Search

An increase in lipid accumulation in algal cells often occurs under salt-induced osmotic stress, but the link between the two is unclear. In this study, the effects of osmotic stress as a kind of biomechanical stress on lipid biosynthesis and the cAMP signaling pathway were investigated using Chlorella pyrenoidosa, and a plausible and novel mechanism by which cAMP regulates lipid accumulation in C. pyrenoidosa under osmotic stress conditions was proposed. The maximal lipid content in C. pyrenoidosa exposed to osmotic stress (453 mOsm/kg) (38.31 ± 0.99%) was increased by 63% compared to that in the control group (32 mOsm/kg) (23.45 ± 0.61%). Under osmotic stress, the levels of lipogenic genes, cAMP (3.24 ± 0.09 nM), and reactive oxygen species (ROS) (285.46 ± 26.51 DCF fluorescence intensity) and the total antioxidant capacity (T-AOC) (12.14 ± 1.03 U mgprot−1) increased. Activated cAMP downregulated Snf1 levels, resulting in enhanced expression of accD. As a result, the metabolic flow of carbon in C. pyrenoidosa was shifted to lipid biosynthesis, resulting in an improvement in biodiesel quality. This study provides novel insight into the role of signaling pathways in modulating lipid accumulation in algal cells under osmotic stress.

In the present work, the biotransformation of ginsenosides in white ginseng roots was innovatively investigated using the aerobic fermentation by the co-cultivation of Bacillus subtilis and Trichoderma reesei. It is found that in the co-cultivation mode, the optimal nitrogen source was corn steep liquor, and the loading of ginseng powder and inoculation proportion of B. subtilis and T. reesei were 15 g/L and 1:4, respectively. The total ginsenoside yield and production of minor ginsenosides in the co-cultivation mode obviously enhanced in comparison to the monoculture mode. Meanwhile, the maximal total ginsenoside yield of 21.79% and high hydrolase activities were achieved using the staged inoculation at the inoculation proportion of 1:4 in the co-cultivation mode, the production of minor ginsenosides such as Rg3 and Rh1, Rh2 was significantly strengthened, and the pharmacological activities of the fermented solution obviously improved. The enhancement of ginsenoside transformation can be mainly attributed to hydrolysis of the produced hydrolases and metabolism of two probiotics. This result clearly reveals that using the staged inoculation in co-cultivation fermentation mode was favor of the ginsenoside biotransformation in ginseng due to non-synchronous cell growth and different metabolic pathways of both probiotics. This work can provide a novel method for enhancing ginsenoside transformation of ginseng. Key points • Co-cultivation fermentation significantly promoted ginsenoside biotransformation. • The staged inoculation in co-culture mode was an optimal operation method. • The pharmacological activity of the co-cultured solution was significantly enhanced.

Experiments were conducted in a simulated wet flue gas desulfurization (WFGD) system to investigate the effects of sulfite, slurry temperature, pH value and atmosphere on mercury migration and re-emission. The mechanisms were discussed based on the kinetics and chemical equilibrium. The results indicate that SO32− is a key factor for Hg0 re-emission in WFGD system. Increasing SO32− concentration at a relatively low level can promote Hg2+ in liquid phase reducing to gaseous Hg0, whereas Hg0 re-emission is significantly inhibited with excess SO32−. The reaction rate of mercury reduction is calculated to increase by approximately ten times when the slurry temperature rises from 40 to 60 °C. It reveals that a higher slurry temperature can accelerate mercury reduction. The proportion of mercury in liquid phase is detected to decline sharply with a drop in pH value. The mechanisms were further proposed that SO32− tends to be protonated and the stabilities of mercury–sulfite complexes are weakened at low pH value. Under both N2/O2 and O2/CO2 atmospheres, increasing O2 concentration can suppress Hg0 re-emission. However, the variation in CO2 concentrations has no impact on Hg0 re-emission. Compared with O2/CO2 atmosphere, there is more Hg0 re-emission under N2/O2 atmosphere due to the secondary release of Hg0.

In the present study, a bubble generator and a bubble separator were designed and evaluated for an independent off-gas removal system of a small thorium molten salt reactor (TMSR) with reference to the design of the Oak Ridge National Laboratory (ONRL). The bubble generator employed a Venturi tube as its main body owing to its simplicity and highly reliable structure. A centrifugal separator was used as the bubble separator, taking advantage of the kinetic energy of fluid to create a centrifugal force to separate gas bubbles from the mixture flow. Both the bubble generator and the separator were demonstrated to have good potential to meet the performance requirements of an off-gas removal system for a small TMSR. With water and air as the working fluids, for the final designs of the two key pieces of equipment, a liquid flow rate exceeding 15 m3·h−1 can essentially make their performance meet the requirements of the off-gas removal system in terms of the average size of the generated bubbles and gas separation efficiency.

A novel endophytic actinobacterium, designated strain EGI 650086T, was isolated from the roots of Anabasis elatior (C.A.Mey.) Schischk. collected in Xinjiang, north-west China. The taxonomic position of the strain was investigated using a polyphasic taxonomic approach. Growth occurred at 15–40 °C, pH 6.0–8.0 and in the presence of 0–6 % NaCl (w/v). Phylogenetic analysis based on 16S rRNA gene sequence and concatenation of 22 protein marker genes revealed that strain EGI 650086T formed a monophyletic clade within the genus Amycolatopsis and shared the highest sequence similarities with Amycolatopsis nigrescens JCM 14717T (97.1 %) and Amycolatopsis sacchari DSM 44468T (97.0 %). Sequence similarities with type strains of other species of the genus Amycolatopsis were less than 97.0 %. The average nucleotide identity and DNA–DNA hybridization values between strain EGI 650086T and the reference strains were 78.1–79.8 % and 22.1–23.0 %, respectively. The genome of strain EGI 650086T was 10.9 Mb, with a DNA G+C content of 70.1 mol%. The diagnostic diamino acid in the peptidoglycan was meso-diaminopimelic acid. The major whole-cell sugars contained arabinose, galactose, glucose and ribose. The predominant menaquinones were MK-9 (H4) and MK-9 (H2). Major fatty acids were iso-C16 : 0 and summed feature 4 (iso-C17 : 1 I and/or anteiso-C17 : 1 B). The polar lipid profile of strain EGI 650086T included diphosphatidylglycerol, phosphatidylglycerol, phosphatidylethanolamine, hydroxy-phosphatidylethanolamine, phosphatidylinositol, phosphatidylinositol mannosides, two unknown phospholipids, an unknown glycolipid and an unknown lipid. Polyphasic taxonomic characteristics indicated that strain EGI 650086T represents a novel species of the genus Amycolatopsis , for which the name Amycolatopsis anabasis sp. nov. is proposed. The type strain is EGI 650086T (=KCTC 49044T=CGMCC 4.7188T).

A Gram-staining positive, motile, rod-shaped and subterminal endospore-forming bacterium, designated strain SYSU K30005T, was isolated from a soil sample collected from a karst cave in Libo county, Guizhou province, south-western China. Strain SYSU K30005T showed the highest 16S rRNA gene sequence similarity with Lysinibacillus fusiformis (98.6%) and Lysinibacillus sphaericus (98.2%). In phylogenetic tree, strain SYSU K30005T clade with the members of the genus Lysinibacillus. Based on the phylogenetic and 16S gene sequence result, strain SYSU K30005T was affiliated to the genus Lysinibacillus. The growth of SYSU K30005T was observed at 15–37 °C (optimum, 28 °C), pH 6.0–9.0 (optimum, pH 7.0) and in the presence of 0–4% (w/v) NaCl (optimum in 3.5% NaCl). Cell wall peptidoglycan type was A4α (Lys–Asp). The cell-wall sugars of SYSU K30005T were ribose, galactose and mannose and MK-7 was the only quinone. The fatty acids (> 5% of total fatty acids) were iso-C15:0, anteiso-C15:0, iso-C16:0 and iso-C17:0. The polar lipids profile included diphosphatidylglycerol, phosphatideylglycerol, phosphatidylethanolamine and an unidentified phospholipid. The genomic DNA G + C content was 37.2 mol%. The average nucleotide identity values between SYSU K30005T and its closest relatives were below the cut-off level (95–96%) for species delineation. The results support the conclusion that strain SYSU K30005T represents a novel species of the genus Lysinibacillus, for which we proposed the name Lysinibacillus cavernae sp. nov. The type strain is SYSU K30005T (= KCTC 43130T = CGMCC 1.17492T).

A novel actinobacterial strain, designated SYSU K10008T, was isolated from a soil sample collected from a karst cave in Xingyi County, Guizhou Province, south-western PR China. The taxonomic position of the strain was investigated by using a polyphasic approach. Cells of the strain were aerobic, Gram-stain-positive and non-motile. On the basis of 16S rRNA gene sequence similarities and the results of phylogenetic analysis, strain SYSU K10008T was most closely related to Streptomyces cyaneus CGMCC 4.1671T, and shared the highest sequence identity of 98.3 % based on the NCBI database. In addition, ll-diaminopimelic acid was the diagnostic diamino acid in cell-wall peptidoglycan. The whole-cell sugars were glucose and rhamnose. The major isoprenoid quinone was MK-9(H6), while the major fatty acids (>10 %) were C16 : 0, iso-C16 : 0, anteiso-C15 : 0 and summed feature 3 (C16 : 1 ω7c/C16 : 1 ω6c). The polar lipids contained diphosphatidylglycerol, phosphatidylethanolamine, phosphatidylinositol, phosphatidylinositol mannoside and one unidentified lipid. The genomic DNA G+C content of strain SYSU K10008T was 70.5 mol%. On the basis of phenotypic, genotypic and phylogenetic data, strain SYSU K10008T represents a novel species of the genus Streptomyces , for which the name Streptomyces cavernae sp. nov. is proposed. The type strain is SYSU K10008T (=KCTC 39850T=DSM 104115T).

A Gram-stain-positive, non-motile and short rod-shaped actinobacterium, designated strain LNNU 22110T, was isolated from the rhizosphere soil of the halophyte Suaeda aralocaspica (Bunge) Freitag and Schütze, which collected in Xinjiang, north-west China. Growth occurred at 10–45 °C, pH 6.0–10.0 and in the presence of 0–11 % NaCl (w/v). Based on the results of 16S rRNA gene sequence phylogenetic analyses, strain LNNU 22110T belonged to the genus Ruania and had 97.5 and 95.5 % sequence similarity to Ruania alba KCTC 19413T and Ruania albidiflava CGMCC 4.3142T, respectively. The digital DNA–DNA hybridization relatedness values between strain LNNU 22110T and R. alba KCTC 19413T and R. albidiflava CGMCC 4.3142T were 23.2 and 19.9 %, respectively. The highest average nucleotide identity value between strain LNNU 22110T and its closest related strain ( R. alba KCTC 19413T) was 80.2 %, much lower than the species delineation threshold of 95–96 %. The genome of strain LNNU 22110T was 4.4 Mb, with a genomic DNA G+C content of 68.4 mol%. The diagnostic diamino acids in the peptidoglycan layer of strain LNNU 22110T were lysine, alanine, glycine, glutamic acid and aspartic acid. The predominant menaquinone was MK-8(H4). The major fatty acid (>10 %) was anteiso-C15 : 0. The polar lipid profile of strain LNNU 22110T included diphosphatidylglycerol, phosphatidylglycerol, phosphatidylinositol, diacylated phosphatidyl dimannoside, one unidentified glycolipid and two unidentified phospholipids. According to the phenotypic, phylogenetic and chemotaxonomic results, strain LNNU 22110T is considered to represent a novel species of the genus Ruania , for which the name Ruania rhizosphaerae sp. nov. is proposed. The type strain is LNNU 22110T (=KCTC 39807T=CGMCC 1.17105T).

Daily intake of tea has been known to relate to a low risk of depression. In this study, we report that a special variety of tea in China, Camellia assamica var. kucha (kucha), possesses antidepressant effects but with less adverse effects as compared to traditional tea Camellia sinensis. This action of kucha is related to its high amount of theacrine, a purine alkaloid structurally similar to caffeine. We investigated the antidepressant-like effects and mechanisms of theacrine in chronic water immersion restraint stress and chronic unpredictable mild stress mice models. PC12 cells and primary hippocampal neural stem cells were treated with stress hormone corticosterone (CORT) to reveal the potential antidepression mechanism of theacrine from the perspective of adult hippocampus neurogenesis. Results of behavioral and neurotransmitter analysis showed that intragastric administration of theacrine significantly counteracted chronic stress-induced depression-like disorders and abnormal 5-hydroxytryptamine (5-HT) metabolism with less central excitability. Further investigation from both in vivo and in vitro experiments indicated that the antidepressant mechanism of theacrine was associated with promoting adult hippocampal neurogenesis, via the modulation of the phosphodiesterase-4 (PDE4)/cyclic adenosine monophosphate (cAMP)/cAMP response-element binding (CREB)/brain-derived neurotrophic factor (BDNF)/tropomyosin-related kinase B (TrkB) pathway. Collectively, our findings could promote the prevalence of kucha as a common beverage with uses for health care and contribute to the development of theacrine as a potential novel antidepressant medicine.

One new sesquiterpene 1S, 3S, 4S, 7S 3,4-dihydroxy-bisabolol (1), one new iridoid amurensin A (2) and 10 known compounds were isolated from the whole plants of Valeriana amurensis. Their structures were established on the basis of extensive spectroscopic analysis and the absolute stereochemistry of compound 1 was assigned by X-ray diffraction analysis with Cu-Kα irradiation. All of compounds were evaluated for their inhibitory effects on NO production in LPS-induced RAW264.7 macrophages. Compound 12 displayed significant anti-inflammatory activity with IC50 value of 1.97 μM.

Two new acetylenic compounds (1 and 2), two new lignans (3 and 4) along with eight known lignans (5−12), ten known terpenoids (13−22) and one known aromatic compound (23) were isolated from the whole plants of Dolomiaea berardioidea (Franch.) Shih. Structures of new compounds were elucidated by combined use of HRESIMS, 1D and 2D NMR and CD spectroscopic methods. The absolute structures of 1 and 3 were further confirmed by Cu Kα X-ray crystallographic analyses. In addition, all isolated compounds were also tested for their inhibitory effects against LPS-induced NO production of RAW 264.7 macrophage. Compound 22 displayed potential anti-inflammatory activity with IC50 value of 7.4 μM.

Five new guaiane dimers, xylopidimers A-E (1-5), were isolated and identified from the roots of Xylopia vielana. The structures of 1-5 were elucidated by spectroscopic analysis and further confirmed by single-crystal X-ray diffraction. On the basis of the results of single-crystal X-ray analysis, 1-5 showed different carbon skeletons. Among these compounds, the unique connecting patterns of 1 and 2 caused significant differences on their carbon skeletons, which have not been reported. Moreover, 3-5 were also three new guaiane dimers. Among these compounds, 4 exhibited potent inhibitory activity against the production of nitric oxide with an IC50 value of 4.59 μM in RAW264.7 cells stimulated by lipopolysaccharide.

Six rare guaiane-type sesquiterpene dimers xylopins A–F, having three different connecting modes through two direct C–C bonds, were isolated from the roots of Xylopia vielana. Their absolute configurations were established by NOESY analysis, Cu Kα X-ray crystallography, and experimental and calculated electronic circular dichroism spectra. Flow cytometry demonstrated the fact that compound 6 arrested the cell cycle at G2 phase and concentration-dependently induced apoptosis of DU145 cells. Furthermore, the EPT2-TGC cell model, zebrafish study and western blot analysis illustrated compound 6 could induce apoptosis by efficiently inhibiting the Wnt/β-catenin signaling pathway via decreasing the expression of β-catenin.

In this article, in order to study the lead-free perovskite CH3NH3SnI3 (MASnI3) reaction mechanism between perovskite surface molecules and gas molecules, we fabricated models for three different gas molecules adsorbing on an MASnI3 surface. First, the surface energies of seven low-index surfaces ((100), (010), (001), (110), (101), (011) and (111)) of orthorhombic MASnI3 were calculated by density functional theory (DFT). The results showed the (011) surface was the most stable among the seven low index surfaces by the PW91 method. Secondly, three stable configurations were sorted out from these adsorption models of different molecules (H2O, O2, N2) at six positions on the (011) surface. For H2O, O2 and N2 adsorption, the smallest adsorption energies were −1.931(934) eV, −0.134(67) eV and −0.049(523) eV, respectively. The stabilities of configurations for H2O adsorption were affected by the strong interaction of the H–I bond. However, for O2 adsorption, the Sn–O bond and charge transfer between the Sn atom and O atom mostly affected the stability of the configuration. We found that the MASnI3 surface under a N2 atmosphere maintained a higher stability than in the other two cases. In addition, we further confirmed that the mechanism of H2O adsorption was not the same as O2 and N2 molecular adsorption from the Mulliken population, energy band and electrical density of state calculations. These results indicated that the H–I bond and Sn–O bond mainly affect the Sn–I bond, leading to MASnI3 stability being worse in H2O and O2 environments, respectively, and performance in a N2 environment is more stable than in O2 and H2O environments. This investigation enhanced understanding of the degradation of perovskite and provided some suggestions for developing more stable lead-free perovskite solar cells and devices.

Two new sesquiterpenes ( 1 and 2 ), one new alkaloid ( 4 ), one new neolignan glycoside ( 14 ), together with 19 known compounds were isolated from the branches of Alangium barbatum . Their structures were established by spectroscopic analysis. The absolute configuration of 21 was determined for the first time by single-crystal X-ray diffraction analysis with Cu-Kα irradiation. Some of isolates were evaluated for their inhibitory effects on NO production in LPS-induced RAW264.7 macrophages. Compounds 1 , 3 and 9 at 10 μM concentrations exhibited mild inhibitory effects on NO production in the range of 25.0 to 32.4. Moreover, these compounds at 25 μM concentration were also found to mildly suppress NF-κB activation in TNF-α induced expression of NF-κB-Luc in Hela cells with inhibition percent in the range of 15.0 to 25.0%.

Caffeine is a major component of xanthine alkaloids and commonly consumed in many popular beverages. Due to its occasional side effects, reduction of caffeine in a natural way is of great importance and economic significance. Recent studies reveal that caffeine can be converted into non-stimulatory theacrine in the rare tea plant Camellia assamica var. kucha (Kucha), which involves oxidation at the C8 and methylation at the N9 positions of caffeine. However, the underlying molecular mechanism remains unclear. Here, we identify the theacrine synthase CkTcS from Kucha, which possesses novel N9-methyltransferase activity using 1,3,7-trimethyluric acid but not caffeine as a substrate, confirming that C8 oxidation takes place prior to N9-methylation. The crystal structure of the CkTcS complex reveals the key residues that are required for the N9-methylation, providing insights into how caffeine N-methyltransferases in tea plants have evolved to catalyze regioselective N-methylation through fine tuning of their active sites. These results may guide the future development of decaffeinated drinks., Kucha is a rare variety of tea tree that produces the non-stimulatory theacrine instead of caffeine. Here the authors show that theacrine synthase from Kucha has N9-methyltransferase activity resulting from amino acid substitutions that explain substrate specificity and could potentially guide production of caffeine-free tea.

The pyrolysis behaviors of foam patterns have critical infl uences on fl uid morphology and defect formation in Lost Foam Casting (LFC). The pyrolysis behaviors of expanded polystyrene (EPS) and styrenemethyl methacrylate (St-MMA) foams were compared using synchronous thermal analysis (STA), which was performed under argon atmosphere at different heating rates (from 10 to 40 K•min-1). The degradation heat was calculated by integrating DSC curves. Results show that the calculated degradation heat of St-MMA (605.28 J•g-1) was signifi cantly lower than that of EPS (706.71 J•g-1). Furthermore, the non-isothermal iso-conversional method was used to determine the pyrolysis apparent activation energies of EPS and St-MMA, and results show that the activation energy of St-MMA (200.36 kJ•mol-1) was apparently higher than that of EPS (167.92 kJ•mol-1). These calculated results indicate that the weight loss rate of EPS is greater than St-MMA in the pyrolysis process. In addition, the apparent activation energies at various pyrolysis stages demonstrate that the pyrolysis reactions of EPS and St-MMA may involve physical and chemical changes in the decomposition layer of the LFC process.

Characteristics of Hg0 re-emission in a wet flue gas desulfurization (WFGD) system were investigated on the basis of a bubble column. Five addition agents were used to inhibit Hg0 re-emission and improve removal of gaseous mercury. The results show that SO32– plays an important role in Hg0 re-emission in a WFGD system. Hg0 re-emission is intensified sharply in the presence of SO32– and further intensified with the increase of the SO32– concentration. Hg0 re-emission is strengthened at a higher temperature of desulfurization slurry. However, the removal efficiencies of both Hg2+ and total gaseous mercury decrease significantly with an increasing slurry temperature. The decreasing amplitude of total mercury removal efficiency is slightly higher than that of Hg2+. In addition, the re-emission rate of Hg0 declines first and then increases with an increasing pH value. A least Hg0 re-emission is observed at a pH value of 5.5. Fenton reagent, NaClO, K2S2O8, Na2S, and ethylenediaminetetraacetic acid (EDTA) can in...

One unusual metal complex of cadinane sesquiterpene alkaloid (1), one new cadinane sesquiterpene alkaloid (2) and two new neolignan glycosides (3-4) along with six known cadinane sesquiterpene derivatives (5-10), nineteen known phenolic glycosides (11-29) were isolated from the aerial parts of Alangium alpinum. Structures of new crystals of metal complex were characterized by X-Ray diffraction and ICP-AES analysis. Other new compounds were elucidated by combined use and detailed analysis of HR-ESIMS, 1D and 2D NMR and CD spectroscopic method. In addition, all isolated compounds were tested for their inhibitory effects against TNF-α induced NF-κB activation in Hela cells and NO production in RAW 264.7 macrophages.

Six new guaiane dimers, xyloplains A–F (1–6), with connecting patterns through two direct C–C bonds (C-1 to C-3′, C-2 to C-1′), were isolated from the roots of Xylopia vielana. Their structures were elucidated clearly using extensive analysis of 1D NMR and 2D NMR, combined with Cu-Kα X-ray diffraction and circular dichroism (CD) experiments. In additon, all of the isolates were tested for anti-inflammatory activity by measuring the amount of nitric oxide produced. To our delight, compounds 2 and 6 exhibited moderate inhibitory activity against the production of nitric oxide with IC50 value of 34.5 and 31.1 μM, respectively, in RAW264.7 cells stimulated by LPS.

Four unprecedented guaiane dimers, xylopsides A-D (1-4), were isolated and identified from the roots of Xylopia vielana. The structures of 1-4 were elucidated by spectroscopic analysis, Cu Kα X-ray crystallography and CD spectra. 1-4 showed two bridged pentacyclic skeletons between two guaiane-type sesquiterpenes, which were characterized as two different bridged ring systems. Among these compounds, 4 exhibited a moderate inhibitory activity against the production of nitric oxide with an IC50 value of 25.7 μM in RAW264.7 cells stimulated by LPS.

This work investigated the effects of fermented ginseng leaf (FGL) consumption on metabolites of muscular interstitial fluid, satellite cell-mediated muscle cell repair and gut microbiota in exercise-induced fatigue rats. First nano Fe3O4@glucose oxidase-assisted fermentation significantly increased the ginsenosides contents of Rh2 and Rg3. Furthermore, the levels of hypoxanthine and isoprostane significantly increased in fatigue rats compared with the control. Meanwhile, remarkable decline of bacterial diversity, abundances of Bacteroidaceae, Allobaculum and Akkermansia were found. However, FGL consumption ameliorated these biomarkers. Exhaustive Exercise significantly elevated the protein expression of MyHC-I and MyHC-II, and decreased fiber cross sectional areas. FGL significantly increased protein expression of Pax7 and MyoD1, and decreased gene expression of MyHC-I and MyHC-IIb. The levels of acetic acid, propionic acid, total short chain fatty acids, TNF-α and IL-10 significantly altered in fatigue rats, whilst FGL significantly ameliorate them. These findings suggested potential benefits of FGL for alleviating exercise-induced fatigue.

Chemo-dynamic therapy of anti-tumor nano-medicine relies on the continuous generation of toxic hydroxyl radical ( OH). 2,6-dimethoxy hydroquinone (DMHQ) and 2,6-dimethoxy-ρ-benzoquinone (DMBQ) are potential anti-tumor component in fermented wheat germ. To obtain a self-amplified nanoreactor and cascade cancer therapy, nano Fe3O4 was co-loaded with glucose oxidase and DMHQ + DMBQ. The nanoreactor produced endogenous H2O2 and DMHQ + DMBQ accelerated Fe3+/Fe2+ conversation, thus speeding up the generation of OH. Both in vitro and in vivo antitumor experiments demonstrated enhanced therapeutic efficacy of cancer. Furthermore, an in vitro vein model was used and the results showed that the abundances of stealth-related proteins such as Apolipoprotein B-100 on the surface of the nanoreactors increased in comparison with the nanoreactors without modification of DMHQ and DMBQ, and lower macrophage nonspecific uptake and the expression of inflammatory cytokines of macrophages were found. These findings substantially broaden the biomedical applications of naturally-derived antitumor molecules to nano-catalytic tumor therapy.

Three new monoterpene derivatives, named hemerolides A–C (1–3), one new phenol derivative hemeratrol A (4), along with thirteen known compounds (5–17) were isolated from the flowers of Hemerocallis minor Mill. The structures of the isolated compounds were determined by a combination of 1D and 2D NMR, HRESIMS, and CD spectroscopic data. All the isolates were evaluated their inhibitory activity against NF-κB activation in HeLa cells. Among them, compound 4 displayed a moderate inhibition of NF-κB activation with IC50 value of 41.7 μM.

An experimental research was carried out on formation characteristics of aerosol particles during the Wet Flue Gas Desulfurization (WFGD) process with different ammonia-based desulfurizers. Three desulfurizers of aqueous ammonia, ammonium sulfate, and ammonium sulfite were compared and influences of desulfurization operating conditions were investigated. The results revealed that numerous aerosol particles were produced during the desulfurization process for all three desulfurizers. In terms of the quantity of aerosol particles produced, the aqueous ammonia and ammonium sulfite took the first and second place, respectively. Ammonium sulfate produced the least aerosol particles, with submicron sizes for most cases. For all three desulfurizers, the production rate of aerosol particles increased with increasing liquid-to-gas ratio, pH value as well as the desulfurization liquid temperature; a higher concentration of SO2 in the flue gas resulted in more aerosol particles being generated at a lower pH value of...

Benzophenone-type UV filters (BP-UV filters) are frequently introduced into aquatic environment from several sources. The occurrence and fate of select BP-UV filters and their metabolites were investigated in this study. All target compounds were detected in water samples, except for 2, 3, 4-trihydroxybenzophenone (2, 3, 4-OH-BP). The concentration reached up 131ngL-1 for 5-benzoyl-4-hydroxy-2-ethoxybenzenesulfonic acid (BP-4), 30.0ngL-1 for 2-hydroxy-4-methoxybenzophenone (BP-3), and mean value of 158ngL-1 for benzophenone (BP). Concentrations of BP-UV filters were not related to recreational waters but with high population frequencies. In addition, five BP-UV filters, namely 2,2',4,4'-tetrahydroxybenzophenone (BP-2), 2,3,4-OH-BP, 2,4-dihydroxybenzophenone (BP-1), 4-hydroxybenzophenone (4-OH-BP) and BP were investigated for probable sources, and found that they originate from BP-3 metabolism. There is a similar source for BP-3, BP-4, BP-1, 4-OH-BP and BP. Environmental risk assessment (ERA) showed that risk quotients (RQs) of BP-4, BP-3 and BP were 2.7, 0.8 and 0.5, respectively.

Seven new guaiane-type sesquiterpene dimers vieloplains A-G, connecting patterns through three different direct C C bonds compounds 1–5 (C-3 to C-3′, C-4 to C-1′), compound 6 (C-2 to C-3′, C-4 to C-2′) and compound 7 (C-2 to C-1′, C-4 to C-2′) were isolated from the roots of Xylopia vielana. Their absolute configurations were established by NOESY analysis, the Cu Kα X-ray crystallographic the experiment circular dichroism (ECD) and the calculated ECD. Among them, only compound 6 showed a considerable cytotoxicity against DU145 cells with IC50 values of 9.5 μM. Flow cytometry analysis confirmed that 6 caused death of DU145 cells via apoptosis induction.

Six new dihydrobenzofuran lignans, named illiciumlignans A⿿F (compounds 1⿿6), along with 15 known compounds (7⿿21) were isolated from the branches and leaves of Illicium wardii. The structures of 1⿿6 were determined using a combination of 1D and 2D NMR, HR-ESI⿿-MS, and CD spectroscopic data. Illiciumlignan D (4) is the first reported dihydrobenzofuran lignan arabinofuranoside that is derivatized with the arabinofuranose moiety on C-9⿲. Compounds 1⿿21 were evaluated for cytotoxic activity against four human cancer cell lines. Compounds 8, 12 and 20 exhibited significant activity against human cancer cell lines (A549, SKOV3, HepG2 and HCT116), with IC50 values ranging from 2.7 to 14.9 μM.

Two new norlignans, dysosmanorlignans A and B ( 1–2 ); six new flavonoids, dysosmaflavones A–F ( 3–8 ); and 30 known compounds ( 9–38 ) were isolated from the roots of Dysosma versipellis . Their structures were determined by detailed analysis of MS and NMR spectroscopic data. Dysosmaflavones E and F both exhibited mild antibacterial activities against Streptococcus agalactiae , Pseudomonas aeruginosa , and Bacillus subtilis with MIC values ranging from 93.0 to 93.8 μg/mL.

Five new guaiane-type sesquiterpenoid dimers vielopsides A-E, connecting patterns through two direct C C bonds (C-2 to C-2′, C-4 to C-1′), were isolated from the roots of Xylopia vielana. Their absolute configurations were established by NOE analysis, the Cu Kα X-ray crystallographic and circular dichroism (CD) experiment. Among them, compound 5 showed moderate activity IC50 values of 33.8 μM on NO production in RAW 264.7 macrophages.

Growth arrest and DNA-damage-inducible protein 45 (Gadd45) family members have been implicated in DNA demethylation in vertebrates. However, it remained unclear how they contribute to the demethylation process. Here, we demonstrate that Gadd45a promotes active DNA demethylation through thymine DNA glycosylase (TDG) which has recently been shown to excise 5-formylcytosine (5fC) and 5-carboxylcytosine (5caC) generated in Ten-eleven-translocation (Tet)—initiated oxidative demethylation. The connection of Gadd45a with oxidative demethylation is evidenced by the enhanced activation of a methylated reporter gene in HEK293T cells expressing Gadd45a in combination with catalytically active TDG and Tet. Gadd45a interacts with TDG physically and increases the removal of 5fC and 5caC from genomic and transfected plasmid DNA by TDG. Knockout of both Gadd45a and Gadd45b from mouse ES cells leads to hypermethylation of specific genomic loci most of which are also targets of TDG and show 5fC enrichment in TDG-deficient cells. These observations indicate that the demethylation effect of Gadd45a is mediated by TDG activity. This finding thus unites Gadd45a with the recently defined Tet-initiated demethylation pathway.

Recently, the development of Src/Abl (c-Src/Bcr-Abl tyrosine kinases) dual inhibitors has attracted considerable attention from the research community for treatment of malignancies. In order to explore the different structural features impacting the Src and Abl inhibitory activities of N(9)-arenethenyl purines and to investigate the molecular mechanisms of ligand-receptor interactions, a molecular modeling study combining the three-dimensional quantitative structure-activity relationship (3D-QSAR), molecular docking and molecular dynamics (MD) simulations was performed. The obtained CoMFA (comparative molecular field analysis) models exhibited satisfactory internal and external predictability. The plots of the CoMFA fields could be used to investigate the structural differences between DFG-in (targeting the active enzyme conformation) and DFG-out (targeting the inactive enzyme conformation) inhibitors. The key amino acid residues were identified by docking studies, and the detailed binding modes of the compounds with different activities were determined by MD simulations. The binding free energies gave a good correlation with the experimental determined activities. In an energetic analysis, the MM-PBSA (molecular mechanics Poisson-Boltzmann surface) energy decomposition revealed that the van der Waals interactions were the major driving force for the binding of the DFG-in and DFG-out compounds to Src and Abl, especially the hydrophobic interactions between ligands and residues Ala403/380, Asp404/381, and Phe405/382 in DFG-out Src and Abl complexes. They also help to stabilize the DFG-out conformations. These results can offer useful references for designing novel potential DFG-in and DFG-out dual Src/Abl inhibitors.

Based on the data of the life cycle degradation of lithium ion batteries in Maryland University, this paper analyzes the life degradation process of lithium ion batteries and selects the empirical degradation model. A method for the prediction of lithium ion battery based on EKF / KF is proposed. The EKF algorithm is used to estimate the historical data. Then, the remaining useful life of the lithium ion battery is estimated based on the KF algorithm. The validity of the algorithm is verified by the lithium ion battery data of the University of Maryland, and the algorithm is evaluated by the MAE index.

Eight new γ-lactam alkaloids, hemerominors A-H (1-8), including two pair of epimers (1-4), together with six known compounds (9-14) were isolated from the roots of Hemerocallis minor Mill. The structures of 1-8 were established on the basis of extensive NMR studies and HR-MS measurements as well as comparison with literature data. The absolute configurations of 1-8 were determined by CD spectral analysis and modified Mosher's method. All of compounds were evaluated for their inhibitory effects against LPS-induced NO production in RAW264.7 macrophages. Among them, compound 13 exhibited moderate inhibitory activity against NO production and with IC50 value of 18.0 μM.

Hierarchical nanostructure Fe3O4/multi-walled carbon nanotubes (Fe3O4/MWCNTs) were prepared by solvothermal process using acid treated MWCNTs and iron acetylacetonate in ethylene glycol as reduction reagent. The materials were characterized using X-ray powder diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and Brunauer-Emmett-Teller (BET). The results showed that petal-like hierarchical Fe3O4 grew on MWCNTs and the Fe3O4 nanoparticles had diameters in the range of 55-110 nm. It was a facile approach to grow hierarchical nanoFe3O4.

In recent years, the development of dual or multi-targeted inhibitors has captured extensive attention of research for treating of malignancies. In this paper, three-dimensional quantitative structure-activity relationship and docking studies were performed on 87 pyrazolo[3,4-d]pyrimidines as dual Src/Abl inhibitors. The appropriate binding orientations and conformations of these compounds interacting with both Src and Abl kinases were revealed by docking studies, and the established optimum CoMFA models yielded q(2) =0.856, R(2) =0.966 for Src and q(2) =0.869, R(2) =0.974 for Abl, and the best CoMSIA models gave q(2) =0.877, R(2) =0.979 for Src and q(2) =0.885, R(2) =0.982 for Abl. Systemic external validations further confirm the satisfactory predictive power of these models, producing R(2) pred values of 0.872 and 0.865 for Src, 0.876 and 0.867 for Abl, r(2) m values of 0.832 and 0.928 for Src, 0.838 and 0.904 for Abl, respectively. In addition, through a comparison between 3D-QSAR contour maps and docking results, it is revealed that the hydrophobic and electrostatic interactions of compounds play significant roles for the inhibitory activity against both Src and Abl kinases. Some structural factors influencing the activities of these compounds were discussed in detail. The key amino acids impacting the receptor-ligand interactions have been identified. These theoretical results can offer useful references for designing novel potential dual Src/Abl inhibitors.

The development of selective lymphocyte-specific kinase (Lck) inhibitors has attracted much attention for the research of the treatment of T-cell mediated autoimmune and inflammatory diseases. In the present work, three-dimensional quantitative structure–activity relationship (3D-QSAR) analyses are performed on a novel series of 4-amino-6-benzimidazole-pyrimidines acting as Lck inhibitors. The established 3D-QSAR models show significant statistical quality and satisfactory predictive ability, with high q2 and R2 values: the comparative molecular field analysis (CoMFA) model (q2 = 0.802, R2 = 0.991), and the comparative molecular similarity indexes analysis (CoMSIA) model (q2 = 0.731, R2 = 0.982). The systemic external validation indicates that both CoMFA and CoMSIA models are quite robust and possess high predictive abilities with values of 0.881 and 0.877, values of 0.897 and 0.847, values of 0.897 and 0.850, and values of 0.897 and 0.854, respectively. Several key structural features accounting for the inhibitory activities of these compounds are discussed. Based on established models and design considerations, six new compounds with significantly improved activities are theoretically designed, which still await experimental confirmation and evaluation. These theoretical results may provide a useful reference for understanding the action mechanism and designing novel potential Lck inhibitors. © 2014 Wiley Periodicals, Inc.

Iron deficiency anemia (IDA) is the one of the most common nutritional problems and is encountered all over the world. This study analysed the effects of squid ink melanin–Fe (SM–Fe) on IDA in rats. Forty weanling SD male rats were used and thirty-two rats were fed an iron-deficient diet for 4 weeks. Then SM–Fe (dosages of iron is 6 mg kg−1 BW) was given to the IDA rats once a day for 3 weeks by intragastric administration, with FeCl3 and FeSO4 (dosages of iron is 6 mg kg−1 BW) as positive controls. While the IDA model group and the control group were administrated distilled deionized water each day for 3 weeks. The content of haemoglobin (Hb), serum iron (SI), total iron binding capacity (TIBC), serum ferritin (SF), transferrin receptor (sTfR), erythropoietin (EPO), and iron content in the liver and spleen were measured. The results showed that the content of Hb, SI, SF, EPO, iron content in the liver and spleen were significantly increased in the iron supplement groups (SM–Fe, FeCl3 and FeSO4) compared with the model group (P < 0.05), while TIBC and sTfR were significantly decreased in the iron supplement groups compared with the model group (P < 0.05). In comparison with the FeCl3 and FeSO4 groups, a higher bioavailability of iron and fewer side effects were observed in the SM–Fe group. The present study indicated that SM–Fe is an effective source of iron supplement for IDA rats and might be exploited as a new iron fortifier.

Chicoric acid, a natural phenolic acid, has been found to possess multiple biological properties. However, the antiobesity activity of chicoric acid remains unclear. In the present study, high-fat diet-induced obese C57BL/6J mice were used to investigate the antiobesity effect of chicoric acid in vivo. The results showed that chicoric acid significantly reduced body weight and lowered serum lipid parameters as well as homeostasis model assessment of insulin resistance (HOMA-IR) in HFD-fed mice. Meanwhile, chicoric acid appeared to attenuate high-fat diet-induced liver injury through decreasing hepatic steatosis and fatty acid synthase (FAS) levels, serum alanine aminotransferase (ALT) and aspartate aminotransferase (AST) levels and the Bax/Bcl-2 ratio in liver. Chicoric acid had a positive effect on obesity-associated hepatic inflammation via reducing TNF-α and IL-6 levels as well as protein expressions of COX-2 and p-JNK. High-fat diet mice treated with chicoric acid exhibited enhanced antioxidant defense system and reduced liver lipid peroxidation through increasing the activity of antioxidant enzymes and total antioxidant capacity (TAC) in liver. Furthermore, chicoric acid also regulated the levels of leptin and adiponectin as well as inhibited the protein expressions of peroxisome proliferator-activated receptor γ (PPARγ) and CCAAT/enhancer-binding protein α (C/EBPα). Therefore, chicoric acid efficiently inhibited obesity in high-fat diet-fed mice through attenuating insulin resistance, liver injury and inflammation, enhancing antioxidant defense system, and regulating the secretions of adipocytokines and adipogenesis-associated proteins.

Each enantiomer of the diastereomeric pair of bay-region dibenz[a,h]anthracene 3,4-diol-1,2-epoxides in which the benzylic 4-hydroxyl group and epoxide oxygen are either cis (isomer 1) or trans (isomer 2) were evaluated for mutagenic activity. In strains TA 98 and TA 100 of Salmonella typhimurium, the diol epoxide with (1S,2R,3S,4R) absolute configuration [(-)-diol epoxide-1] had the highest mutagenic activity. In Chinese hamster V-79 cells, the diol epoxide with (1R,2S,3S,4R) absolute configuration [(+)-diol epoxide-2] had the highest mutagenic activity. The (1R,2S,3R,4S) diol epoxide [(+)-diol epoxide-1] also had appreciable activity, whereas the other two bay-region diol epoxide enantiomers had very low activity. In tumor studies, the (1R,2S,3S,4R) enantiomer was the only diol epoxide isomer tested that had strong activity as a tumor initiator on mouse skin and in causing lung and liver tumors when injected into newborn mice. This stereoisomer was about one-third as active as the parent hydrocarbon, dibenz[a,h]anthracene as a tumor initiator on mouse skin; it was several-fold more active than dibenz[a,h]anthracene as a lung and liver carcinogen when injected into newborn mice. (-)-(3R,4R)-3β,4α-dihydroxy-3,4-dihydro-dibenz[a,h]anthracene [(-)-3,4-dihydrodiol] was slightly more active than dibenz[a,h]anthracene as a tumor initiator on mouse skin, whereas (+)-(3S,4S)-3α,4β-dihydroxy-3,4-dihydro-dibenz[a,h]anthracene [(+)-3,4-dihydrodiol] had only very weak activity. The present investigation and previous studies with the corresponding four possible enantiopure bay-region diol epoxide enantiomers/diastereomers of benzo[a]pyrene, benz[a]anthracene, chrysene, benzo[c]phenanthrene, dibenz[c,h]acridine, dibenz[a,h]acridine and dibenz[a,h]anthracene indicate that the bay-region diol epoxide enantiomer with [R,S,S,R] absolute stereochemistry has high tumorigenic activity on mouse skin and in newborn mice.

A phytochemical investigation on the roots of Campylotropis hirtella afforded nine new isoflavones (3-9, 12, 15), two new isoflavans (10 and 11), one new coumestan (1), and three new prenylated benzoic acid derivatives (2, 13, 14), together with twenty-four known compounds. Their structures were established by spectroscopic analysis and circular dichroism data. The isolated compounds were also evaluated for their antibacterial activities against Enterococcus faecalis, Salmonella gallinarum, Streptococcus suis, Streptococcus agalactiae, Aeromonas hydrophila, Pseudomonas aeruginosa, Bacillus subtilis, Riemerella anatipestifer, and Vibrio alginolyticus.