of indium were investigated to optimize the operation parameters for In3+ electrosorption. The results of cyclic voltammetry and the galvanostatic charge/discharge measurements indicate that the AC electrode shows good capability for the electrosorption of In3+ based on electrical double-layer capacitance. As demonstrated, In3+ can be successfully removed by CDI without deposition when the pH < 4, as confirmed by scanning electron microscopy and energy dispersive X-ray spectroscopy. The deionization capacity of In3+ is 7.95 mg/g with an energy consumption of 0.84 kWh/mol in single-pass mode CDI with an initial concentration of 50 mg/L (pH = 3) at 1.2 V. However, the removal of In3+ is affected by the solution pH since hydrogen ions (H+) compete for electrosorption. Note that In3+ ions with high valence are preferentially electrosorbed on the electrode surface over H+ ions, exhibiting a selectivity coefficient of 2.12. Herein, in the charging step, a large number of H+ ions in solution are rapidly electrosorbed onto the electrode, while these H+ ions are gradually replaced by a small number of In3+ ions in solution. Therefore, this electrosorption process shows great potential for effectively recovering indium ions from acidic aqueous solutions. [ABSTRACT FROM AUTHOR]

The improvement of crop resistance to insect using endophytic fungi is an environmentally friendly and sustainable strategy for agricultural pest control. Clarifying the efficacy and mechanism of endophytic fungi in improving crop resistance to pest offers the opportunity for biological control. In this study, changes in the transcriptome and defense compounds of wheat inoculated with endophytic fungal strains (i.e., YC and BB) were evaluated, and the efficacy of endophytic fungi in improving wheat resistance to Rhopalosiphum padi was studied. The results showed that the numbers of upregulated differentially-expressed genes (DEGs) in wheat plants inoculated with endophytic fungal strains YC and BB were higher than those of the downregulated DEGs, irrespective of R. padi infestation. Defense-related metabolic pathways, such as plant hormone signal transduction and secondary metabolite biosynthesis pathways were significantly enriched. Endophytic fungal strains YC and BB significantly increased jasmonic acid, DIMBOA (2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one), total flavone, and tannin contents in wheat plants (P < 0.05) but decreased salicylic acid content. Variations in the contents of defense compounds were significantly correlated with decreased feeding, development, and reproduction of R. padi fed on wheat plants inoculated with strains YC and BB (| r | = 0.68–0.91, P < 0.05). The results suggested that endophytic fungi significantly decreased the feeding efficiency and population fitness [YC: (−11.13%) – (−22.07%); BB: (−10.98%) – (−22.20%)] of R. padi by altering the phytohormone pathway and secondary metabolite biosynthesis in wheat plants. This study helps in understanding of the efficacy of endophytic fungi in improving wheat resistance to insect and will be conducive to integrated pest management. [Display omitted] • The improvement of crop resistance to insect is a friendly and sustainable strategy. • Endophytic fungi YC and BB induced defense-related metabolic pathways in wheat. • Endophytic fungi YC and BB improved wheat resistance to R. padi. • Endophytic fungi can be conducive to integrated pest management. [ABSTRACT FROM AUTHOR]

China recently implemented a corporate average fuel consumption regulation and new-energy vehicle credit program (dual-credit system) to prompt the transition to new-energy vehicles. This study generalizes the dual-credit system (energy credit and green credit) and investigates its effects on the green technology investments (GTI) and pricing decisions in a two-echelon supply chain consisting of three possible scenarios, Case O (conventional product only), Case B (both conventional and green products), and Case G (green product only). The obtained results show that the GTI made by manufacturers follow high threshold and low threshold. The generalized dual-credit system increases both thresholds and promotes the transition from Case O to Case B and Case B to Case G. The transition is sensitive to standard energy consumption per-unit (SECP), green credit quota (GCQ), and price of green credit (PGC). The generalized dual-credit system benefits the manufacturers who exceed the low threshold, vice versa, especially for whose conventional product with lower initial energy consumption per unit. The generalized dual-credit system contributes to GTI and environment effects in all cases. But, the impacts on GTI, environment effects, and profit differ in sensitivity to SECP, GCQ, and PGC in different cases. Numerical simulation is given and all the proofs are shown in appendix. • We examine the impact of generalized dual-credit system on green investment and pricing. • The system promotes more manufacturers to invest in green product and invest more. • Investment, environment effects and profit are affected by generalized dual-credit system. • Insights for generalized dual-credit system to spur green transition are offered. [ABSTRACT FROM AUTHOR]

• Musk xylene in ten organic solvents at temperatures ranging from 278.15 K to 313.15 K was measured. • Analysis of musk xylene by XRD. • Wilson model, NRTL model, Vant't Hoff equation, modified Apelblat equation, and λh equation are used to correlate the solubility of musk xylene in different solvents. • The mixed Gibbs energy, enthalpy and entropy were calculated according to Wilson model. In this study, isothermal saturation method was used to measure and correlate the solubility of musk xylene in ten organic solvents at temperatures ranging from 278.15 K to 313.15 K , including methanol, ethanol, isopropanol, n-butanol, cyclohexane, n-hexane, n-heptane, N,N-dimethylacetamide, ethyl acetate, tetrahydrofuran. The experimental results show that the solubility of musk xylene in the selected solvent increases with increasing temperature. The experimental data were correlated by five thermodynamic models, and the results showed that each model can give a satisfactory correlation. In addition, the three kinds of mixed thermodynamic properties of Gibbs energy, enthalpy and entropy of musk xylene in selected solvents were determined by solubility data and Wilson model. It can be seen that the dissolution of musk xylene in a given solvent is spontaneous and entropy driven. Exploring the solubility of musk xylene in different organic solvents and the thermodynamics of dissolution can not only provide basic data for industrial crystallization separation, but also have great significance for its own crystallization and theoretical research. [ABSTRACT FROM AUTHOR]

Swertia bimaculata (SB) is a medicinal herb in China having an array of therapeutic and biological properties. This study aimed to explore the attenuating effect of SB on carbon tetrachloride (CCl 4) induced hepato-toxicity by regulation of gut microbiome in ICR mice. For this purpose, CCl 4 was injected intraperitoneally in different mice groups (B, C, D and E) every 4th day for a period of 47 days. Additionally, C, D, and E groups received a daily dose (50 mg/kg, 100 mg/kg, and 200 mg/kg respectively) of Ether extract of SB via gavage for the whole study period. The results of serum biochemistry analysis, ELISA, H&E staining, and sequencing of the gut microbiome, indicated that SB significantly alleviates the CCl 4 -induced liver damage and hepatocyte degeneration. The serum levels of alanine transaminase, aspartate aminotransferase, malondialdehyde, interleukin 1 beta and tumor necrosis factor-alpha were significantly lower in SB treated groups compared to control while levels of glutathione peroxidase were raised. Also, the sequencing data indicate that supplementation with SB could restore the microbiome and its function in CCl 4 -induced variations in intestinal microbiome of mice by significantly downregulating the abundances of pathogenic intestinal bacteria species including Bacteroides , Enterococcus , Eubacterium , Bifidobacterium while upregulating the levels of beneficial bacteria like Christensenella in the gut. In conclusion, we revealed that SB depicts a beneficial effect against hepatotoxicity induced by CCl 4 in mice through the remission of hepatic inflammation and injury, through regulation of oxidative stress, and by restoring gut microbiota dysbiosis. • Swertia bimaculata is a medicinal herb in China having an array of therapeutic and biological properties. • Swertia bimaculata significantly alleviates the CCl 4 -induced liver damage and hepatocyte degeneration. • Swertia bimaculata could restore the microbiome and its function in CCl 4 -induced variations in intestinal microbiome. [ABSTRACT FROM AUTHOR]

Phenanthrene (Phe), one of the most frequently occurring pollutants in nature, can cause substantial damage to the human liver. Herbt Tea Essences (HTE), a kind of black tea extract with strong anti-inflammatory activity, can protect humans against disease. Currently, whether HTE can protect the liver from Phe-induced hepatotoxicity remains unclear. Herein, we explore the protective effects of HTE against Phe-induced hepatotoxicity. Our results showed that Phe exposure could significantly induce liver damage and increase serum hepatic enzyme levels in mice. HTE could prevent liver damage and recover the expression levels of inflammatory factors. Furthermore, we found that HTE suppressed the excessive activation of the nuclear transcription factor kappa-B and transforming growth factor-β/SMAD signaling pathways to alleviate Phe-induced liver inflammation and fibrosis. Overall, our data showed that HTE treatment could be a new preventive means for Phe-induced liver disease. [Display omitted] • Phe exposure could cause liver inflammation and fibrosis. • HTE could prevent Phe-induced liver inflammation and fibrosis. • HTE suppressed the activation of NF-κB and TGF-β/SMAD signaling pathways. [ABSTRACT FROM AUTHOR]

Topramezone is a new, highly selective herbicide of pyrazole structure for the post-emergence control of broadleaf and grass weeds in corn. In this study, the effects of topramezone on C. vulgaris , especially in relation to the cell growth, oxidative stress, cell morphology and photosynthetic activity were assessed. Results showed that topramezone treatment was detrimental to C. vulgaris growth during the 24–96 h of exposure. The changes in cell s pigments content and relative transcript of photosynthesis-related genes, which implies that topramezone disrupted the photosynthetic system. Moreover, topramezone induced membrane permeability in a significant proportion of cells with a maximum damage rate of 40.40%, and morphology of cells was more complicated than the control group. TEM images also revealed that topramezone compromised the integrity of the cells. The data corroborated topramezone induced ROS triggered oxidative stress, leading to an increase of MDA. These results suggested that topramezone could have significant effects on growth and physiological functions in algae species, and we supposed that this herbicide affected all of these parameters and the observed effects can be explained by the generation of oxidative stress. This research helps to understand how topramezone affects C. vulgaris and provides a scientific basis for applications of topramezone in aquatic environment. [ABSTRACT FROM AUTHOR]

Lead (Pb) contamination has been affecting public health for decades. As a plant-derived medicine, the safety and effectiveness of Emblica officinalis (E. officinalis) fruit extract has been emphasized. The current study focused on mitigating the adverse effects of lead (Pb) exposure in reducing its toxicity worldwide. According to our findings, E. officinalis significantly improved weight loss and colon length shortening (p < 0.05 or p < 0.01). The data of colon histopathology and serum levels of inflammatory cytokines indicated a positive impact to the colonic tissue and inflammatory cell infiltration in a dose-dependent manner. Moreover, we confirmed the expression level improvement of tight junction proteins (TJPs), including ZO-1, Claudin-1, and Occludin. Furthermore, we found that the abundance of some commensal species necessary for maintaining homeostasis and other beneficial function decreased in Pb exposure model, while a remarkable reversion impact was noticed on the intestinal microbiome composition in the treatment group. These findings were consistent with our speculations that E. officinalis could mitigate the adverse effects caused by Pb in alleviating intestinal tissue damage, intestinal barrier disruption, and inflammation. Meanwhile, the variations in gut microbiota might drive the fulfilling current impact. Hence, the present study could provide the theoretical basis for mitigating intestinal toxicity induced by Pb exposure with the help of E. officinalis. [Display omitted] • Pb contamination is broadly harmful to public health. • E. officinalis has proved to be an effective against Pb poisoning. • E. officinalis relieves villi damage and inflammatory cell infiltration. • E. officinalis alleviates gut damage, barrier disruption, and gut dysbiosis. [ABSTRACT FROM AUTHOR]

In this research, solid-liquid equilibrium for the ternary system (2-naphthaldehyde + o -phthalic anhydride + 1,4-dioxane) was measured at 283.15 K, 293.15 K and 303.15 K, respectively. Three isothermal phase diagrams of the system were plotted using the values of the experimental solubility. Pure 2-naphthaldehyde and o -phthalic anhydride were formed at (283.15, 293.15 and 303.15) K, and were determined by Schreinemaker’s wet residue method. The crystallization region of o -phthalic anhydride was found to be much larger than that of 2-naphthaldehyde at a certain temperature. The experimental solubility at multiple temperatures was correlated by the NRTL and Wilson models. The NRTL model was more accurate than the Wilson model in this system. The diagram of density versus component was also constructed. [ABSTRACT FROM AUTHOR]

Black phosphorus quantum dots (BPQDs) are considered to have wide application prospects due to their excellent properties. However, there is no study on the effect of BPQDs on glucose metabolism. In this study, blood glucose was significantly increased when mice were continuously intragastrically administered 0.1 and 1 mg/kg bw BPQDs. The blood glucose level of the mice was elevated from Day 7 to Day 28. BPQD exposure also decreased the area under the curve (AUC) of the oral glucose tolerance test (OGTT). After exposure, the pancreas somatic index was increased. Moreover, the serum insulin and glucagon levels were elevated and the relative area of islet β cells was increased in BPQD-exposed mice, while insulin signaling cascades were reduced in muscle tissues. In summary, our study demonstrated for the first time that BPQD exposure induces glucose disorder and insulin resistance in muscle, which is helpful to understand the biosafety of black phosphorus nanomaterials and promote the sustainable development of nanotechnology. [Display omitted] • BPQD exposure cause a significant increase in blood glucose. • Subacute exposure to BPQD leads to insulin resistance in mice. • BPQDs inhibit the insulin signaling cascade in skeletal muscle. [ABSTRACT FROM AUTHOR]

Abstract: By replacing Mn in YCa3(MnO)3(BO3)4 with trivalent Al and Ga, two new borates with the compositions of YCa3(MO)3(BO3)4 (M=Al, Ga) were prepared by solid-state reaction. Structure refinements from X-ray powder diffraction data revealed that both of them are isostructural to gaudefroyite with a hexagonal space group P63/m. Cell parameters of , for the Al-containing compound and , for the Ga analog were obtained from the refinements. The structure is constituted of AlO6 or GaO6 octahedral chains interconnected by BO3 groups in the ab plane to form a Kagomé-type lattice, leaving trigonal and apatite-like tunnels. It is found that most rare-earth and Cr, Mn ions can be substituted into the Y3+ and M 3+ sites, respectively, and the preference of rare-earth ions to locate in the trigonal tunnel is correlated to the sizes of the M 3+ ions. [Copyright &y& Elsevier]

Nanosized hollow silica spheres with holes in the wall (denoted as silica nanobottles) have been successfully prepared by assembly of functional polymer nanospheres with tetraethoxysilane (TEOS) through hydrothermal methods, coupled with removal of the core by programmed calcination. The functional polymer nanospheres were obtained by emulsifier-free emulsion copolymerization of styrene and (ar-vinylbenzyl) trimethylammoium chloride. The silica nanobottle sample was characterized by thermogravimetric analysis (TG), differential thermal analysis (DTA), transmission electron microscopy (TEM), and nitrogen adsorption techniques. The above characterizations confirm that the silica nanobottles have holes of about 8 nm in the wall and this unique structural feature might be useful for their encapsulation. Furthermore, characterization by scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDX), and UV–visible absorption (UV–vis) showed that the luminescent material Eu(TTA)3(TPPO)2 could be effectively encapsulated in silica nanobottles. This reveals that silica nanobottles have potential applications for nanotechniques. [Copyright &y& Elsevier]

Chemoresistance is a major therapeutic challenge in advanced gastric cancer (GC). N6-methyladenosine (m6A) RNA modification has been shown to play fundamental roles in cancer progression. However, the underlying mechanisms by which m6A modification of circRNAs contributes to GC and chemoresistance remain unknown. We found that hsa_circ_0030632 (circUGGT2) was a predominant m6A target of METTL14, and METTL14 knockdown (KD) reduced circUGGT2 m6A levels but increased its mRNA levels. The expression of circUGGT2 was markedly increased in cisplatin (DDP)-resistant GC cells. CircUGGT2 KD impaired cell growth, metastasis and DDP-resistance in vitro and in vivo , but circUGGT2 overexpression prompted these effects. Furthermore, circUGGT2 was validated to sponge miR-186–3p and upregulate MAP3K9 and could abolish METTL14-caused miR-186–3p upregulation and MAP3K9 downregulation in GC cells. circUGGT2 negatively correlated with miR-186–3p expression and harbored a poor prognosis in patients with GC. Our findings unveil that METTL14-dependent m6A modification of circUGGT2 inhibits GC progression and DDP resistance by regulating miR-186–3p/MAP3K9 axis. [Display omitted] [ABSTRACT FROM AUTHOR]

Osmia excavata is an important pollinator in commercial fruit orchards. Little information has been published about ecotoxicity to O. excavata , especially the larvae. To clarify the risk of commonly used insecticides with different modes of action to the larvae of O. excavata , six insecticides (clothianidin, acetamiprid, sulfoxaflor, lambda-cyhalothrin, chlorfenapyr and abamectin) were selected for evaluation of their acute lethal toxicity and sublethal effects. Clothianidin and abamectin were the two most toxic insecticides to the larvae of O. excavata with LD 50 values of 0.007 (0.006–0.008) and 0.0004 (0.0003–0.0006) μg active ingredient (a.i.) bee−1, respectively. And their ecological risks were high according to the hazard quotient values (HQ > 2500). Sulfoxaflor was identified as the only safe insecticide for O. excavata (HQ < 50) under field conditions. Sublethal toxicity tests showed that larval weight was significantly decreased by ingesting food treated with clothianidin, lambda-cyhalothrin and abamectin (less than the maximum field registered concentrations on fruit trees) due to interference with consumption per larva and reduction of the efficiency of conversion of ingested food. Additionally, above three insecticides significantly prolonged larval developmental duration before cocooning and decreased eclosion rate. Overall, there results suggested that clothianidin and abamectin should not be applied, especially during the flowering phase, the application frequency of lambda-cyhalothrin should be minimized for the purpose of conserving O. excavata. Our results provided important evidences for selecting appropriate insecticides for use in fruit orchards. • Ecotoxicity of commonly used insecticides to the larvae of O. excavata were tested. • Clothianidin and abamectin were the two most toxic insecticides to O. excavata. • The ecological risks of clothianidin and abamectin were high. • Sulfoxaflor was identified as the only safe insecticide for O. excavata. [ABSTRACT FROM AUTHOR]

• New structures of thirteen diterpenoid compounds from Excoecaria agallocha. • Two rearranged ent -atisanes featuring a unique 6/6/5/7 tetracyclic carbon skeleton. • Absolute configurations of three ent -atisanes and an ent -isopimarane. • Single-crystal X-ray diffraction analysis, conducted with Cu Kα radiation. • NF-κB inhibitory activity of ent -atisanes. Thirteen new diterpenoid compounds, named agallolides A-M (1 – 13), including ten ent -atisanes, were isolated from the stems and twigs of the Chinese semi-mangrove plant, Excoecaria agallocha. Most notably, agallolides A (1) and B (2) are two rearranged ent -atisanes featuring a unique 6/6/5/7 tetracyclic carbon skeleton. Agallolides C-J (3 – 10) are ent -atisanes, among which agallolide C (3) represents the first example of 3,4- seco -17-nor- ent -atisane. Agallolides K (11) and L (12) are two ent -isopimaranes, whereas agallolide M (13) is a rare 3,4- seco - ent -trachylobane. The structures of these diterpenoid compounds were established by HR-ESIMS and extensive 1D and 2D NMR investigations. The absolute configurations of agallolide A (1) and agallolides I-K (9 – 11) were further confirmed by single-crystal X-ray diffraction analyses with Cu Kα radiation. The plausible biogenetic pathways for agallolides A (1), B (2), and I (9) were proposed. Agallolides I (9) and J (10) exhibited NF-κB inhibitory activity with inhibition rates of 23.4% and 19.4%, respectively, at the concentration of 100.0 µM. [ABSTRACT FROM AUTHOR]

Longer ambulance response time (ART) delaying treatment would worsen conditions of seriously ill or injured patients, but limited evidence is available on the effects of weather factors on ART. This study aims to assess precipitation- and temperature-ART associations and their potential lagged effects using a novel modeling strategy. Based on 779,156 emergency records during 2010–2016 from the whole population in Shenzhen, China, we creatively combined quantile regression with distributed-lag nonlinear models to examine the non-linear and lagged effects of hourly precipitation and temperature on ART at the 50th and 90th percentiles. A linear precipitation-ART association with a delay of 9.01 (95%CI, 7.82–10.20) seconds at median ART for a 1 mm increase in hourly precipitation, and the effects lasted for 5 h with the greatest effect at the current hour. A two linear thresholds temperature-ART association revealed 1 °C decrease below 19 °C caused 1.68 (95%CI, 0.92–2.44) seconds delay in total ART over lag 0–7 h, and 1 °C increase above 24 °C caused 2.44 (95%CI, 1.55–3.33) seconds delay. The hourly call volumes exceeding 54 calls caused 8.79 (95%CI, 8.71–8.86) seconds delay in total ART for 1 more call, but not affected the effects of weather factors. The internal ART suffered more from the hourly call volumes, while the external ART suffered more from precipitation and temperature. The effects were apparently greater on ART at the 90th percentile than median. Precipitation and temperature are independent risk factors for ambulance services performance, and their lagged effects are notable. The external ART and patients with long ART are vulnerable. More attention should be paid to weather and ART, and these findings may have implications for effective policies to reduce ART to protect public health. Image 1 • Evidence about the effects of weather factors on ART are limited, particularly no hourly data is available. • A novel modeling strategy was developed to examine the effects of hourly precipitation and temperature on ART. • A linear precipitation-ART association was observed with acute effects lasting for 5 h. • A U-shaped temperature-ART association implied cold and hot temperature delayed ART. • 1 more call above 54 ambulance emergency calls per hour caused a delay of 8.79 s in ART. [ABSTRACT FROM AUTHOR]

• Isothermal saturation method was used to measure the solubility of 1-(4-tert-butyl-2,6-dimethylphenyl)ethenone in eight pure solvents and two binary solvents at temperatures ranging from 273.15 K to 308.15 K. • Analysis of 1-(4-tert-butyl-2,6-dimethylphenyl)ethenone by DSC and XRD. • Van't Hoff model, modified Apelblat model, NRTL model, Wilson model, Jouyban − Acree model, Sun model were used to correlate the solubility of 1-(4-tert-butyl-2,6-dimethylphenyl)ethenone. • Hansen solubility parameter was used to reveal the solubility behavior of 1-(4-tert-butyl-2,6-dimethylphenyl)ethenone. • The thermodynamic properties (Δ sol H°, Δ sol S°, Δ sol G°, %ξ H and %ξ TS) were discussed by van't Hoff equation. In this work, the solubility of 1-(4-tert-butyl-2,6-dimethylphenyl)ethenone was measured and correlated by isothermal saturation method in eight pure solvents (isopropyl alcohol, n -octanol, ethyl acetate, acetonitrile, ethanol, acetone, cyclohexane, methanol) and two binary solvents (isopropyl alcohol + ethyl acetate, ethanol + acetonitrile) at temperatures ranging from 273.15 K to 308.15 K. The results show that the solubility of 1-(4-tert-butyl-2,6-dimethylphenyl)ethenone in the selected solvent is positively correlated with temperature. The experimental solubility data were correlated by six thermodynamic models, including Van't Hoff equation, modified Apelblat equation, NRTL model, Wilson model, Jouyban − Acree model and Sun model. The values of RAD and RMSD showed that these models fit the solubility data well. Besides, Hansen solubility parameter was used to reveal the solubility behavior of 1-(4-tert-butyl-2,6-dimethylphenyl)ethenone. Finally, the thermodynamic propertie Δ sol H○, Δ sol S○, Δ sol G○, %ξ H and %ξ TS were calculated by van't Hoff equation. The results showed Δ sol H○, Δ sol G○, Δ sol S○, are all positive values, indicating that the dissolution process in selected solvents was entropy-driven and endothermic. [ABSTRACT FROM AUTHOR]

To develop objective methods of oolong tea grading for importers and customs, metabolomics and sensory evaluation were applied to screen the characteristic compounds associated with Tieguanyin (TGY) tea grades T, 1, 2, and 3, and types (fresh scent flavor and high fragrance). With decreasing TGY grade/quality, the astringency and content of most flavonoid glycosides increased (especially catechin and epicatechin). The floral aroma of fresh scent flavor TGY decreased, and the roasted aroma of high-fragrance TGY increased with decreasing TGY grade. Five non-volatile compounds (epicatechin gallate, quercetin-3- O -galactoside, quercetin-3- O -rutinoside, epicatechin, and gallocatechin) and five volatile compounds (benzyl benzoate, β -phenylethyl acetate, 6-methyl-5-hepten-2-one, heptanal, and (E)-2-hexenal) were identified, which could readily distinguish different grades of fresh scent flavor and high fragrance TGY by quantitative chemical analysis. Lower grades of TGY had inferior flavor, but higher antioxidant capacity. • Sensory evaluation and metabolomics were combined for Tieguanyin grade analysis. • As Tieguanyin grades decreased, the astringency increased. • Ten compounds were identified as the key metabolites for Tieguanyin grades. • Low-grade tea has higher antioxidant capacity due to more polyphenols. [ABSTRACT FROM AUTHOR]

Synergistic effect of the surface atoms and aqueous media on the interface catalysis of supported catalysts were uncovered by DFT and AIMD simulations. [Display omitted] Direct electrosynthesis of hydrogen peroxide (H 2 O 2) from H 2 and O 2 is a promising alternative to currently industrial Riedl-Pfleiderer route. Utilizing a combination of density functional theory (DFT) and ab-initio-molecular dynamic simulation (AIMD), we presented an effective computational framework to identify the cooperative role of surface atoms(e.g. O, N and S) and aqueous media on catalytic performance of single-atom catalysts (SACs) supported Nb 2 C MXenes. Computational results shown that both Ni/Nb 2 CN 2 and Co/Nb 2 CS 2 have low overpotentials of 0.17 V and 0.20 V, and the barrier of 0.89 eV and 0.67 eV for 2e- ORR under gas phase, respectively, while in aqueous phase, hydrogen bond framework on the surface promotes the transfer of proton, resulting in the lower 2e- ORR overpotential (0.05 V) in Co/Nb 2 CS 2 and lower barrier (almost 0.01 eV) for rate-determining step (RDS) in Ni/Nb 2 CN 2. Electronically, we found that the less-electronegativity N and S relative to O more benefit to mediate the activation degree of O 2 on SACs and thereby improve catalytic selectivity. Thus, it is concluded that both surface atom and aqueous medium synergistically promote catalytic property for H 2 O 2 synthesis. [ABSTRACT FROM AUTHOR]

[Display omitted] • The solubility of LiFSI in 11 organic solvents was determined. • Different thermodynamics models were used to correlate the solubility data. • Thermodynamic properties of LiFSI solution were calculated. • Molecular simulation was used to analyze the dissolution behavior of LiFSI. The solubility of LiFSI in ethanol, n-propanol, isopropanol, n-butanol, methyl acetate, ethyl acetate, propyl acetate, butyl acetate, dimethyl carbonate, ethyl methyl carbonate, diethyl carbonate at 273.15 K to 313.15 K were determined. Elevated temperatures can actuate the continued mixing of LIFSI in the 11 fluids outlined above. In comparison, the addition of an alkyl group to the carbon chain of a structurally similar solvent molecule will result in a smaller solubility of LiFSI. Overall the molar solubility of LiFSI in esters are significantly higher than the other four alcohols. Besides, the corresponding theoretical results were mounted by fitting the classical equation. The deviation of the fitted values from the measured values showed that the Apelblat equation and Yaws model was more effectively in fitting the solubility of LiFSI. Then, The Δ sol H o, Δ sol G o, Δ sol S o of electrolyte solution were discussed by Van't Hoff equation. Their fruits implied that the dissolution of LiFSI is found to be accompanied by heat absorption and entropy gain processes. Finally, the solvent molecular polarity index and solvation free energy were calculated by molecular visualization analysis and molecular dynamics simulation, and the correlation analysis with solubility order was carried out to illustrate the role of molecular features on the LiFSI solubility was explained. Electrostatic interactions and molecular polarity are the leading players in determining its solubility limit. These results will provide valuable reference for the purification of LiFSI and the development of new electrolyte solutions. [ABSTRACT FROM AUTHOR]

• Solubility of 2,3-dichloropyridine in 14 pure solvents were measured. • Solubility modeling was realized by seven thermodynamic models. • Hansen solubility parameters were employed to explain solubility behaviors. • Solvent effect was studied by MEPs, Hirshfeld surface analysis and DFT calculation. • Thermodynamic properties were discussed by Van't Hoff equation. The solid–liquid equilibrium data of 2,3-dichloropyridine(23DCP) in 14 pure solvents were measured making use of the laser dynamic monitoring at 278.15/283.15/288.15 K − 313.15 K with 0.1 MPa. The findings of this study showed that the solubility increase of 23DCP in 14 pure solvents had a positive relation with temperature, and the solubility order was 1,4-dioxane > dichloromethane > n-butyl acetate > ethyl acetate > methyl acetate > acetonitrile > n-butanol > isobutyl alcohol > n-propanol > isopropanol > ethanol > cyclohexane > methanol > n-hexane. The solubility data of 23DCP was operated by seven models (Van't Hoff, modified Apelblat, λh, Yaws, NRTL, NRTL-SAC, Wilson) to correlate. And the average ARD values were 1.684 %,1.058 %, 1.031 %, 0.905 %, 0.937 %, 1.012 %, 2.062 % and the average 103RMSD values were 1.978, 1.396, 1.542, 1.221, 1.758, 1.658 and 1.883, respectively. In addition, Hansen solubility parameters were well evaluated to appraise the miscibility of 23DCP in 14 pure solvents. And the interactions between molecules were studied by means of molecular electrostatic potential surface, Hirshfeld surface analysis and density functional theory calculation. Finally, according to Van't Hoff equation, Δ sol G °, Δ sol H ° and Δ sol S ° of 23DCP in 14 pure solvents were got. Δ sol H ° and Δ sol S ° were bigger than zero, representing that this was a dissolution process of endothermic and entropy increase. [ABSTRACT FROM AUTHOR]

[Display omitted] • Bacillus amyloliquefaciens HSSN09 with antagonistic effect on FON was isolated. • B. amyloliquefaciens HSSN09 could effectively control watermelon Fusarium wilt and promote the growth of watermelon seedlings. • Tacrolimus has a very obvious antifungal effect and can be used to control watermelon Fusarium wilt. • Tacrolimus was also able to stimulate the growth of watermelon seedlings. • Tacrolimus or its analogs may play a role as a pleiotropic factor in B. amyloliquefaciens HSSN09 biological control. Watermelon Fusarium wilt caused by Fusarium oxysporum f. sp. niveum (FON) is one of the most devastating diseases in watermelon production. Biological control approaches are efficient and environmentally-friendly, thus have aroused broad interest. However, only a few biocontrol factors/molecules have been characterized due to varied genomes and diversified secreted secondary metabolites of biocontrol microorganisms. We report the screen and identification of a Bacillus amyloliquefaciens strain HSSN09 with high antagonism to FON and watermelon growth promotion capacity. B. amyloliquefaciens HSSN09 and its secondary metabolites showed inhibition on FON mycelial growth, spore formation and spore germination. Metabolomes of the highly antagonistic strain B. amyloliquefaciens HSSN09, medium antagonistic strain B. amyloliquefaciens FGW53, weakly antagonistic strain B. subtilis JC03 and non-antagonistic strain B. cereus FGW109 were compared with LC-MS/MS. By antagonistic assay, tacrolimus was screened out among the 531 molecules that appeared in the sequencing results of HSSN09 metabolome but not in that of the non-antagonistic strain without significant inhibition on the growth of FON. Among the four tested Bacillus strains, tacrolimus analogue was only observed in the supernatant of HSSN09 by HPLC and MALDI-TOF-MS. We further confirmed the ability of tacrolimus to suppress FON and promote watermelon seedling growth. [ABSTRACT FROM AUTHOR]

Fruit development is modified by different types of epigenetics. Histone methylation is an important way of epigenetic modification. Eight genes related to H3K4 methyltransferase, named VvH3K4s , were identified and isolated from the grape genome based on conserved domain analysis, which could be divided into 3 categories by the phylogenetic relationship. Transcriptome data showed that VvH3K4–5 was obviously up-regulated during fruit ripe, and its expression level was significantly different between 'Kyoho' and 'Fengzao'. The VvH3K4s promoters contains cis-acting elements of in response to stress, indicating that they may be involved in the metabolic pathways regulated by ROS signaling. The subcellular localization experiment and promoter activity analysis experiment on VvH3K4–5 showed that VvH3K4s may be regulated by H 2 O 2. With H 2 O 2 and Hypotaurine treatment, it was found that the expression pattern of most genes was opposite, and the expression level showed different expression trend with the extension of treatment time. • Eight H3K4 methyltransferase genes in grape are identified. • VvH3K4s contain a variety of stress-responsive cis-acting elements in promoter. • H 2 O 2 VvH3K4s and ROS inhibitor influence the expression levels. • VvH3K4s play different roles in grape ripening. [ABSTRACT FROM AUTHOR]

This paper presents experimental and numerical studies on the hydrodynamics of a two-body floating-point absorber (FPA) wave energy converter (WEC) under both extreme and operational wave conditions. In this study, the responses of the WEC in heave, surge, and pitch were evaluated for various regular wave conditions. For extreme condition analysis, we assume the FPA system has a survival mode that locks the power-take-off (PTO) mechanism in extreme waves, and the WEC moves as a single body in this scenario. A series of Reynolds-averaged Navier–Stokes (RANS) simulations was performed for the survival condition analysis, and the results were validated with the measurements from experimental wave tank tests. For the FPA system in operational conditions, both a boundary element method (BEM) and the RANS simulations were used to analyze the motion response and power absorption performance. Additional viscous damping, primarily induced by flow separation and vortex shedding, is included in the BEM simulation as a quadratic drag force proportional to the square of body velocity. The inclusion of viscous drag improves the accuracy of BEM's prediction of the heave response and the power absorption performance of the FPA system, which agrees well with experimental data and the RANS simulation results over a broad range of incident wave periods, except near resonance in large wave height scenarios. Overall, the experimental and numerical results suggest that nonlinear effects, caused by viscous damping and interaction between waves and the FPA, significantly influence the system response and power absorption performance. Nonlinear effects were found to be particularly significant when the wave height was large and the period was near or shorter than the resonant period of the FPA system. The study is expected to be helpful for understanding the nonlinear interaction between waves and the FPA system so that the structure of the FPA can be adequately designed. [ABSTRACT FROM AUTHOR]

• Solubility data of 1,4-cyclohexanedione in ten pure solvents were measured. • Experimental data were correlated by five thermodynamic models. • Dissolution mechanism of 1,4-cyclohexanedione in ten pure solvents was investigated. • Thermodynamic properties were discussed by Wilson model. As an important raw material in industrial production, the solubility studies of 1,4-cyclohexanedione (14CHD) in organic solvents may be of assistance in improving crystallization efficiency and yield in industry. Therefore, this work deeply explored the dissolution behavior of 14CHD by using the isothermal saturation method, model fitting and density functional theory (DFT) calculation. Firstly, we selected ten pure organic solvents that are environmentally friendly to measure the solubility of 14CHD at the temperature range of 278.15 ∼ 313.15 K under standard atmospheric pressure. According to the measurement results, the solubility of 14CHD increases with temperature, and there are some differences among the solubility of 14CHD in various solvents. For instance, it has a highest solubility in acetonitrile (x 1 = 0.5331) at 313.15 K while has the lowest solubility (x 1 = 6.757 × 10-4) in cyclohexane at 283.15 K. Whereafter, the measured solubility data was correlated by Van't Hoff equation, modified Apelblat equation, λh model, Yaws model and Wilson model. Among them, Yaws model represents the most accurate fitting outcomes. At the same time, the study results of mixing thermodynamic properties on the basis of Wilson model suggest that the dissolution processes of 14CHD in ten organic solvents are entropy-driven and spontaneous. Afterwards, in order to explain the large difference in solubility of 14CHD in ten organic solvents, we found that the dissolution of 14CHD depends mostly on the polarity (π) and cohesive energy density (CED), viewed from the physicochemical factors of solvents. Furthermore, we further studied intermolecular interactions between 14CHD and ten solvents through molecular electrostatic potential surface (MEPS) analysis and DFT methods. Results display that alcoholic and non-alcoholic solvents molecules have different sites of action with 14CHD and the absolute values orders of interaction energies of alcoholic and non-alcoholic solvents are all consistent with corresponding solubility laws. The solvent–solute interaction plays an important role in the solubilities of 14CHD. [ABSTRACT FROM AUTHOR]

Chondrocyte senescence is a decisive component of age-related osteoarthritis, however, the function of small noncoding RNAs (sncRNAs) in chondrocyte senescence remains underexplored. Human hip joint cartilage chondrocytes were cultivated up to passage 4 to induce senescence. RNA samples were extracted and then analyzed using small RNA sequencing and qPCR. β-galactosidase staining was used to detect the effect of sncRNA on chondrocyte aging. Results of small RNA sequencing showed that 279 miRNAs, 136 snoRNAs, 30 snRNAs, 102 piRNAs, and 5 rasiRNAs were differentially expressed in senescent chondrocytes. The differential expression of 150 sncRNAs was further validated by qPCR. Transfection of sncRNAs and β-galactosidase staining were also performed to further revealed that hsa-miR-135b-5p, SNORA80B-201, and RNU5E-1-201 have the function to restrain chondrocyte senescence, while has-piR-019102 has the function to promote chondrocyte senescence. Our data suggest that sncRNAs have therapeutic potential as novel epigenetic targets in age-related osteoarthritis. • Our research innovatively explored the sncRNA transcriptome of senescent human hip cartilage samples. • Our research involved the seldom studied piRNA in chondrocytes, revealing its role in chondrocyte senescence and OA. • Transfection of sncRNAs were performed to revealed the function of sncRNAs in chondrocyte senescence. [ABSTRACT FROM AUTHOR]

In this paper, we demonstrate that the less toxic, relatively safe, and recyclable organic aqua regia (OAR) can be employed as a greener alternative solvent to conventional aqua regia to activate Au/AC catalysts for the hydrochlorination of acetylene. We show that Au-based catalysts prepared with HAuCl 4 as precursor can be prepared initially in water (Au(H 2 O)/AC). Although catalysts prepared from aqueous HAuCl 4 showed poor activity, it can be significantly enhanced by catalyst activation in OAR (Au(H 2 O)/AC(OAR)). In contrast to the catalyst activation procedure using aqua regia (Au(aq)/AC), we demonstrate that the new activation procedure leads to both improved activity and stability of the resulting Au(H 2 O)/AC(OAR) catalyst. Further analyses of X-ray diffraction (XRD), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS) show that the variations of Au particle size and chemical state caused by OAR treatment promote Au oxidation and high dispersion. In addition, temperature-programmed reduction (TPR) and temperature-programmed desorption (TPD) indicated that the presence of residual sulfur and nitrogen species may help stabilize the cationic Au 3+ species and generate a catalyst less prone to deactivation by increasing the reduction temperature of the Au 3+ species and enhancing the adsorption of hydrogen chloride over the Au(H 2 O)/AC(OAR) catalyst. These results suggest that OAR can be substituted for conventional solvents to activate Au/AC catalysts for the hydrochlorination of acetylene. [ABSTRACT FROM AUTHOR]

The quality and safety of Pu-erh tea are largely determined by microorganisms, processing and storage conditions. The systemic co-relationship between microbiome and metabolomics during manufacturing of Pu-erh tea is not fully clarified. We comprehensively explored the microbial and metabolic dynamic evolution and revealed the decisive factors for the quality and safety of Pu-erh tea based on creative methods. The results showed that fungal abundance increased in the middle of pile fermentation period and then decreased during storage, but the bacterial abundance increased in the initial stage, subsequently decreased and finally increased. All microorganism species as well as dominant fungi and bacteria were identified during different processing steps. A total of 209 metabolites were identified and 50 of them were characterized as critical metabolites responsible for metabolic changes. Multivariate analysis verified that these critical metabolites were generated by specific dominant species. The environmental condition exhibited a great effect on the growth and reproduction of bacteria, but less than 10% of the dominant fungi exhibited significant correlation with temperature and humidity. In conclusion, our results revealed the microbial composition is the critical factor in changing the metabolic profile and provided a theoretical basis for improving the quality and safety of Pu-erh tea. • We explored the correlation between microbiome and metabolomics of Pu-erh tea. • Creative methods were used to clarify microbial and metabolic dynamic evolution. • The environmental condition affected the growth and reproduction of microorganism. • This study revealed the decisive factors for the quality and safety of Pu-erh tea. [ABSTRACT FROM AUTHOR]